A0A5K4FAD1_SCHMA Loading...

Ras-associating domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 987 aa.

						>A0A5K4FAD1_SCHMA|A0A5K4FAD1
MDVDLSELDDWLGTLEELQLGLEKATNPNTGNFNPPKTPDRSSTHAHVNQIFLNQPPSPSLPTSTITTSQLHSHSSSTAYWPGNSLSPSSPNHSLHASQKANYPLSSSSVNDNSNNLNSNNLLSYATKPPASNCSSTRLLNGSNSKPQLPVHKQISAKSSNHVSFNLHDSQEATAEHDLSSLLRELEVVEEKMKELEQENNQFTRRYSLASSSNGKHSAYPVSEKPTVETSNSSVIVSDQPIISLSVPDRKGNVNKSNGYICAEWAAKLNHDEYDHTDNSRFLKKDSSPSPPPPPPAFLGAGDACASPTNSPPSSSYSPHSQLIQQSNGHSQIPQQSPRRNQPRSDESWSVMHANNPINGIKPHHLNSYDGNLSDKDREAMQLQRTTQVPVYNSQSYQNFETQKQLINELRGLYRNSSTKTQPKYSLQPNIEKQIYYPNPSPSSSPTPNYQANSNSYIPASSSDQHEIIKTNINNNNNNSYVRSKCSDVYRSYGSLTTNQGTNNSDPGIMKERDCEENITVNETGCWTPDQVFTRRDCLKANSLAARGGSDGLSNSMSPESSLSDKSGSEANELNRLHMSDSSESNQANKLVVRVFRPDRTTKAILIEHQMTAGEVATMMIEKNFLQPSVHLALVEKVPALKIERVFEEHDIVSDCILSWPTKSQNMIFFEERPDHFGLIESPDYWIGEETTTKQAFHSAEAIQTMLNNIDTSGFPEWRDYLFIRKPGDKSWSRRLCVLRSSGLYTSNKNKKSFSSTDLIRILVLDGPLKLYTTTGGWSRMRAPTPHGFAFKPYSAQDPSSTHVFCFCATDEKALRHWVSRLRVAKYGRQLLTDYHMALSRVHQLISLRTQLSINSNRSSNNMINLNLQPKSSFDYLSQSSSSIHVPTASSTRSLLTASSSPSVFPRGDPRYSENQHQQQHSCSRQSLHPNIQSSYSPRPVSPLSMRARMITNSEHPCLINMNHSSGQLKNQDKFPPSIHNSSDRYK
					

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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	40.2	Very low	49.4	Very low	223 Å²	223	122.8 Å²	122.8	100%	1.099	63%	0.631	S	S	*	*				0	73.8	0	-78.3	-179.4	175.1	0	0	105.8	V3	M1-V3 PolarHBondContact O-N 3.43Å
2	D	35.4	Very low	50.4	Low	140 Å²	140	120.8 Å²	120.8	75%	0.749	62%	0.621	S	S	*	*			trans	-106.1	75.4	-160.9	-53.8	-92.3	0	0	0	106.3
3	V	43.4	Very low	51.5	Low	111 Å²	111	114.3 Å²	114.3	67%	0.673	60%	0.602	S	S	*	*			trans	-76.1	132.8	171.8	-178.6	0	0	0	0	107.1	M1	M1-V3 PolarHBondContact O-N 3.43Å
4	D	43.1	Very low	52.8	Low	114 Å²	114	111.5 Å²	111.5	61%	0.61	59%	0.592	S	S	*	*			trans	-69.9	135.1	-165	-157.2	-5.2	0	0	0	111.4	S6 E7	D4-S6 WeakPolarHBondContact CB-OG 3.19Å; D4-S6 PolarHBondContact O-N 3.46Å; D4-S6 VanDerWaalsContact O-N 3.1Å; D4-S6 PolarHBondContact OD2-OG 3.22Å; D4-E7 PolarHBondContact O-N 3.3Å
5	L	49.4	Very low	53.4	Low	135 Å²	135	110.8 Å²	110.8	71%	0.707	59%	0.588	S	S	*	*	H	α-helix	trans	-67.9	-14.7	-172.5	-72.4	169.8	0	0	0	112.7	D9	L5-D9 PolarHBondContact O-N 3.2Å
6	S	49.2	Very low	54	Low	59 Å²	59	113 Å²	113	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-61	-46.1	171	45.1	0	0	0	0	113	D4 L8 D9 D10	D4-S6 WeakPolarHBondContact CB-OG 3.19Å; D4-S6 PolarHBondContact O-N 3.46Å; D4-S6 VanDerWaalsContact O-N 3.1Å; D4-S6 PolarHBondContact OD2-OG 3.22Å; S6-L8 PolarHBondContact O-N 3.11Å; S6-D9 PolarHBondContact O-N 3.3Å; S6-D9 VanDerWaalsContact O-N 3.16Å; S6-D10 PolarHBondContact O-N 3.31Å
7	E	47.5	Very low	54.8	Low	121 Å²	121	115.4 Å²	115.4	57%	0.565	60%	0.601	S	S	*	*	H	α-helix	trans	-63.2	-29.1	-179.3	-65.2	-168.3	145.4	0	0	112.2	D4 W11	D4-E7 PolarHBondContact O-N 3.3Å; E7-W11 WeakPolarHBondContact O-CB 3.33Å; E7-W11 PolarHBondContact O-N 2.8Å; E7-W11 VanDerWaalsContact O-N 3.1Å
8	L	50.8	Low	55.3	Low	106 Å²	106	115 Å²	115	56%	0.555	60%	0.599	S	S	*	*	H	α-helix	trans	-75.1	-34.3	178.4	-161.6	73.8	0	0	0	112.6	S6 L12	S6-L8 PolarHBondContact O-N 3.11Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.36Å; L8-L12 VanDerWaalsContact O-N 3.11Å
9	D	56.5	Low	55.5	Low	56 Å²	56	114.8 Å²	114.8	30%	0.299	60%	0.595	S	S	.	*	H	α-helix	trans	-66.7	-44.8	174.4	-103	-27.2	0	0	0	111	L5 S6 L12 G13 R491	L5-D9 PolarHBondContact O-N 3.2Å; S6-D9 PolarHBondContact O-N 3.3Å; S6-D9 VanDerWaalsContact O-N 3.16Å; D9-L12 PolarHBondContact O-N 3.43Å; D9-G13 PolarHBondContact O-N 3.2Å; D9-R491 IonicContact OD1-CZ 3.67Å; D9-R491 IonicContact OD1-NH1 2.79Å; D9-R491 PolarHBondContact OD1-NH1 2.94Å; D9-R491 IonicContact OD1-NH2 3.45Å; D9-R491 IonicContact OD2-CZ 2.88Å; D9-R491 IonicContact OD2-NH1 2.84Å; D9-R491 PolarHBondContact OD2-NH1 3.4Å; D9-R491 IonicContact OD2-NH2 3.65Å; D9-R491 PolarHBondContact OD2-NH2 2.87Å
10	D	60.6	Low	56	Low	120 Å²	120	113.8 Å²	113.8	64%	0.642	59%	0.59	S	S	*	*	H	α-helix	trans	-66.7	-37.5	177.8	-75.5	-15.9	0	0	0	112	S6 L12 G13 T14	S6-D10 PolarHBondContact O-N 3.31Å; D10-L12 VanDerWaalsContact C-N 3.34Å; D10-L12 PolarHBondContact O-N 2.85Å; D10-G13 PolarHBondContact O-N 3.27Å; D10-T14 WeakPolarHBondContact O-CB 3.38Å; D10-T14 PolarHBondContact O-N 3.35Å; D10-T14 PolarHBondContact O-OG1 3.18Å
11	W	66.9	Low	56.1	Low	166 Å²	166	110.1 Å²	110.1	63%	0.629	58%	0.58	S	S	*	*	H	α-helix	trans	-60.9	-39.6	170.6	-103.2	93.4	0	0	0	112.8	E7 L15	E7-W11 WeakPolarHBondContact O-CB 3.33Å; E7-W11 PolarHBondContact O-N 2.8Å; E7-W11 VanDerWaalsContact O-N 3.1Å; W11-L15 WeakPolarHBondContact O-CB 3.48Å; W11-L15 PolarHBondContact O-N 3.3Å
12	L	61.7	Low	57	Low	99 Å²	99	104.6 Å²	104.6	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-41.7	177.4	-76	167.5	0	0	0	112	L8 D9 D10 L15 E16	L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.36Å; L8-L12 VanDerWaalsContact O-N 3.11Å; D9-L12 PolarHBondContact O-N 3.43Å; D10-L12 VanDerWaalsContact C-N 3.34Å; D10-L12 PolarHBondContact O-N 2.85Å; L12-L15 WeakPolarHBondContact O-CB 3.4Å; L12-L15 PolarHBondContact O-N 2.94Å; L12-E16 PolarHBondContact O-N 3.19Å
13	G	65.3	Low	57.9	Low	36 Å²	36	102.2 Å²	102.2	37%	0.371	54%	0.539	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.2	0	0	0	0	0	112.5	D9 D10 L15 E16 E17	D9-G13 PolarHBondContact O-N 3.2Å; D10-G13 PolarHBondContact O-N 3.27Å; G13-L15 VanDerWaalsContact C-N 3.25Å; G13-L15 PolarHBondContact O-N 3.03Å; G13-E16 PolarHBondContact O-N 3.09Å; G13-E17 PolarHBondContact O-N 3.3Å
14	T	68.5	Low	58.5	Low	75 Å²	75	105.1 Å²	105.1	46%	0.46	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-36.2	176.1	-53.7	0	0	0	0	111.6	D10 E17 L18	D10-T14 WeakPolarHBondContact O-CB 3.38Å; D10-T14 PolarHBondContact O-N 3.35Å; D10-T14 PolarHBondContact O-OG1 3.18Å; T14-E17 PolarHBondContact O-N 2.83Å; T14-L18 HydrophobicContact CG2-CD1 4.35Å; T14-L18 WeakPolarHBondContact O-CG 3.31Å; T14-L18 PolarHBondContact O-N 3.33Å
15	L	63.2	Low	58.8	Low	101 Å²	101	103.3 Å²	103.3	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-69.4	-38.5	176.7	-154.3	78	0	0	0	112.4	W11 L12 G13 Q19	W11-L15 WeakPolarHBondContact O-CB 3.48Å; W11-L15 PolarHBondContact O-N 3.3Å; L12-L15 WeakPolarHBondContact O-CB 3.4Å; L12-L15 PolarHBondContact O-N 2.94Å; G13-L15 VanDerWaalsContact C-N 3.25Å; G13-L15 PolarHBondContact O-N 3.03Å; L15-Q19 WeakPolarHBondContact O-CB 3.35Å; L15-Q19 PolarHBondContact O-N 3.33Å
16	E	63	Low	58.4	Low	146 Å²	146	101.8 Å²	101.8	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-39.4	173.1	-75.6	-156.6	130.5	0	0	112.2	L12 G13 Q19 L20	L12-E16 PolarHBondContact O-N 3.19Å; G13-E16 PolarHBondContact O-N 3.09Å; E16-Q19 PolarHBondContact O-N 3.1Å; E16-L20 WeakPolarHBondContact O-CB 3.49Å; E16-L20 VanDerWaalsContact O-CG 3.27Å; E16-L20 WeakPolarHBondContact O-CG 3.43Å; E16-L20 PolarHBondContact O-N 2.84Å
17	E	66.1	Low	57.9	Low	154 Å²	154	105.2 Å²	105.2	72%	0.72	55%	0.553	S	S	*	*	H	α-helix	trans	-64	-42	174.9	-69.9	-150.6	138.8	0	0	112.4	G13 T14 L20 G21	G13-E17 PolarHBondContact O-N 3.3Å; T14-E17 PolarHBondContact O-N 2.83Å; E17-L20 PolarHBondContact O-N 2.97Å; E17-G21 PolarHBondContact O-N 3.04Å
18	L	64.2	Low	57.2	Low	108 Å²	108	104.6 Å²	104.6	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-64.9	-40	174.9	-73.9	170.4	0	0	0	112.2	T14 G21 L22	T14-L18 HydrophobicContact CG2-CD1 4.35Å; T14-L18 WeakPolarHBondContact O-CG 3.31Å; T14-L18 PolarHBondContact O-N 3.33Å; L18-G21 PolarHBondContact O-N 3.08Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.42Å
19	Q	60.4	Low	56.5	Low	112 Å²	112	106 Å²	106	52%	0.523	57%	0.568	S	S	.	*	H	α-helix	trans	-61.9	-44	174.1	-173.8	74.6	37.6	0	0	111.1	L15 E16 L22 E23	L15-Q19 WeakPolarHBondContact O-CB 3.35Å; L15-Q19 PolarHBondContact O-N 3.33Å; E16-Q19 PolarHBondContact O-N 3.1Å; Q19-L22 PolarHBondContact O-N 3.14Å; Q19-E23 PolarHBondContact O-N 3.26Å
20	L	64.3	Low	55.3	Low	93 Å²	93	109.8 Å²	109.8	49%	0.487	59%	0.593	S	S	.	*	H	α-helix	trans	-68.4	-32.3	176	-73.2	166.8	0	0	0	112.8	E16 E17 K24	E16-L20 WeakPolarHBondContact O-CB 3.49Å; E16-L20 VanDerWaalsContact O-CG 3.27Å; E16-L20 WeakPolarHBondContact O-CG 3.43Å; E16-L20 PolarHBondContact O-N 2.84Å; E17-L20 PolarHBondContact O-N 2.97Å; L20-K24 WeakPolarHBondContact O-CD 3.26Å; L20-K24 VanDerWaalsContact O-CG 3.27Å; L20-K24 WeakPolarHBondContact O-CG 3.4Å; L20-K24 PolarHBondContact O-N 3.32Å
21	G	58.6	Low	54	Low	37 Å²	37	106.9 Å²	106.9	38%	0.381	59%	0.591	S	S	.	*	H	α-helix	trans	-66.4	-45	172.1	0	0	0	0	0	112	E17 L18 K24 A25	E17-G21 PolarHBondContact O-N 3.04Å; L18-G21 PolarHBondContact O-N 3.08Å; G21-K24 PolarHBondContact O-N 3.49Å; G21-A25 WeakPolarHBondContact O-CB 3.22Å; G21-A25 PolarHBondContact O-N 3.37Å
22	L	58.8	Low	52.3	Low	107 Å²	107	107.2 Å²	107.2	56%	0.56	61%	0.606	S	S	*	*	H	α-helix	trans	-65.4	-46.3	175.7	-82.8	160.5	0	0	0	112.2	L18 Q19 K24 A25 T26	L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.42Å; Q19-L22 PolarHBondContact O-N 3.14Å; L22-K24 PolarHBondContact O-N 3.01Å; L22-A25 PolarHBondContact O-N 2.93Å; L22-T26 WeakPolarHBondContact O-CG2 3.47Å; L22-T26 PolarHBondContact O-N 3.38Å; L22-T26 PolarHBondContact O-OG1 2.97Å
23	E	53.9	Low	50.8	Low	91 Å²	91	112 Å²	112	43%	0.425	62%	0.623	S	S	.	*	H	α-helix	trans	-58.4	-33.3	176.1	-76.8	-171.3	-178.2	0	0	112.3	Q19 R780	Q19-E23 PolarHBondContact O-N 3.26Å; E23-R780 IonicContact OE2-NH1 3.46Å
24	K	56.9	Low	49.3	Very low	171 Å²	171	117.4 Å²	117.4	74%	0.743	64%	0.643	S	S	*	*	H	α-helix	trans	-73.1	-39.9	172.2	-72.9	168.8	-175.3	170.1	0	113.1	L20 G21 L22	L20-K24 WeakPolarHBondContact O-CD 3.26Å; L20-K24 VanDerWaalsContact O-CG 3.27Å; L20-K24 WeakPolarHBondContact O-CG 3.4Å; L20-K24 PolarHBondContact O-N 3.32Å; G21-K24 PolarHBondContact O-N 3.49Å; L22-K24 PolarHBondContact O-N 3.01Å
25	A	49	Very low	47.8	Very low	76 Å²	76	118.9 Å²	118.9	63%	0.628	65%	0.654	S	S	*	*	H	α-helix	trans	-72.9	-31.3	-177.9	0	0	0	0	0	113.4	G21 L22 N27	G21-A25 WeakPolarHBondContact O-CB 3.22Å; G21-A25 PolarHBondContact O-N 3.37Å; L22-A25 PolarHBondContact O-N 2.93Å; A25-N27 VanDerWaalsContact C-N 3.33Å; A25-N27 PolarHBondContact O-N 2.95Å
26	T	41.5	Very low	46.2	Very low	104 Å²	104	120.2 Å²	120.2	64%	0.638	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	2	-174.5	54.2	0	0	0	0	115.4	L22 P28	L22-T26 WeakPolarHBondContact O-CG2 3.47Å; L22-T26 PolarHBondContact O-N 3.38Å; L22-T26 PolarHBondContact O-OG1 2.97Å; T26-P28 WeakPolarHBondContact O-CD 3.27Å
27	N	38.3	Very low	44.8	Very low	130 Å²	130	123 Å²	123	70%	0.695	68%	0.678	S	S	*	*			trans	-125.5	57.3	-172	-150.7	0.4	0	0	0	115.4	A25 N29	A25-N27 VanDerWaalsContact C-N 3.33Å; A25-N27 PolarHBondContact O-N 2.95Å; N27-N29 PolarHBondContact O-N 3.43Å; N27-N29 VanDerWaalsContact O-N 3.14Å
28	P	32.6	Very low	43.5	Very low	108 Å²	108	121 Å²	121	70%	0.701	68%	0.677	S	S	*	*			trans	-84.2	79.6	-178.8	35.8	-36.3	0	0	0	112.3	T26	T26-P28 WeakPolarHBondContact O-CD 3.27Å
29	N	35.4	Very low	41.9	Very low	136 Å²	136	122 Å²	122	73%	0.727	69%	0.69	S	S	*	*			trans	-156.8	145.4	163.5	-116.1	-42.1	0	0	0	116.9	N27	N27-N29 PolarHBondContact O-N 3.43Å; N27-N29 VanDerWaalsContact O-N 3.14Å
30	T	31.9	Very low	40.6	Very low	136 Å²	136	123.8 Å²	123.8	83%	0.834	70%	0.703	S	S	*	*			trans	51.4	84.7	162.8	55.2	0	0	0	0	118.4
31	G	32.9	Very low	39	Very low	58 Å²	58	130.6 Å²	130.6	60%	0.598	72%	0.722	S	S	*	*			trans	-162.1	103.2	162.2	0	0	0	0	0	112.4	F33	G31-F33 PolarHBondContact O-N 3.05Å
32	N	31	Very low	37.7	Very low	174 Å²	174	134 Å²	134	93%	0.93	74%	0.741	S	S	*	*			trans	-70.7	87.7	177.5	-90.5	-0.6	0	0	0	111.2
33	F	30.6	Very low	36.5	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.873	76%	0.755	S	S	*	*			trans	-92.1	104.4	167.7	-88.4	-88.1	0	0	0	110.6	G31	G31-F33 PolarHBondContact O-N 3.05Å
34	N	33.4	Very low	35.4	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-59.9	139.5	164.6	-78.1	-50.9	0	0	0	109.7
35	P	37.3	Very low	34.2	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.7	141.1	174.1	28	-34.3	0	0	0	110.3	K37	P35-K37 PolarHBondContact O-N 2.76Å
36	P	31.1	Very low	33.4	Very low	129 Å²	129	137.8 Å²	137.8	84%	0.838	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.5	177.8	27.5	-33.3	0	0	0	109.8
37	K	33.5	Very low	33	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.9	144.6	171.9	-74.6	-172.1	174.4	-176	0	110.5	P35	P35-K37 PolarHBondContact O-N 2.76Å
38	T	37.6	Very low	32.7	Very low	112 Å²	112	141 Å²	141	69%	0.687	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.4	140.1	-178	42.1	0	0	0	0	112.3	D40	T38-D40 PolarHBondContact O-N 3.08Å
39	P	31.4	Very low	32.6	Very low	130 Å²	130	141.7 Å²	141.7	84%	0.844	79%	0.79	S	S	*	*			trans	-88.3	81.5	177.4	34.8	-33.6	0	0	0	111.1
40	D	33.6	Very low	32.5	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	79%	0.79	S	S	*	*			trans	-72.3	130.1	173.6	-85.3	-57.9	0	0	0	112	T38	T38-D40 PolarHBondContact O-N 3.08Å
41	R	30.4	Very low	32.5	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	78%	0.784	S	S	*	*			trans	-80.2	138.4	172.6	-74.3	169	154.2	-179	-7	109.9
42	S	30.4	Very low	32.5	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	79%	0.79	S	S	*	*				150	167.8	109.2	64	0	0	0	0	114.9
43	S	33.7	Very low	32.6	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	78%	0.776	S	S	*	*			trans	77.5	143.1	169.6	79.2	0	0	0	0	118
44	T	30.9	Very low	32.8	Very low	129 Å²	129	142.4 Å²	142.4	79%	0.791	77%	0.769	S	S	*	*			trans	-129.4	132.9	-165.6	46.8	0	0	0	0	111.5
45	H	32	Very low	33	Very low	193 Å²	193	143.9 Å²	143.9	89%	0.894	77%	0.771	S	S	*	*			trans	-153.1	125.1	155.6	-105.7	-91.4	0	0	0	106.6
46	A	32.7	Very low	33	Very low	79 Å²	79	144 Å²	144	65%	0.653	77%	0.772	S	S	*	*			cis	103.6	100.4	18.4	0	0	0	0	0	114.6
47	H	31.6	Very low	33.8	Very low	178 Å²	178	143.3 Å²	143.3	82%	0.824	77%	0.768	S	S	*	*			trans	67.8	155.2	160.6	-92	54.6	0	0	0	116.9
48	V	32.8	Very low	33.9	Very low	123 Å²	123	138.7 Å²	138.7	75%	0.745	76%	0.761	S	S	*	*			cis	-137.5	158.6	10.8	-166.6	0	0	0	0	112.1
49	N	31	Very low	34	Very low	124 Å²	124	139.1 Å²	139.1	66%	0.663	77%	0.765	S	S	*	*			trans	-47.3	172.5	157.3	-66.9	-59.3	0	0	0	115.3
50	Q	32.3	Very low	34.1	Very low	155 Å²	155	137.6 Å²	137.6	72%	0.724	76%	0.758	S	S	*	*			cis	-167.3	-173.1	-6.2	-120.3	-174.8	38.5	0	0	108.5
51	I	33	Very low	34.2	Very low	138 Å²	138	138.3 Å²	138.3	71%	0.708	76%	0.761	S	S	*	*				135.8	111	129.1	-70.7	-171.2	0	0	0	115.7
52	F	32.5	Very low	34.6	Very low	166 Å²	166	131.8 Å²	131.8	73%	0.728	75%	0.749	S	S	*	*			trans	54.7	155.6	140.9	-74.2	-119.7	0	0	0	121.2
53	L	32	Very low	34.6	Very low	123 Å²	123	132.1 Å²	132.1	64%	0.644	75%	0.747	S	S	*	*			cis	-168.2	173.8	-26.5	-150.4	71.7	0	0	0	109.1
54	N	36.3	Very low	34.4	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	74%	0.737	S	S	*	*			trans	69.1	121	165.4	-55.1	-21.1	0	0	0	117
55	Q	37.2	Very low	34.3	Very low	181 Å²	181	130 Å²	130	85%	0.846	73%	0.733	S	S	*	*			cis	70.5	148.5	34.8	-126.1	-159	54.2	0	0	113
56	P	37.8	Very low	34.3	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	73%	0.725	S	S	*	*			cis	-138.9	-139.2	8	52.2	-31.9	0	0	0	113.6
57	P	47.3	Very low	34.3	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	73%	0.728	S	S	*	*			trans	-133.1	-149	-145	40	-13.7	0	0	0	115.3
58	S	36.4	Very low	34.3	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	72%	0.724	S	S	*	*			trans	103.7	161.6	162.4	-45.2	0	0	0	0	117
59	P	38.9	Very low	34.4	Very low	121 Å²	121	125 Å²	125	79%	0.786	72%	0.717	S	S	*	*			cis	-135.9	179.3	-45.6	38	-21.8	0	0	0	114.4
60	S	32.7	Very low	34.8	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	73%	0.725	S	S	*	*			trans	-71.4	158.2	167.5	54.5	0	0	0	0	114.8
61	L	36.6	Very low	35	Very low	163 Å²	163	125.7 Å²	125.7	85%	0.853	72%	0.72	S	S	*	*			trans	-173.5	175.8	132.6	-115.8	75.1	0	0	0	109.8
62	P	38.7	Very low	35.2	Very low	100 Å²	100	127 Å²	127	65%	0.649	72%	0.723	S	S	*	*			trans	-141.7	-165.6	-137.3	43	-19.3	0	0	0	116.4
63	T	30	Very low	35.4	Very low	117 Å²	117	122.8 Å²	122.8	72%	0.718	71%	0.713	S	S	*	*			trans	64.8	126.5	144.1	-57.1	0	0	0	0	121.1
64	S	30.1	Very low	35.8	Very low	92 Å²	92	125.1 Å²	125.1	64%	0.643	72%	0.721	S	S	*	*			trans	86.2	129	145.3	67.8	0	0	0	0	123.3
65	T	28.6	Very low	35.9	Very low	115 Å²	115	123.6 Å²	123.6	71%	0.706	72%	0.721	S	S	*	*			trans	77.3	119.7	133.2	47	0	0	0	0	123.8
66	I	31.5	Very low	36	Very low	144 Å²	144	119.9 Å²	119.9	74%	0.738	72%	0.715	S	S	*	*				104.1	129.3	119.6	-80.1	170.4	0	0	0	121
67	T	32.2	Very low	36.1	Very low	114 Å²	114	120.2 Å²	120.2	70%	0.699	72%	0.719	S	S	*	*			trans	61.3	116.9	163.4	42.4	0	0	0	0	122.2
68	T	32.2	Very low	35.8	Very low	121 Å²	121	120.8 Å²	120.8	74%	0.742	72%	0.721	S	S	*	*				23.5	143.5	116.6	62.5	0	0	0	0	119.1
69	S	36	Very low	35.9	Very low	88 Å²	88	119.2 Å²	119.2	62%	0.615	71%	0.714	S	S	*	*				-168.5	144.9	53.9	-61.3	0	0	0	0	114.3
70	Q	37.4	Very low	35.9	Very low	178 Å²	178	122 Å²	122	83%	0.832	71%	0.711	S	S	*	*			trans	60.6	160.2	136.2	-65.3	-178.4	-15.7	0	0	119.3
71	L	36.8	Very low	35.8	Very low	116 Å²	116	126.3 Å²	126.3	61%	0.607	71%	0.712	S	S	*	*			cis	-155.3	148.4	1.5	-151.1	76.6	0	0	0	111
72	H	37.5	Very low	35.9	Very low	166 Å²	166	124.9 Å²	124.9	77%	0.769	71%	0.712	S	S	*	*			trans	66.7	153.6	150.2	-77.1	4.7	0	0	0	121.7
73	S	37.4	Very low	35.6	Very low	76 Å²	76	123.2 Å²	123.2	53%	0.531	71%	0.713	S	S	.	*			cis	-166.3	160.9	-11.7	49.2	0	0	0	0	114.4
74	H	39.9	Very low	35.7	Very low	173 Å²	173	125.4 Å²	125.4	80%	0.801	72%	0.72	S	S	*	*			trans	65.7	151.3	162.5	-50.4	-52.9	0	0	0	117.5
75	S	39.1	Very low	35.9	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	73%	0.727	S	S	*	*			cis	-177.2	156.5	-13.9	46.8	0	0	0	0	108.6
76	S	39.5	Very low	36.1	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	74%	0.737	S	S	*	*			cis	-173	166.1	-15.1	-85.2	0	0	0	0	108.7
77	S	39.5	Very low	36.3	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	74%	0.736	S	S	*	*			trans	70.2	146.7	169.4	-62.1	0	0	0	0	117.2
78	T	40	Very low	36.5	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	74%	0.737	S	S	*	*			cis	-179.4	150.3	-7.1	-93.3	0	0	0	0	105.2
79	A	39.2	Very low	36.8	Very low	71 Å²	71	126.6 Å²	126.6	59%	0.587	74%	0.739	S	S	*	*			cis	178.9	175.5	-14	0	0	0	0	0	105
80	Y	38.1	Very low	36.7	Very low	181 Å²	181	127.9 Å²	127.9	71%	0.71	75%	0.748	S	S	*	*			cis	-169.9	158.3	-20.2	-98	-27.4	0	0	0	103.7
81	W	31.9	Very low	36.8	Very low	189 Å²	189	124.4 Å²	124.4	72%	0.716	74%	0.741	S	S	*	*			cis	-146.7	154.5	-0.8	-94.3	126.3	0	0	0	106.6
82	P	37.8	Very low	36.9	Very low	132 Å²	132	125.5 Å²	125.5	86%	0.857	75%	0.747	S	S	*	*				-138.5	157.5	95.2	37.6	-25.4	0	0	0	113.6
83	G	33.1	Very low	37	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	75%	0.749	S	S	*	*			trans	-160.4	151.3	179.9	0	0	0	0	0	112
84	N	32.5	Very low	36.7	Very low	162 Å²	162	127 Å²	127	87%	0.866	76%	0.757	S	S	*	*			trans	-109.4	166.7	-169.4	-109.3	-13	0	0	0	113.2
85	S	32.9	Very low	36.5	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	76%	0.758	S	S	*	*			trans	67.9	136.4	154.8	70.2	0	0	0	0	121.3
86	L	34.2	Very low	36.2	Very low	174 Å²	174	129.7 Å²	129.7	91%	0.911	76%	0.762	S	S	*	*				-165.7	146.8	127.3	-102.5	162.9	0	0	0	109.1
87	S	34.1	Very low	35.9	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	76%	0.759	S	S	*	*			trans	-110.6	170.5	176.2	60.5	0	0	0	0	110.8
88	P	38.1	Very low	35.4	Very low	111 Å²	111	128.1 Å²	128.1	72%	0.721	76%	0.756	S	S	*	*				-152.1	179.8	101.3	39.6	-22.2	0	0	0	116.8
89	S	37.5	Very low	35.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	76%	0.758	S	S	*	*			trans	66.4	111.6	154.5	52.7	0	0	0	0	121.4
90	S	34	Very low	34.8	Very low	114 Å²	114	136 Å²	136	80%	0.797	77%	0.769	S	S	*	*			trans	-82.6	172.9	148	-39	0	0	0	0	110.1
91	P	40.3	Very low	34.6	Very low	106 Å²	106	131.5 Å²	131.5	69%	0.688	77%	0.769	S	S	*	*				-149.8	-165.5	75.4	40.2	-20	0	0	0	115
92	N	37.8	Very low	34.8	Very low	138 Å²	138	127.8 Å²	127.8	74%	0.738	76%	0.763	S	S	*	*			trans	78.6	146.6	167.8	-54.3	-19.5	0	0	0	117.9
93	H	38.9	Very low	34.7	Very low	175 Å²	175	131 Å²	131	81%	0.81	76%	0.76	S	S	*	*			cis	-163.7	159.9	-39.8	-128.9	-85.1	0	0	0	107.8
94	S	31.3	Very low	35.1	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	76%	0.759	S	S	*	*			trans	-60.1	145.5	177.6	179.6	0	0	0	0	114.6
95	L	36	Very low	35.2	Very low	157 Å²	157	132.7 Å²	132.7	82%	0.822	76%	0.758	S	S	*	*			trans	157	114.7	143.1	-83.6	162.9	0	0	0	107.9
96	H	33.1	Very low	35.5	Very low	173 Å²	173	132.4 Å²	132.4	80%	0.801	76%	0.756	S	S	*	*				73.2	113.3	68	-160.4	-92.4	0	0	0	115.4
97	A	33.2	Very low	35.6	Very low	79 Å²	79	129.1 Å²	129.1	65%	0.653	75%	0.748	S	S	*	*			trans	68.5	110.7	160.1	0	0	0	0	0	121.7
98	S	29.8	Very low	35.7	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	75%	0.745	S	S	*	*				82.9	149.4	129.2	-147	0	0	0	0	120.9
99	Q	34.4	Very low	35.5	Very low	178 Å²	178	128.6 Å²	128.6	83%	0.832	75%	0.746	S	S	*	*			trans	68.5	161.6	168.4	-51.5	-175.3	35.2	0	0	118.8
100	K	31.2	Very low	35.4	Very low	188 Å²	188	129 Å²	129	82%	0.817	74%	0.744	S	S	*	*			cis	-175.8	103	-43.2	-164.2	-178.3	-172.2	-174.4	0	109.6
101	A	35.1	Very low	35.3	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	75%	0.749	S	S	*	*			trans	-170.8	125.8	162.5	0	0	0	0	0	107.9
102	N	34.6	Very low	35.1	Very low	111 Å²	111	132.3 Å²	132.3	59%	0.594	75%	0.747	S	S	*	*				66	123.9	64.5	-60.8	16.7	0	0	0	110.5
103	Y	37.5	Very low	34.9	Very low	199 Å²	199	132.2 Å²	132.2	78%	0.78	75%	0.747	S	S	*	*			cis	-162.6	-176.9	39.6	-79.8	-71.4	0	0	0	110.6
104	P	40.1	Very low	34.5	Very low	103 Å²	103	128.4 Å²	128.4	67%	0.669	74%	0.74	S	S	*	*			cis	-132	163	-29.4	28.3	-8.3	0	0	0	115.2
105	L	35.1	Very low	34.7	Very low	160 Å²	160	130.3 Å²	130.3	84%	0.838	74%	0.742	S	S	*	*			trans	29.8	143.9	130.9	-47.9	170.6	0	0	0	120.5
106	S	38.7	Very low	34.4	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	74%	0.739	S	S	*	*			cis	-140.5	-165.7	22.2	-47.9	0	0	0	0	110.3
107	S	37.3	Very low	34.3	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	72%	0.719	S	S	*	*			cis	-167.4	157.5	1.3	15.8	0	0	0	0	107.2
108	S	36	Very low	34.2	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	72%	0.723	S	S	*	*			cis	-169.9	142.2	-13.8	46.4	0	0	0	0	109.4
109	S	34.4	Very low	34.1	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	71%	0.714	S	S	*	*			trans	49.9	137	143.7	67	0	0	0	0	120.8
110	V	35.1	Very low	34	Very low	120 Å²	120	124.2 Å²	124.2	73%	0.727	71%	0.709	S	S	*	*			cis	-141.7	151.4	8.4	-179.1	0	0	0	0	107.4	D112	V110-D112 HydrophobicContact CG1-CB 4.42Å
111	N	31.1	Very low	34	Very low	167 Å²	167	121.9 Å²	121.9	89%	0.893	71%	0.705	S	S	*	*			trans	-142.9	119.6	160.7	-162.8	22	0	0	0	109.1
112	D	35.6	Very low	33.6	Very low	122 Å²	122	124.7 Å²	124.7	65%	0.652	71%	0.707	S	S	*	*			trans	-126.8	114.2	-169.7	-128.3	-43.6	0	0	0	112.1	V110	V110-D112 HydrophobicContact CG1-CB 4.42Å
113	N	33.6	Very low	33.4	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	72%	0.718	S	S	*	*			trans	34.5	105.1	148.4	-71.6	-64.2	0	0	0	120.6
114	S	32	Very low	33	Very low	95 Å²	95	121 Å²	121	66%	0.664	71%	0.707	S	S	*	*				122.7	151.4	101.6	74.5	0	0	0	0	118.3
115	N	34	Very low	32.5	Very low	140 Å²	140	126.3 Å²	126.3	75%	0.749	72%	0.715	S	S	*	*			trans	63.7	105.7	161.5	-55.8	-47.4	0	0	0	117.1
116	N	31.3	Very low	32.3	Very low	143 Å²	143	123.2 Å²	123.2	77%	0.765	71%	0.712	S	S	*	*			cis	91.5	140	45	-165.6	25.5	0	0	0	113.7
117	L	30.2	Very low	32	Very low	73 Å²	73	125 Å²	125	38%	0.382	72%	0.718	S	S	.	*			trans	70.7	94.2	171.6	-66.3	168.1	0	0	0	121.3	A452	L117-A452 HydrophobicContact CD1-CB 3.42Å; L117-A452 VanDerWaalsContact CD1-CB 3.42Å
118	N	30.8	Very low	31.7	Very low	134 Å²	134	129.3 Å²	129.3	72%	0.717	72%	0.724	S	S	*	*				83.5	140.7	104.8	-157.1	26.1	0	0	0	122.1
119	S	29.2	Very low	31.9	Very low	82 Å²	82	130.4 Å²	130.4	57%	0.573	73%	0.729	S	S	*	*			trans	83.1	140.9	150.5	79.9	0	0	0	0	121.5
120	N	32.3	Very low	32	Very low	134 Å²	134	131.2 Å²	131.2	72%	0.717	73%	0.732	S	S	*	*			trans	72	113	149.3	-57.9	-27.3	0	0	0	121.5
121	N	29.6	Very low	31.8	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	74%	0.737	S	S	*	*				73.8	137.7	125.8	-68.9	-14.7	0	0	0	122.9
122	L	28.2	Very low	31.9	Very low	144 Å²	144	128 Å²	128	75%	0.754	73%	0.733	S	S	*	*			trans	59.4	113.7	148.1	-88.8	112.1	0	0	0	120.6
123	L	29.7	Very low	31.6	Very low	156 Å²	156	129.9 Å²	129.9	82%	0.817	74%	0.743	S	S	*	*			trans	152.5	119.6	138.3	-102	57.8	0	0	0	106.4
124	S	28.8	Very low	31.5	Very low	78 Å²	78	129 Å²	129	55%	0.545	75%	0.747	S	S	.	*			cis	67.2	132.5	10.9	86.5	0	0	0	0	117.4
125	Y	29.7	Very low	31.5	Very low	214 Å²	214	129.4 Å²	129.4	84%	0.839	75%	0.75	S	S	*	*			trans	69.8	91.7	169.4	-59.1	-70.6	0	0	0	120.9
126	A	30.5	Very low	31.3	Very low	94 Å²	94	127.6 Å²	127.6	78%	0.777	75%	0.748	S	S	*	*				50.1	107.2	112.7	0	0	0	0	0	120
127	T	32.6	Very low	31.2	Very low	142 Å²	142	126.5 Å²	126.5	87%	0.871	75%	0.747	S	S	*	*			trans	-93.5	107.5	166.3	41.1	0	0	0	0	112.4
128	K	32.2	Very low	31.3	Very low	198 Å²	198	133.8 Å²	133.8	86%	0.861	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-82.6	138.5	163.7	-73.1	-178.5	177	178.6	0	111.1
129	P	39	Very low	31.3	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-82.3	158.3	147.4	34	-29.7	0	0	0	110.4
130	P	36.2	Very low	31.4	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix		-98.9	171.9	-99.6	34.4	-39.5	0	0	0	114.9
131	A	31.1	Very low	31.4	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-86.1	148.4	174.5	0	0	0	0	0	112.7
132	S	33.9	Very low	31.6	Very low	116 Å²	116	134 Å²	134	81%	0.811	78%	0.779	S	S	*	*			trans	-141.9	71.5	165.4	50.2	0	0	0	0	111.5	C134	S132-C134 PolarHBondContact O-N 3.38Å
133	N	29.2	Very low	31.9	Very low	162 Å²	162	132 Å²	132	87%	0.866	78%	0.777	S	S	*	*			trans	-84.6	96.6	166.3	-99.6	-3.4	0	0	0	110
134	C	31.8	Very low	32.1	Very low	120 Å²	120	132 Å²	132	81%	0.811	78%	0.778	S	S	*	*			trans	-138.7	107.9	154.1	-83.4	0	0	0	0	106.9	S132	S132-C134 PolarHBondContact O-N 3.38Å
135	S	30.9	Very low	32.4	Very low	103 Å²	103	134 Å²	134	72%	0.72	79%	0.792	S	S	*	*				69.8	104.3	70.4	-62.3	0	0	0	0	113.2
136	S	31.3	Very low	32.9	Very low	102 Å²	102	132 Å²	132	71%	0.713	79%	0.787	S	S	*	*			trans	69.4	95.5	140.2	-55.9	0	0	0	0	120.6
137	T	28.7	Very low	33.3	Very low	120 Å²	120	133.1 Å²	133.1	74%	0.736	79%	0.786	S	S	*	*				69.4	156.8	127	68.9	0	0	0	0	120.8
138	R	31.8	Very low	33.4	Very low	226 Å²	226	133.3 Å²	133.3	85%	0.853	78%	0.778	S	S	*	*			trans	74.2	147.2	167.3	-56.2	-175	-171.8	-113.7	0	115.1
139	L	29.9	Very low	33.5	Very low	134 Å²	134	130.4 Å²	130.4	70%	0.702	77%	0.771	S	S	*	*			cis	175.3	149.7	-32.6	-115.6	172.2	0	0	0	105.2
140	L	32.4	Very low	33.4	Very low	140 Å²	140	130.8 Å²	130.8	73%	0.733	77%	0.773	S	S	*	*			trans	68.1	155.2	167	-52.7	151.4	0	0	0	114.3
141	N	32.2	Very low	33.2	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	77%	0.769	S	S	*	*			cis	-155.9	152.2	-18.6	-126.3	-0.7	0	0	0	111.6
142	G	32.9	Very low	33.3	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	77%	0.766	S	S	*	*			trans	73.8	163.4	158.3	0	0	0	0	0	117.4
143	S	36.1	Very low	33.5	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	77%	0.767	S	S	*	*			cis	-163.7	138	-12.8	53.5	0	0	0	0	112.2
144	N	33.9	Very low	33.7	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	76%	0.761	S	S	*	*			trans	67.5	147.1	159	-54.4	-20.4	0	0	0	117.1
145	S	34	Very low	34	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	76%	0.763	S	S	*	*			cis	-153.6	157	-2.9	30.6	0	0	0	0	113.1
146	K	39.4	Very low	34.1	Very low	173 Å²	173	140 Å²	140	75%	0.752	77%	0.767	S	S	*	*			trans	-80.4	-175.2	170.5	-98.9	-177.8	178.1	-172.3	0	111.8
147	P	40.3	Very low	34.1	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	77%	0.768	S	S	*	*			cis	-121.9	170	13.9	11.3	17	0	0	0	115
148	Q	34.5	Very low	34.5	Very low	147 Å²	147	143.7 Å²	143.7	69%	0.687	78%	0.777	S	S	*	*			cis	86.9	107.4	43.6	-156.6	177.6	-41.2	0	0	112.9
149	L	34	Very low	34.5	Very low	137 Å²	137	138.8 Å²	138.8	72%	0.717	78%	0.777	S	S	*	*				60.9	129.2	76.9	-99.8	168.1	0	0	0	115.7	V151	L149-V151 HydrophobicContact CD2-CG2 4.06Å
150	P	36.3	Very low	34.8	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	78%	0.778	S	S	*	*				-149.7	-168	107.1	41.2	-24.1	0	0	0	115.8
151	V	31.8	Very low	34.8	Very low	120 Å²	120	137.6 Å²	137.6	73%	0.727	78%	0.78	S	S	*	*			trans	-142.4	165.3	-171.5	-172.2	0	0	0	0	110.9	L149	L149-V151 HydrophobicContact CD2-CG2 4.06Å
152	H	34.1	Very low	35	Very low	168 Å²	168	139.1 Å²	139.1	78%	0.778	78%	0.782	S	S	*	*			trans	93.7	118.8	146.8	-120.1	-69.1	0	0	0	121.9
153	K	38	Very low	35.2	Very low	189 Å²	189	140.3 Å²	140.3	82%	0.822	78%	0.776	S	S	*	*			trans	170	120.8	139.2	-93.1	160.8	-175.5	179.6	0	107.7
154	Q	32.5	Very low	35.2	Very low	162 Å²	162	140.2 Å²	140.2	76%	0.757	78%	0.775	S	S	*	*				74.2	109.9	57.5	-170.4	-172.1	23.3	0	0	113.6
155	I	38	Very low	35.4	Very low	167 Å²	167	141.1 Å²	141.1	86%	0.856	77%	0.772	S	S	*	*			trans	-171.4	144.2	150.3	-103	153.9	0	0	0	112.5
156	S	34.7	Very low	35.6	Very low	114 Å²	114	140 Å²	140	80%	0.797	76%	0.756	S	S	*	*			trans	26.5	128.6	161.2	-160.3	0	0	0	0	123.6
157	A	31.4	Very low	35.6	Very low	89 Å²	89	138 Å²	138	74%	0.736	75%	0.753	S	S	*	*			trans	-54.2	157.5	165.3	0	0	0	0	0	117.5
158	K	36.9	Very low	35.9	Very low	212 Å²	212	139.3 Å²	139.3	92%	0.922	75%	0.749	S	S	*	*			trans	-152.3	153.1	137.1	-109.1	168.2	-175.8	176.6	0	109.8
159	S	32	Very low	36.5	Very low	122 Å²	122	136.5 Å²	136.5	85%	0.853	74%	0.739	S	S	*	*			trans	-82.3	136.9	-175.2	-175.3	0	0	0	0	112.4
160	S	34.5	Very low	37	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	73%	0.729	S	S	*	*			trans	-158.6	123.4	151.3	-165.7	0	0	0	0	111.5
161	N	34.1	Very low	37.6	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	72%	0.719	S	S	*	*			trans	3.7	106.3	162.4	-56	-13.2	0	0	0	118.2	V163	N161-V163 PolarHBondContact O-N 3.01Å
162	H	35.9	Very low	38.6	Very low	182 Å²	182	134.1 Å²	134.1	84%	0.843	71%	0.713	S	S	*	*			trans	-81.5	108	162.8	-130.8	-78	0	0	0	109.4	S164	H162-S164 PolarHBondContact O-N 3.33Å
163	V	37.5	Very low	39.7	Very low	95 Å²	95	128.7 Å²	128.7	58%	0.576	70%	0.697	S	S	*	*			trans	-81.7	111.1	167.8	178.1	0	0	0	0	108.1	N161 F165	N161-V163 PolarHBondContact O-N 3.01Å; V163-F165 HydrophobicContact CB-CD2 4.47Å; V163-F165 HydrophobicContact CB-CE2 4.03Å; V163-F165 HydrophobicContact CG1-CD2 4.01Å; V163-F165 HydrophobicContact CG1-CE1 4.32Å; V163-F165 HydrophobicContact CG1-CE2 3.71Å; V163-F165 HydrophobicContact CG1-CG 4.44Å; V163-F165 HydrophobicContact CG1-CZ 3.89Å; V163-F165 PolarHBondContact O-N 3.02Å
164	S	35.5	Very low	41.3	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	68%	0.682	S	S	*	*			trans	-79	102.1	170.3	-65.8	0	0	0	0	109.2	H162 N166	H162-S164 PolarHBondContact O-N 3.33Å; S164-N166 PolarHBondContact O-N 3.46Å
165	F	36.9	Very low	43	Very low	177 Å²	177	118.7 Å²	118.7	78%	0.776	67%	0.669	S	S	*	*			trans	-73.8	106.1	172.2	-71.5	-88.5	0	0	0	109.9	V163 L167	V163-F165 HydrophobicContact CB-CD2 4.47Å; V163-F165 HydrophobicContact CB-CE2 4.03Å; V163-F165 HydrophobicContact CG1-CD2 4.01Å; V163-F165 HydrophobicContact CG1-CE1 4.32Å; V163-F165 HydrophobicContact CG1-CE2 3.71Å; V163-F165 HydrophobicContact CG1-CG 4.44Å; V163-F165 HydrophobicContact CG1-CZ 3.89Å; V163-F165 PolarHBondContact O-N 3.02Å; F165-L167 PolarHBondContact O-N 3.4Å; F165-L167 VanDerWaalsContact O-N 3.11Å
166	N	39.8	Very low	44.6	Very low	95 Å²	95	116.9 Å²	116.9	51%	0.508	66%	0.657	S	S	.	*			trans	-69.7	102.9	170	-77.8	-9.5	0	0	0	109.6	S164 H168 D169	S164-N166 PolarHBondContact O-N 3.46Å; N166-H168 PolarHBondContact O-N 3.27Å; N166-D169 HydrophobicContact CB-CB 4.13Å; N166-D169 WeakPolarHBondContact CB-OD1 3.46Å; N166-D169 WeakPolarHBondContact CB-OD2 3.48Å; N166-D169 PolarHBondContact ND2-OD2 2.72Å
167	L	39.7	Very low	46.8	Very low	131 Å²	131	117.7 Å²	117.7	69%	0.686	65%	0.648	S	S	*	*	H	α-helix	trans	-71	-15.8	-178.5	-145	79.9	0	0	0	113.5	F165	F165-L167 PolarHBondContact O-N 3.4Å; F165-L167 VanDerWaalsContact O-N 3.11Å
168	H	46.3	Very low	49	Very low	144 Å²	144	117.7 Å²	117.7	67%	0.667	64%	0.636	S	S	*	*	H	α-helix	trans	-74.9	-52.7	173.4	-88.5	11.8	0	0	0	111.9	N166 S170 Q171 E172	N166-H168 PolarHBondContact O-N 3.27Å; H168-S170 PolarHBondContact O-N 3.09Å; H168-Q171 WeakPolarHBondContact O-CA 3.38Å; H168-Q171 PolarHBondContact O-N 3.26Å; H168-E172 PolarHBondContact O-N 3.07Å
169	D	46.5	Very low	51.1	Low	88 Å²	88	112.6 Å²	112.6	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-52.7	-34.2	-177	-47.5	11.2	0	0	0	111.9	N166 A173	N166-D169 HydrophobicContact CB-CB 4.13Å; N166-D169 WeakPolarHBondContact CB-OD1 3.46Å; N166-D169 WeakPolarHBondContact CB-OD2 3.48Å; N166-D169 PolarHBondContact ND2-OD2 2.72Å; D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.36Å; D169-A173 VanDerWaalsContact O-N 3.09Å
170	S	45.5	Very low	53.5	Low	75 Å²	75	109.8 Å²	109.8	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-75.7	-33.2	176.1	-56.9	0	0	0	0	114.2	H168 T174	H168-S170 PolarHBondContact O-N 3.09Å; S170-T174 PolarHBondContact O-N 3.05Å; S170-T174 PolarHBondContact O-OG1 3.38Å
171	Q	48.5	Very low	55.5	Low	131 Å²	131	107 Å²	107	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-73.7	-38.4	174.1	-71.6	-166.4	-86.2	0	0	111.3	H168 T174 A175	H168-Q171 WeakPolarHBondContact O-CA 3.38Å; H168-Q171 PolarHBondContact O-N 3.26Å; Q171-T174 PolarHBondContact O-N 3.24Å; Q171-A175 PolarHBondContact O-N 3.14Å
172	E	52.6	Low	57.7	Low	128 Å²	128	104.8 Å²	104.8	60%	0.598	57%	0.567	S	S	*	*	H	α-helix	trans	-64.7	-49.9	177.7	-164.3	156.8	-151.2	0	0	110.7	H168 T174 A175 E176	H168-E172 PolarHBondContact O-N 3.07Å; E172-T174 VanDerWaalsContact C-N 3.26Å; E172-T174 PolarHBondContact O-N 3.46Å; E172-A175 PolarHBondContact O-N 3.05Å; E172-A175 VanDerWaalsContact O-N 3.08Å; E172-E176 PolarHBondContact O-N 2.88Å
173	A	56.1	Low	59.9	Low	54 Å²	54	101 Å²	101	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-61.3	-29.5	175.1	0	0	0	0	0	114.1	D169 H177	D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.36Å; D169-A173 VanDerWaalsContact O-N 3.09Å; A173-H177 WeakPolarHBondContact O-CB 3.28Å; A173-H177 PolarHBondContact O-N 3.33Å; A173-H177 VanDerWaalsContact O-N 3.16Å
174	T	72	Confident	62.2	Low	80 Å²	80	104.3 Å²	104.3	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-69.8	-44.9	173.5	-54.7	0	0	0	0	110.5	S170 Q171 E172 E176 H177 D178	S170-T174 PolarHBondContact O-N 3.05Å; S170-T174 PolarHBondContact O-OG1 3.38Å; Q171-T174 PolarHBondContact O-N 3.24Å; E172-T174 VanDerWaalsContact C-N 3.26Å; E172-T174 PolarHBondContact O-N 3.46Å; T174-E176 PolarHBondContact O-N 2.95Å; T174-H177 PolarHBondContact O-N 3.16Å; T174-D178 PolarHBondContact O-N 2.92Å
175	A	67.8	Low	64.2	Low	60 Å²	60	105 Å²	105	50%	0.496	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-36.3	177.9	0	0	0	0	0	112.9	Q171 E172 L179	Q171-A175 PolarHBondContact O-N 3.14Å; E172-A175 PolarHBondContact O-N 3.05Å; E172-A175 VanDerWaalsContact O-N 3.08Å; A175-L179 VanDerWaalsContact O-CB 3.27Å; A175-L179 WeakPolarHBondContact O-CB 3.38Å; A175-L179 PolarHBondContact O-N 3.41Å
176	E	72.4	Confident	66.3	Low	129 Å²	129	102 Å²	102	60%	0.603	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-39.4	172.3	-71.5	-172.4	146.2	0	0	112.1	E172 T174 S180	E172-E176 PolarHBondContact O-N 2.88Å; T174-E176 PolarHBondContact O-N 2.95Å; E176-S180 VanDerWaalsContact O-CB 3.29Å; E176-S180 WeakPolarHBondContact O-CB 3.44Å; E176-S180 PolarHBondContact O-N 3.27Å; E176-S180 PolarHBondContact O-OG 3.35Å
177	H	81	Confident	68.3	Low	131 Å²	131	103.5 Å²	103.5	61%	0.606	54%	0.542	S	S	*	.	H	α-helix	trans	-66.6	-46.8	176.1	-178.1	-82.5	0	0	0	112	A173 T174 L179 S180 S181	A173-H177 WeakPolarHBondContact O-CB 3.28Å; A173-H177 PolarHBondContact O-N 3.33Å; A173-H177 VanDerWaalsContact O-N 3.16Å; T174-H177 PolarHBondContact O-N 3.16Å; H177-L179 PolarHBondContact O-N 3.28Å; H177-S180 WeakPolarHBondContact O-CB 3.47Å; H177-S180 PolarHBondContact O-N 3.09Å; H177-S181 PolarHBondContact O-N 2.94Å
178	D	78.3	Confident	70.4	Confident	90 Å²	90	101.4 Å²	101.4	48%	0.481	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-41.8	178.7	-69.2	-12.3	0	0	0	111.6	T174 S180 S181 L182	T174-D178 PolarHBondContact O-N 2.92Å; D178-S180 VanDerWaalsContact C-N 3.34Å; D178-S180 PolarHBondContact O-N 3.49Å; D178-S181 PolarHBondContact O-N 2.99Å; D178-L182 PolarHBondContact O-N 2.82Å
179	L	80.3	Confident	71.8	Confident	104 Å²	104	98.6 Å²	98.6	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.2	-177.9	63.1	0	0	0	111.9	A175 H177 S181 L182 L183	A175-L179 VanDerWaalsContact O-CB 3.27Å; A175-L179 WeakPolarHBondContact O-CB 3.38Å; A175-L179 PolarHBondContact O-N 3.41Å; H177-L179 PolarHBondContact O-N 3.28Å; L179-S181 VanDerWaalsContact C-N 3.32Å; L179-S181 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 2.96Å; L179-L183 HydrophobicContact CG-CD1 4.3Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.16Å
180	S	81.4	Confident	73.2	Confident	64 Å²	64	99.8 Å²	99.8	45%	0.448	53%	0.53	S	S	.	.	H	α-helix	trans	-66.9	-31.1	176.6	-60.7	0	0	0	0	112.8	E176 H177 D178 R184	E176-S180 VanDerWaalsContact O-CB 3.29Å; E176-S180 WeakPolarHBondContact O-CB 3.44Å; E176-S180 PolarHBondContact O-N 3.27Å; E176-S180 PolarHBondContact O-OG 3.35Å; H177-S180 WeakPolarHBondContact O-CB 3.47Å; H177-S180 PolarHBondContact O-N 3.09Å; D178-S180 VanDerWaalsContact C-N 3.34Å; D178-S180 PolarHBondContact O-N 3.49Å; S180-R184 PolarHBondContact O-N 3.27Å
181	S	77.7	Confident	74.9	Confident	45 Å²	45	102 Å²	102	32%	0.315	53%	0.532	S	S	.	.	H	α-helix	trans	-69.5	-48.6	172.4	-160.3	0	0	0	0	111	H177 D178 L179 L183 R184 E185	H177-S181 PolarHBondContact O-N 2.94Å; D178-S181 PolarHBondContact O-N 2.99Å; L179-S181 VanDerWaalsContact C-N 3.32Å; L179-S181 PolarHBondContact O-N 3.48Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.94Å; S181-R184 PolarHBondContact O-N 3.43Å; S181-R184 VanDerWaalsContact O-N 3.1Å; S181-E185 PolarHBondContact O-N 3Å; S181-E185 PolarHBondContact OG-OE1 3.36Å
182	L	80.5	Confident	76.2	Confident	99 Å²	99	101.8 Å²	101.8	52%	0.518	53%	0.529	S	S	.	.	H	α-helix	trans	-60.2	-37.9	178.2	-79.3	167.2	0	0	0	113.2	D178 L179 E185 L186	D178-L182 PolarHBondContact O-N 2.82Å; L179-L182 PolarHBondContact O-N 2.96Å; L182-E185 PolarHBondContact O-N 2.86Å; L182-L186 WeakPolarHBondContact O-CG 3.34Å; L182-L186 PolarHBondContact O-N 3.13Å
183	L	82.3	Confident	76.8	Confident	103 Å²	103	100.9 Å²	100.9	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-63.9	-39.8	174.6	-74.9	169.2	0	0	0	112.1	L179 S181 L186 E187	L179-L183 HydrophobicContact CG-CD1 4.3Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.16Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.94Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-E187 PolarHBondContact O-N 3.08Å
184	R	84.4	Confident	77.8	Confident	163 Å²	163	102.7 Å²	102.7	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-70.2	-36.3	176.7	-167.3	-179.1	-61.6	140.4	6.8	112.5	S180 S181 L186 E187 V188	S180-R184 PolarHBondContact O-N 3.27Å; S181-R184 PolarHBondContact O-N 3.43Å; S181-R184 VanDerWaalsContact O-N 3.1Å; R184-L186 VanDerWaalsContact C-N 3.35Å; R184-E187 PolarHBondContact O-N 3.23Å; R184-V188 WeakPolarHBondContact O-CG2 3.21Å; R184-V188 PolarHBondContact O-N 3.49Å; R184-V188 VanDerWaalsContact O-N 3.11Å
185	E	79.4	Confident	77.9	Confident	113 Å²	113	103.9 Å²	103.9	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-39.6	173	-73.9	170.7	-145.1	0	0	111.6	S181 L182 V188 V189	S181-E185 PolarHBondContact O-N 3Å; S181-E185 PolarHBondContact OG-OE1 3.36Å; L182-E185 PolarHBondContact O-N 2.86Å; E185-V188 PolarHBondContact O-N 2.96Å; E185-V189 WeakPolarHBondContact O-CG2 3.33Å; E185-V189 PolarHBondContact O-N 2.96Å; E185-V189 VanDerWaalsContact O-N 3.09Å
186	L	79.7	Confident	77.8	Confident	114 Å²	114	105.2 Å²	105.2	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-65.8	-39.9	173.6	-74.4	168.5	0	0	0	112.6	L182 L183 R184 V189 E190	L182-L186 WeakPolarHBondContact O-CG 3.34Å; L182-L186 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 2.91Å; R184-L186 VanDerWaalsContact C-N 3.35Å; L186-V189 PolarHBondContact O-N 2.69Å; L186-E190 PolarHBondContact O-N 3.31Å
187	E	82.8	Confident	77.5	Confident	128 Å²	128	103.1 Å²	103.1	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-60.9	-43.8	176.5	-169.9	168.1	-140.6	0	0	111.5	L183 R184 V189 E190 E191	L183-E187 PolarHBondContact O-N 3.08Å; R184-E187 PolarHBondContact O-N 3.23Å; E187-V189 PolarHBondContact O-N 2.98Å; E187-E190 PolarHBondContact O-N 3.17Å; E187-E191 PolarHBondContact O-N 3.36Å
188	V	82.5	Confident	77.1	Confident	86 Å²	86	103.7 Å²	103.7	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-36.8	174.1	171.5	0	0	0	0	112.3	R184 E185 K192	R184-V188 WeakPolarHBondContact O-CG2 3.21Å; R184-V188 PolarHBondContact O-N 3.49Å; R184-V188 VanDerWaalsContact O-N 3.11Å; E185-V188 PolarHBondContact O-N 2.96Å; V188-K192 WeakPolarHBondContact O-CB 3.45Å; V188-K192 PolarHBondContact O-N 3.5Å
189	V	76.5	Confident	76.4	Confident	86 Å²	86	106.9 Å²	106.9	52%	0.521	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-36.2	173.8	170.6	0	0	0	0	111.4	E185 L186 E187 K192 M193	E185-V189 WeakPolarHBondContact O-CG2 3.33Å; E185-V189 PolarHBondContact O-N 2.96Å; E185-V189 VanDerWaalsContact O-N 3.09Å; L186-V189 PolarHBondContact O-N 2.69Å; E187-V189 PolarHBondContact O-N 2.98Å; V189-K192 PolarHBondContact O-N 2.93Å; V189-M193 WeakPolarHBondContact O-CG 3.36Å; V189-M193 PolarHBondContact O-N 3.15Å
190	E	74.8	Confident	74.9	Confident	113 Å²	113	105.4 Å²	105.4	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-69.6	-40.2	176.1	-159.4	-169.7	127.9	0	0	112	L186 E187 M193 K194	L186-E190 PolarHBondContact O-N 3.31Å; E187-E190 PolarHBondContact O-N 3.17Å; E190-M193 PolarHBondContact O-N 3.16Å; E190-K194 WeakPolarHBondContact O-CG 3.3Å; E190-K194 PolarHBondContact O-N 3.48Å; E190-K194 VanDerWaalsContact O-N 3.09Å; E190-K194 WeakPolarHBondContact OE1-CE 3.2Å; E190-K194 IonicContact OE1-NZ 3.62Å; E190-K194 PolarHBondContact OE1-NZ 3.43Å
191	E	81.7	Confident	73.4	Confident	122 Å²	122	109 Å²	109	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-60.9	-48.5	170.8	-72.5	-161.2	130.8	0	0	111.4	E187 M193 K194 E195	E187-E191 PolarHBondContact O-N 3.36Å; E191-M193 VanDerWaalsContact C-N 3.27Å; E191-M193 PolarHBondContact O-N 3.01Å; E191-K194 CarbonylContact O-C 3.48Å; E191-K194 WeakPolarHBondContact O-CA 3.29Å; E191-K194 WeakPolarHBondContact O-CB 3.27Å; E191-K194 PolarHBondContact O-N 3.46Å; E191-E195 PolarHBondContact O-N 2.79Å
192	K	75.1	Confident	72	Confident	125 Å²	125	114.6 Å²	114.6	54%	0.543	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-29.1	179.1	-168.7	134.6	-170.4	151.6	0	113.3	V188 V189 L196	V188-K192 WeakPolarHBondContact O-CB 3.45Å; V188-K192 PolarHBondContact O-N 3.5Å; V189-K192 PolarHBondContact O-N 2.93Å; K192-L196 HydrophobicContact CG-CD1 4.47Å; K192-L196 VanDerWaalsContact O-CG 3.3Å; K192-L196 WeakPolarHBondContact O-CG 3.5Å; K192-L196 PolarHBondContact O-N 3.2Å; K192-L196 VanDerWaalsContact O-N 3.11Å
193	M	65.8	Low	70	Confident	109 Å²	109	116.5 Å²	116.5	54%	0.537	56%	0.56	S	S	.	*	H	α-helix	trans	-65.1	-43	167.8	-82.9	-172.1	56.6	0	0	112.1	V189 E190 E191 E195 L196 E197	V189-M193 WeakPolarHBondContact O-CG 3.36Å; V189-M193 PolarHBondContact O-N 3.15Å; E190-M193 PolarHBondContact O-N 3.16Å; E191-M193 VanDerWaalsContact C-N 3.27Å; E191-M193 PolarHBondContact O-N 3.01Å; M193-E195 VanDerWaalsContact C-N 3.33Å; M193-E195 PolarHBondContact O-N 2.91Å; M193-L196 PolarHBondContact O-N 2.91Å; M193-E197 WeakPolarHBondContact O-CG 3.41Å; M193-E197 PolarHBondContact O-N 3.2Å
194	K	76.7	Confident	67.9	Low	92 Å²	92	114.3 Å²	114.3	40%	0.4	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-31.2	176.8	-66.9	160.6	-172.4	157.5	0	112.9	E190 E191 Q198	E190-K194 WeakPolarHBondContact O-CG 3.3Å; E190-K194 PolarHBondContact O-N 3.48Å; E190-K194 VanDerWaalsContact O-N 3.09Å; E190-K194 WeakPolarHBondContact OE1-CE 3.2Å; E190-K194 IonicContact OE1-NZ 3.62Å; E190-K194 PolarHBondContact OE1-NZ 3.43Å; E191-K194 CarbonylContact O-C 3.48Å; E191-K194 WeakPolarHBondContact O-CA 3.29Å; E191-K194 WeakPolarHBondContact O-CB 3.27Å; E191-K194 PolarHBondContact O-N 3.46Å; K194-Q198 WeakPolarHBondContact O-CG 3.48Å; K194-Q198 PolarHBondContact O-N 3.47Å; K194-Q198 PolarHBondContact O-NE2 3.42Å
195	E	74	Confident	65.6	Low	106 Å²	106	117.2 Å²	117.2	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-53.2	170.3	-68.5	179.8	146.2	0	0	110.3	E191 M193 E197 Q198 E199	E191-E195 PolarHBondContact O-N 2.79Å; M193-E195 VanDerWaalsContact C-N 3.33Å; M193-E195 PolarHBondContact O-N 2.91Å; E195-E197 VanDerWaalsContact C-N 3.28Å; E195-E197 PolarHBondContact O-N 3.27Å; E195-Q198 WeakPolarHBondContact O-CB 3.19Å; E195-Q198 PolarHBondContact O-N 2.74Å; E195-E199 PolarHBondContact O-N 3.05Å
196	L	66.6	Low	63.6	Low	88 Å²	88	122.4 Å²	122.4	46%	0.461	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-31.8	179.9	-70.1	169.1	0	0	0	113.2	K192 M193 N200	K192-L196 HydrophobicContact CG-CD1 4.47Å; K192-L196 VanDerWaalsContact O-CG 3.3Å; K192-L196 WeakPolarHBondContact O-CG 3.5Å; K192-L196 PolarHBondContact O-N 3.2Å; K192-L196 VanDerWaalsContact O-N 3.11Å; M193-L196 PolarHBondContact O-N 2.91Å; L196-N200 VanDerWaalsContact O-CB 3.31Å; L196-N200 WeakPolarHBondContact O-CB 3.38Å; L196-N200 PolarHBondContact O-N 3.48Å
197	E	66.8	Low	61.4	Low	84 Å²	84	127.3 Å²	127.3	39%	0.393	59%	0.589	S	S	.	*	H	α-helix	trans	-70.5	-29.9	171.8	-75	-173.1	163.1	0	0	113.4	M193 E195	M193-E197 WeakPolarHBondContact O-CG 3.41Å; M193-E197 PolarHBondContact O-N 3.2Å; E195-E197 VanDerWaalsContact C-N 3.28Å; E195-E197 PolarHBondContact O-N 3.27Å
198	Q	71.5	Confident	59	Low	143 Å²	143	125.3 Å²	125.3	67%	0.668	59%	0.589	S	S	*	*	H	α-helix	trans	-79	-43.5	176	-77.3	171.8	79	0	0	112.2	K194 E195 N201	K194-Q198 WeakPolarHBondContact O-CG 3.48Å; K194-Q198 PolarHBondContact O-N 3.47Å; K194-Q198 PolarHBondContact O-NE2 3.42Å; E195-Q198 WeakPolarHBondContact O-CB 3.19Å; E195-Q198 PolarHBondContact O-N 2.74Å; Q198-N201 PolarHBondContact O-ND2 2.99Å; Q198-N201 VanDerWaalsContact O-ND2 3.16Å
199	E	64.2	Low	56.5	Low	158 Å²	158	130 Å²	130	74%	0.738	61%	0.61	S	S	*	*	H	α-helix	trans	-66.5	-42.1	177.4	-67.1	-169.9	144.2	0	0	111.5	E195	E195-E199 PolarHBondContact O-N 3.05Å
200	N	47.5	Very low	54.2	Low	73 Å²	73	129.9 Å²	129.9	39%	0.39	62%	0.618	S	S	.	*			trans	-105.2	80.9	-174.1	-166.5	-14.6	0	0	0	113.1	L196 Q202 F203	L196-N200 VanDerWaalsContact O-CB 3.31Å; L196-N200 WeakPolarHBondContact O-CB 3.38Å; L196-N200 PolarHBondContact O-N 3.48Å; N200-Q202 PolarHBondContact O-N 3.09Å; N200-Q202 PolarHBondContact OD1-N 3.32Å; N200-F203 HydrophobicContact CB-CB 4.04Å; N200-F203 WeakPolarHBondContact O-CB 3.35Å; N200-F203 PolarHBondContact O-N 3.43Å; N200-F203 PolarHBondContact OD1-N 3.16Å
201	N	51.7	Low	52.1	Low	140 Å²	140	129.8 Å²	129.8	75%	0.749	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	1.5	175.5	-86.5	-95.4	0	0	0	115.8	Q198	Q198-N201 PolarHBondContact O-ND2 2.99Å; Q198-N201 VanDerWaalsContact O-ND2 3.16Å
202	Q	47.5	Very low	49.6	Very low	162 Å²	162	130.1 Å²	130.1	76%	0.757	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-19.6	167.6	-69.8	-166.6	2.5	0	0	114.4	N200 R205	N200-Q202 PolarHBondContact O-N 3.09Å; N200-Q202 PolarHBondContact OD1-N 3.32Å; Q202-R205 PolarHBondContact O-N 3.39Å
203	F	38.6	Very low	47.7	Very low	138 Å²	138	128.8 Å²	128.8	61%	0.605	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-64.8	-46.9	-168.8	-151.5	-108	0	0	0	112.3	N200 R205	N200-F203 HydrophobicContact CB-CB 4.04Å; N200-F203 WeakPolarHBondContact O-CB 3.35Å; N200-F203 PolarHBondContact O-N 3.43Å; N200-F203 PolarHBondContact OD1-N 3.16Å; F203-R205 PolarHBondContact O-N 3.36Å
204	T	38.5	Very low	46	Very low	57 Å²	57	129 Å²	129	35%	0.35	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-69.4	-14.5	-174.2	-33.4	0	0	0	0	113.9	R206	T204-R206 PolarHBondContact O-N 2.98Å
205	R	35.4	Very low	44	Very low	225 Å²	225	126.7 Å²	126.7	85%	0.849	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-74.2	7.1	-175.7	-73.9	-163.4	-179.9	-131.9	1.4	115.8	Q202 F203	Q202-R205 PolarHBondContact O-N 3.39Å; F203-R205 PolarHBondContact O-N 3.36Å
206	R	38.7	Very low	42	Very low	221 Å²	221	127.1 Å²	127.1	83%	0.834	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-117	-3.1	177.5	-71	-172.7	175.7	173.9	1.4	115.6	T204	T204-R206 PolarHBondContact O-N 2.98Å
207	Y	33.2	Very low	40.3	Very low	217 Å²	217	131.8 Å²	131.8	85%	0.851	68%	0.677	S	S	*	*	S	Bend	trans	-135.9	51	-179.3	-66.4	-73.3	0	0	0	112.8
208	S	31.2	Very low	38.7	Very low	87 Å²	87	133.6 Å²	133.6	61%	0.608	70%	0.699	S	S	*	*			trans	-146	60	178.7	-59.3	0	0	0	0	113.1
209	L	31	Very low	36.7	Very low	183 Å²	183	130.6 Å²	130.6	96%	0.958	70%	0.699	S	S	*	*	S	Bend	trans	-141.6	46.1	175	-72.5	178.1	0	0	0	112.5
210	A	28.1	Very low	35.3	Very low	84 Å²	84	133 Å²	133	69%	0.694	70%	0.702	S	S	*	*	S	Bend	trans	-150.1	16.9	-178.3	0	0	0	0	0	116.7
211	S	30	Very low	34.8	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	72%	0.721	S	S	*	*			trans	-164.2	127	177.8	57.6	0	0	0	0	115.1
212	S	30.1	Very low	34.1	Very low	128 Å²	128	133.9 Å²	133.9	90%	0.895	72%	0.717	S	S	*	*			trans	65.9	151.9	166.6	-126.3	0	0	0	0	117.1
213	S	35.7	Very low	33.3	Very low	98 Å²	98	131 Å²	131	69%	0.685	72%	0.715	S	S	*	*			cis	-149	159.9	4.7	64.5	0	0	0	0	112.5
214	N	30.1	Very low	33	Very low	114 Å²	114	132.4 Å²	132.4	61%	0.61	72%	0.724	S	S	*	*			trans	-107.8	88.5	-177	-101.7	-6.5	0	0	0	114.5	K987	N214-K987 VanDerWaalsContact CG-CB 3.47Å; N214-K987 WeakPolarHBondContact ND2-CB 3.36Å; N214-K987 PolarHBondContact ND2-O 3.24Å; N214-K987 WeakPolarHBondContact OD1-CB 3.38Å; N214-K987 WeakPolarHBondContact OD1-CD 3.43Å
215	G	33.4	Very low	32.8	Very low	42 Å²	42	139 Å²	139	43%	0.433	75%	0.748	S	S	.	*			trans	-146.7	153.8	160.4	0	0	0	0	0	109.6	K987	G215-K987 PolarHBondContact O-NZ 3.03Å
216	K	31.6	Very low	32.9	Very low	116 Å²	116	133.1 Å²	133.1	50%	0.504	74%	0.739	S	S	.	*			cis	92.6	121.2	19	-71.3	-166.7	175.3	179.2	0	115.4	Y986	K216-Y986 VanDerWaalsContact CE-CG 3.48Å; K216-Y986 VanDerWaalsContact NZ-CG 3.34Å
217	H	32.3	Very low	32.5	Very low	185 Å²	185	128.5 Å²	128.5	86%	0.856	74%	0.735	S	S	*	*			trans	69.1	144.4	-176.7	-54.2	-83.2	0	0	0	115
218	S	32	Very low	32.6	Very low	122 Å²	122	124.8 Å²	124.8	85%	0.853	74%	0.735	S	S	*	*			cis	-138.2	-175.9	-4.2	-155.6	0	0	0	0	111.8
219	A	31.1	Very low	32.7	Very low	81 Å²	81	128.7 Å²	128.7	67%	0.669	74%	0.743	S	S	*	*			trans	-104.5	158.5	-161.7	0	0	0	0	0	117.4
220	Y	33.9	Very low	32.7	Very low	207 Å²	207	125.2 Å²	125.2	81%	0.812	73%	0.73	S	S	*	*			trans	5.8	170.3	137.6	-67.4	-67	0	0	0	121.7	V222	Y220-V222 HydrophobicContact CD1-CG2 3.85Å; Y220-V222 HydrophobicContact CE1-CG2 4.33Å
221	P	37.7	Very low	33.2	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	73%	0.729	S	S	*	*			cis	-123.3	173	12.7	14.2	13.5	0	0	0	114.8
222	V	36.2	Very low	33.2	Very low	112 Å²	112	127.4 Å²	127.4	68%	0.679	73%	0.729	S	S	*	*			cis	86.3	119.6	37.3	-178.8	0	0	0	0	116.2	Y220	Y220-V222 HydrophobicContact CD1-CG2 3.85Å; Y220-V222 HydrophobicContact CE1-CG2 4.33Å
223	S	31.7	Very low	33.5	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	73%	0.725	S	S	*	*			trans	-179.8	113.2	143.7	-152.9	0	0	0	0	110.2
224	E	30.5	Very low	33.3	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	73%	0.726	S	S	*	*				73.6	130.2	92.1	-61.6	175.9	-169.7	0	0	115.8
225	K	34.8	Very low	33.2	Very low	196 Å²	196	128.1 Å²	128.1	85%	0.852	74%	0.736	S	S	*	*				78.3	160.6	50.1	-108.9	-174.6	176.7	-177.4	0	114.1
226	P	38.6	Very low	33.2	Very low	101 Å²	101	133.6 Å²	133.6	66%	0.656	75%	0.754	S	S	*	*			cis	-144.6	-176.7	-2.8	40.4	-18.2	0	0	0	118.9
227	T	29.6	Very low	33.1	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	77%	0.771	S	S	*	*			trans	39.5	131.5	146.3	46.8	0	0	0	0	126.7
228	V	35.6	Very low	33	Very low	139 Å²	139	131.1 Å²	131.1	84%	0.842	77%	0.766	S	S	*	*				-155.4	105.5	128.8	177.5	0	0	0	0	106.4
229	E	32.8	Very low	32.9	Very low	169 Å²	169	132.1 Å²	132.1	79%	0.79	76%	0.762	S	S	*	*				78.4	118.5	88.3	-76.3	-163.5	-171.4	0	0	119.4
230	T	31.8	Very low	33	Very low	110 Å²	110	136.2 Å²	136.2	68%	0.675	77%	0.767	S	S	*	*			trans	53.8	123.8	139.8	-25.4	0	0	0	0	119.4
231	S	36.9	Very low	33.1	Very low	98 Å²	98	131 Å²	131	69%	0.685	76%	0.758	S	S	*	*				-169.7	137.4	60.6	-52.8	0	0	0	0	116.1
232	N	31.3	Very low	32.7	Very low	144 Å²	144	132.2 Å²	132.2	77%	0.77	76%	0.757	S	S	*	*			trans	53.7	145.4	138.6	-59.6	-14.1	0	0	0	125.3
233	S	35.1	Very low	32.6	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	76%	0.763	S	S	*	*			trans	80.6	142.1	155.6	-53.8	0	0	0	0	119.7
234	S	32.3	Very low	32.4	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	77%	0.765	S	S	*	*			cis	-171.9	126.3	-30.1	46.6	0	0	0	0	111.2
235	V	28.3	Very low	32.4	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	77%	0.772	S	S	*	*			trans	32.9	122.5	149.7	-156.6	0	0	0	0	120.4
236	I	33.2	Very low	32.2	Very low	157 Å²	157	130.9 Å²	130.9	81%	0.805	77%	0.767	S	S	*	*				177.8	152	121.5	-92.1	162.6	0	0	0	110.4
237	V	28.9	Very low	32	Very low	141 Å²	141	132.7 Å²	132.7	86%	0.855	78%	0.776	S	S	*	*			trans	-120.4	130.5	178.5	172.5	0	0	0	0	109.7
238	S	30	Very low	32.1	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	78%	0.776	S	S	*	*			trans	-171.4	149.6	145	47.1	0	0	0	0	114
239	D	30.4	Very low	31.8	Very low	143 Å²	143	132.2 Å²	132.2	77%	0.765	77%	0.771	S	S	*	*			trans	-35.6	151.2	-179.5	-70.2	-71.3	0	0	0	124
240	Q	34.1	Very low	31.8	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	77%	0.772	S	S	*	*			trans	69.9	172.5	141.9	-67.5	-83.9	-17.4	0	0	117.6
241	P	35	Very low	31.6	Very low	96 Å²	96	139.6 Å²	139.6	62%	0.623	79%	0.785	S	S	*	*			cis	-130.6	-159.3	-1.8	27.8	-3.2	0	0	0	115.1
242	I	30.1	Very low	31.2	Very low	146 Å²	146	138 Å²	138	75%	0.749	78%	0.784	S	S	*	*			trans	73.9	143.4	160.2	-12.9	-177.6	0	0	0	114
243	I	34.4	Very low	31	Very low	156 Å²	156	139.3 Å²	139.3	80%	0.8	79%	0.791	S	S	*	*			cis	-138.1	143.4	19.2	-34.5	-171.4	0	0	0	113.7
244	S	26.2	Very low	30.8	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	79%	0.792	S	S	*	*			trans	-94.8	147.8	172.3	-48.1	0	0	0	0	112.9
245	L	31.3	Very low	30.7	Very low	180 Å²	180	140.7 Å²	140.7	94%	0.942	79%	0.786	S	S	*	*			trans	-137.7	143.7	155.5	-77.4	178.9	0	0	0	110.2
246	S	29.5	Very low	30.8	Very low	105 Å²	105	144 Å²	144	73%	0.734	79%	0.789	S	S	*	*			trans	-141.2	125.8	-166.9	58.1	0	0	0	0	113.5
247	V	35.3	Very low	30.8	Very low	139 Å²	139	141.7 Å²	141.7	84%	0.842	79%	0.787	S	S	*	*			trans	39.9	114.1	139.8	-167.3	0	0	0	0	116.9
248	P	31.3	Very low	31	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	78%	0.78	S	S	*	*				-145.7	147.5	94.2	37.6	-23.1	0	0	0	115.9
249	D	30.5	Very low	30.9	Very low	135 Å²	135	140 Å²	140	72%	0.722	78%	0.784	S	S	*	*				-161.9	-176.8	117.2	-139.8	-11.5	0	0	0	115
250	R	31.8	Very low	31	Very low	218 Å²	218	141.4 Å²	141.4	82%	0.823	78%	0.78	S	S	*	*			trans	-64.4	160.2	-158.9	-68.3	134.7	-165.1	-135.7	-6.6	119.4
251	K	26.9	Very low	30.9	Very low	215 Å²	215	141.1 Å²	141.1	94%	0.935	78%	0.782	S	S	*	*			trans	-49.2	132	159.6	-58.2	170.5	179.7	175.8	0	112.1
252	G	28.7	Very low	30.9	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	78%	0.778	S	S	*	*			trans	-155.3	143.5	166.6	0	0	0	0	0	110.7	V254	G252-V254 PolarHBondContact O-N 3.1Å
253	N	27.3	Very low	31.1	Very low	171 Å²	171	136.5 Å²	136.5	91%	0.914	77%	0.768	S	S	*	*			trans	-70.8	118.6	179.9	-85	-26.9	0	0	0	110.9
254	V	32.1	Very low	31	Very low	140 Å²	140	134.2 Å²	134.2	85%	0.848	75%	0.754	S	S	*	*			trans	-112.6	112.8	165.9	-176.2	0	0	0	0	108.8	G252	G252-V254 PolarHBondContact O-N 3.1Å
255	N	30.5	Very low	31.5	Very low	109 Å²	109	140.3 Å²	140.3	58%	0.583	76%	0.761	S	S	*	*			trans	-67.3	137.6	173.2	-92.5	-77.4	0	0	0	110.1	S257 K540	N255-S257 PolarHBondContact O-N 2.94Å; N255-K540 WeakPolarHBondContact OD1-CE 3.37Å; N255-K540 PolarHBondContact OD1-NZ 3.06Å
256	K	29.4	Very low	31.6	Very low	204 Å²	204	135.9 Å²	135.9	89%	0.887	75%	0.75	S	S	*	*			trans	-63.9	120.6	163.8	-66.3	177.8	179.9	177.3	0	109
257	S	33.5	Very low	32	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	74%	0.744	S	S	*	*			trans	-129.1	150.1	164.8	50.9	0	0	0	0	108.6	N255	N255-S257 PolarHBondContact O-N 2.94Å
258	N	33.1	Very low	32.1	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	73%	0.733	S	S	*	*			trans	-76.7	140.7	-167.6	-64.4	-22.5	0	0	0	111.8	Y260	N258-Y260 HydrophobicContact CB-CE2 4.33Å; N258-Y260 WeakPolarHBondContact O-CD2 3.31Å; N258-Y260 PolarHBondContact O-N 3.48Å
259	G	28.4	Very low	32.3	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	73%	0.733	S	S	*	*			trans	-72.9	85	173.7	0	0	0	0	0	111.8	I261	G259-I261 PolarHBondContact O-N 3.26Å
260	Y	31.7	Very low	32.6	Very low	173 Å²	173	136.8 Å²	136.8	68%	0.678	74%	0.738	S	S	*	*			trans	-68.8	110.2	168.7	-71.2	-85.8	0	0	0	109.9	N258 C262	N258-Y260 HydrophobicContact CB-CE2 4.33Å; N258-Y260 WeakPolarHBondContact O-CD2 3.31Å; N258-Y260 PolarHBondContact O-N 3.48Å; Y260-C262 PolarHBondContact O-N 3.37Å; Y260-C262 VanDerWaalsContact O-N 3.14Å
261	I	32.8	Very low	32.7	Very low	163 Å²	163	135 Å²	135	84%	0.836	74%	0.739	S	S	*	*			trans	-72.1	104.2	158.9	-68.4	178.6	0	0	0	105.8	G259	G259-I261 PolarHBondContact O-N 3.26Å
262	C	34.1	Very low	33.1	Very low	78 Å²	78	132.4 Å²	132.4	53%	0.527	74%	0.735	S	S	.	*			trans	-81.8	154.5	-155.6	-164.4	0	0	0	0	113.7	Y260 E264	Y260-C262 PolarHBondContact O-N 3.37Å; Y260-C262 VanDerWaalsContact O-N 3.14Å; C262-E264 HydrophobicContact CB-CB 3.94Å; C262-E264 PolarHBondContact O-N 3.49Å; C262-E264 VanDerWaalsContact O-N 3.1Å
263	A	34.8	Very low	33.4	Very low	67 Å²	67	138 Å²	138	55%	0.554	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-66	-2.2	168.1	0	0	0	0	0	113.5	W265 A266 A267	A263-W265 PolarHBondContact O-N 3.42Å; A263-W265 VanDerWaalsContact O-N 3.12Å; A263-A266 PolarHBondContact O-N 3.44Å; A263-A267 PolarHBondContact O-N 3.25Å
264	E	32.1	Very low	33.6	Very low	108 Å²	108	140.7 Å²	140.7	51%	0.505	74%	0.743	S	S	.	*	G	3₁₀ helix	trans	-54.2	-27.5	178.4	-157.7	-172.3	138.2	0	0	114.1	C262 A266 K268	C262-E264 HydrophobicContact CB-CB 3.94Å; C262-E264 PolarHBondContact O-N 3.49Å; C262-E264 VanDerWaalsContact O-N 3.1Å; E264-A266 VanDerWaalsContact C-N 3.31Å; E264-K268 HydrophobicContact CG-CD 4.43Å; E264-K268 WeakPolarHBondContact O-CG 3.36Å; E264-K268 IonicContact OE1-NZ 2.73Å; E264-K268 PolarHBondContact OE1-NZ 3.39Å
265	W	35.9	Very low	33.6	Very low	236 Å²	236	140.6 Å²	140.6	89%	0.894	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-76.7	-16.1	175.9	-146.7	68	0	0	0	113.6	A263	A263-W265 PolarHBondContact O-N 3.42Å; A263-W265 VanDerWaalsContact O-N 3.12Å
266	A	34.3	Very low	34.1	Very low	87 Å²	87	143.2 Å²	143.2	72%	0.719	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-14.7	175.1	0	0	0	0	0	113.1	A263 E264	A263-A266 PolarHBondContact O-N 3.44Å; E264-A266 VanDerWaalsContact C-N 3.31Å
267	A	38.4	Very low	34.2	Very low	73 Å²	73	138.9 Å²	138.9	60%	0.603	74%	0.736	S	S	*	*	S	Bend	trans	-92.8	-6.5	177.4	0	0	0	0	0	113.8	A263	A263-A267 PolarHBondContact O-N 3.25Å
268	K	37.2	Very low	34.4	Very low	143 Å²	143	140.9 Å²	140.9	62%	0.622	74%	0.738	S	S	*	*	S	Bend	trans	-98.5	33.8	-175.5	-81.8	175.9	168	170.3	0	114.2	E264	E264-K268 HydrophobicContact CG-CD 4.43Å; E264-K268 WeakPolarHBondContact O-CG 3.36Å; E264-K268 IonicContact OE1-NZ 2.73Å; E264-K268 PolarHBondContact OE1-NZ 3.39Å
269	L	35.1	Very low	34.3	Very low	147 Å²	147	141.4 Å²	141.4	77%	0.77	74%	0.741	S	S	*	*	S	Bend	trans	-137.1	28.9	179.5	-75.7	173.5	0	0	0	112.9
270	N	36.6	Very low	34.6	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	74%	0.737	S	S	*	*	S	Bend	trans	-151.7	32.3	178.9	-93.9	-39.7	0	0	0	112.8
271	H	33.1	Very low	34.7	Very low	181 Å²	181	144.5 Å²	144.5	84%	0.838	74%	0.743	S	S	*	*			trans	-146	70.3	176.7	-92.2	-60.4	0	0	0	111.6
272	D	36.9	Very low	34.8	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	74%	0.737	S	S	*	*			trans	-96.9	90.4	160.1	-67	-52.3	0	0	0	108.8	Y274	D272-Y274 PolarHBondContact O-N 2.96Å
273	E	34.9	Very low	35	Very low	182 Å²	182	146.5 Å²	146.5	85%	0.85	74%	0.742	S	S	*	*			trans	21	94.3	144.4	-153.5	152.2	-126.8	0	0	118.2
274	Y	31.5	Very low	35.1	Very low	229 Å²	229	152 Å²	152	90%	0.898	75%	0.753	S	S	*	*			trans	-83.2	105.5	153.1	-108.5	-88.2	0	0	0	108.5	D272	D272-Y274 PolarHBondContact O-N 2.96Å
275	D	32	Very low	35.5	Very low	138 Å²	138	154.3 Å²	154.3	74%	0.738	76%	0.762	S	S	*	*			trans	-131.8	111.9	159.7	-166.2	3.3	0	0	0	110.2
276	H	39.7	Very low	35.6	Very low	163 Å²	163	149.2 Å²	149.2	76%	0.755	75%	0.752	S	S	*	*			trans	-124.7	86.2	179.9	-119.1	-37.9	0	0	0	109.8
277	T	31.7	Very low	35.9	Very low	113 Å²	113	149.8 Å²	149.8	69%	0.693	75%	0.75	S	S	*	*			trans	6.3	118	147.3	55.7	0	0	0	0	117.1
278	D	37.9	Very low	36.1	Very low	151 Å²	151	151.6 Å²	151.6	81%	0.807	76%	0.759	S	S	*	*			trans	-150.3	150.2	130.8	-134.3	-25.5	0	0	0	115.4
279	N	31.6	Very low	36.4	Very low	141 Å²	141	150.3 Å²	150.3	75%	0.754	77%	0.765	S	S	*	*			trans	-48.2	138.3	-168.1	-74.9	-90.3	0	0	0	118.9
280	S	35.6	Very low	36.6	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	76%	0.764	S	S	*	*				175.7	135.2	97.5	47.2	0	0	0	0	117.3
281	R	33.5	Very low	36.9	Very low	214 Å²	214	146.8 Å²	146.8	81%	0.808	76%	0.762	S	S	*	*			trans	25.6	132.6	140.1	-62.8	175.6	-174.2	174.5	2.3	118.9
282	F	34.2	Very low	38	Very low	163 Å²	163	143.9 Å²	143.9	72%	0.715	76%	0.759	S	S	*	*			cis	-176.8	153.1	34.3	-113.4	-37.8	0	0	0	112.8
283	L	38.3	Very low	38.4	Very low	120 Å²	120	142.1 Å²	142.1	63%	0.628	76%	0.756	S	S	*	*			trans	62.1	108	146.6	-57.7	167.1	0	0	0	120.6
284	K	36.5	Very low	38.6	Very low	183 Å²	183	138.8 Å²	138.8	80%	0.796	75%	0.751	S	S	*	*				100.8	148.5	93.9	-87	-171.4	-175.5	166	0	114.5
285	K	39.8	Very low	39	Very low	156 Å²	156	133.9 Å²	133.9	68%	0.678	75%	0.747	S	S	*	*			cis	-167	143.8	-2.7	169.6	175	174.5	179.6	0	112.6
286	D	38.4	Very low	39.5	Very low	128 Å²	128	133.4 Å²	133.4	68%	0.684	75%	0.751	S	S	*	*			trans	56.7	156	161.6	-61	4.4	0	0	0	119.7
287	S	40.8	Very low	39.2	Very low	99 Å²	99	130 Å²	130	69%	0.692	75%	0.751	S	S	*	*			cis	-144.3	128.1	18.8	-42.3	0	0	0	0	111.6
288	S	42.2	Very low	39.3	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	76%	0.758	S	S	*	*				90.9	165.2	97.6	74.7	0	0	0	0	114.8
289	P	44.3	Very low	39.1	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	76%	0.761	S	S	*	*				-124	179.4	-50.6	38	-23.7	0	0	0	111.6
290	S	40.2	Very low	39.1	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	76%	0.757	S	S	*	*			cis	-168.1	150.2	-19.5	47.6	0	0	0	0	109.9
291	P	42.4	Very low	39.1	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-103.4	173.2	-172.2	40.4	-37	0	0	0	115.9
292	P	55.3	Low	39.1	Very low	120 Å²	120	124 Å²	124	78%	0.779	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-77.2	161.6	167.9	32.7	-35.5	0	0	0	113.9
293	P	46.2	Very low	39.2	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-98.2	164.1	-160.8	37.8	-37.5	0	0	0	117.3
294	P	39.6	Very low	39.1	Very low	113 Å²	113	122.3 Å²	122.3	73%	0.734	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-93.9	170.2	-178	38.6	-37.5	0	0	0	115.1
295	P	38.6	Very low	38.9	Very low	126 Å²	126	119.8 Å²	119.8	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-87.8	140.6	-177.4	33.9	-35.2	0	0	0	115
296	P	42.3	Very low	38.7	Very low	128 Å²	128	116.8 Å²	116.8	83%	0.831	78%	0.778	S	S	*	*			trans	-106.7	174.1	164.2	38.6	-30.9	0	0	0	112.7
297	A	34.6	Very low	38.5	Very low	91 Å²	91	116 Å²	116	75%	0.752	78%	0.782	S	S	*	*			trans	-144.5	169.3	-172	0	0	0	0	0	114.8
298	F	33.4	Very low	38.4	Very low	189 Å²	189	116.3 Å²	116.3	83%	0.829	78%	0.782	S	S	*	*			trans	78.3	132.6	162.2	-99.8	-116.8	0	0	0	120.7
299	L	32.9	Very low	37.8	Very low	166 Å²	166	116.2 Å²	116.2	87%	0.869	78%	0.777	S	S	*	*			trans	67.3	141.8	161.6	-52.5	171.5	0	0	0	118.2
300	G	31.3	Very low	37.2	Very low	65 Å²	65	117.9 Å²	117.9	67%	0.67	78%	0.78	S	S	*	*			cis	172.3	164.1	-7	0	0	0	0	0	113.4
301	A	36.2	Very low	36.7	Very low	115 Å²	115	117.7 Å²	117.7	95%	0.95	78%	0.778	S	S	*	*			trans	64.8	146.4	-179.5	0	0	0	0	0	117
302	G	33.1	Very low	37.1	Very low	65 Å²	65	117.8 Å²	117.8	67%	0.67	78%	0.779	S	S	*	*			cis	177.6	162.3	-7.7	0	0	0	0	0	113.1
303	D	36.7	Very low	36.4	Very low	169 Å²	169	117.6 Å²	117.6	90%	0.904	78%	0.778	S	S	*	*			trans	63.4	147.2	163	-66.2	-15.2	0	0	0	119.1
304	A	36.4	Very low	35.7	Very low	79 Å²	79	116.6 Å²	116.6	65%	0.653	77%	0.773	S	S	*	*			cis	-148.9	154.2	1.2	0	0	0	0	0	112.7
305	C	33.2	Very low	35.4	Very low	129 Å²	129	116.6 Å²	116.6	87%	0.872	78%	0.776	S	S	*	*			trans	58.5	150	147.8	-66.3	0	0	0	0	121.1
306	A	35.1	Very low	35	Very low	93 Å²	93	114.6 Å²	114.6	77%	0.769	77%	0.765	S	S	*	*			cis	-161.3	153.8	-20.4	0	0	0	0	0	109.8
307	S	33.2	Very low	34.6	Very low	112 Å²	112	118.7 Å²	118.7	78%	0.783	77%	0.766	S	S	*	*			trans	-85	-172.2	171.2	-40.4	0	0	0	0	110.6
308	P	39.6	Very low	34.8	Very low	105 Å²	105	119.3 Å²	119.3	68%	0.682	76%	0.764	S	S	*	*			cis	-142.5	-165	0.7	40.9	-18.9	0	0	0	115.5
309	T	29.1	Very low	35.3	Very low	109 Å²	109	115.4 Å²	115.4	67%	0.669	76%	0.758	S	S	*	*			trans	51.9	124.1	152.7	54.3	0	0	0	0	121
310	N	31.7	Very low	35.5	Very low	152 Å²	152	114.7 Å²	114.7	81%	0.813	75%	0.75	S	S	*	*				-177.8	169	96.9	-99.1	-53.9	0	0	0	116.1
311	S	30	Very low	35.5	Very low	105 Å²	105	116.1 Å²	116.1	73%	0.734	75%	0.749	S	S	*	*			trans	-70.8	170.8	-171.7	-45.6	0	0	0	0	116.3
312	P	50	Low	35.4	Very low	121 Å²	121	117.9 Å²	117.9	79%	0.786	74%	0.738	S	S	*	*			trans	-97.3	168.1	-172.1	39.3	-36.6	0	0	0	115.1
313	P	41	Very low	35.1	Very low	116 Å²	116	121.5 Å²	121.5	75%	0.753	74%	0.741	S	S	*	*			trans	-122.7	147.3	134.3	8.7	12.8	0	0	0	110.2
314	S	32.2	Very low	34.8	Very low	100 Å²	100	119.7 Å²	119.7	70%	0.699	73%	0.73	S	S	*	*			cis	114.9	131.5	16.1	71.6	0	0	0	0	111.9
315	S	32	Very low	34.6	Very low	114 Å²	114	122.7 Å²	122.7	80%	0.797	73%	0.731	S	S	*	*			trans	72.5	152.8	159.8	89.3	0	0	0	0	117
316	S	30.9	Very low	34.5	Very low	84 Å²	84	124.3 Å²	124.3	59%	0.587	73%	0.725	S	S	*	*			cis	-168.2	174.3	-10	35.9	0	0	0	0	113.1
317	Y	33.7	Very low	34.3	Very low	214 Å²	214	125 Å²	125	84%	0.839	73%	0.725	S	S	*	*			trans	76.9	123.8	166.2	-64	-73	0	0	0	117
318	S	38.3	Very low	34	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	73%	0.729	S	S	*	*			cis	68.2	149.1	10.5	-141.3	0	0	0	0	115.6
319	P	44.6	Very low	33.8	Very low	107 Å²	107	125.8 Å²	125.8	70%	0.695	73%	0.731	S	S	*	*			cis	-119.4	-149.3	2.6	45.3	-28.6	0	0	0	110.9
320	H	36.7	Very low	33.9	Very low	152 Å²	152	129 Å²	129	70%	0.704	74%	0.738	S	S	*	*			cis	-156.3	157.6	45.7	-153.4	-77	0	0	0	112.4
321	S	32.5	Very low	33.9	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	73%	0.73	S	S	*	*			trans	-117.4	-156.4	178.6	57.3	0	0	0	0	111.6
322	Q	33.4	Very low	33.9	Very low	152 Å²	152	128.6 Å²	128.6	71%	0.71	73%	0.73	S	S	*	*			trans	84.8	148.7	172.3	-59.8	-175.5	44.1	0	0	116.5
323	L	27.3	Very low	33	Very low	141 Å²	141	130 Å²	130	74%	0.738	73%	0.73	S	S	*	*			cis	-171.8	-169.3	-18.8	-166.6	64.8	0	0	0	107.4
324	I	30.8	Very low	32.7	Very low	132 Å²	132	128.9 Å²	128.9	68%	0.677	72%	0.722	S	S	*	*			trans	75.9	139.1	154.1	-69.8	164.8	0	0	0	116.6
325	Q	32.1	Very low	32.6	Very low	141 Å²	141	131.9 Å²	131.9	66%	0.659	73%	0.725	S	S	*	*			cis	-159.1	161.6	-14.9	-112.5	168.8	7.6	0	0	112.2
326	Q	29.5	Very low	32.7	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	73%	0.728	S	S	*	*			trans	5.9	146.3	140.2	-56.8	157.9	11	0	0	118.7
327	S	31.3	Very low	32.6	Very low	109 Å²	109	136 Å²	136	76%	0.762	73%	0.734	S	S	*	*			cis	-168.6	143.5	48.1	38	0	0	0	0	110.5
328	N	28.3	Very low	32.9	Very low	161 Å²	161	132 Å²	132	86%	0.861	73%	0.734	S	S	*	*				61.9	123.1	83.8	-99	0.2	0	0	0	117.5
329	G	34.3	Very low	32.6	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	74%	0.74	S	S	*	*			trans	144.9	74.2	176.6	0	0	0	0	0	114.1
330	H	32.4	Very low	31.8	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.815	74%	0.741	S	S	*	*				73.6	138.8	69.7	-95.1	49.6	0	0	0	117.7
331	S	30.2	Very low	31.3	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	74%	0.74	S	S	*	*			trans	71.9	148.9	167.5	-63.3	0	0	0	0	118.7
332	Q	31.1	Very low	31.2	Very low	157 Å²	157	144.4 Å²	144.4	73%	0.734	75%	0.748	S	S	*	*			cis	-157.2	141.4	-14.1	-104.5	160.8	15.5	0	0	106.4
333	I	30.9	Very low	31.2	Very low	151 Å²	151	142.8 Å²	142.8	77%	0.774	75%	0.751	S	S	*	*				66.6	133.1	66.6	-69.2	170.7	0	0	0	112.3
334	P	35.2	Very low	31.4	Very low	91 Å²	91	147.6 Å²	147.6	59%	0.591	76%	0.759	S	S	*	*			cis	-149.7	-165	-20.3	43.1	-22	0	0	0	115.6
335	Q	29	Very low	31.3	Very low	163 Å²	163	145.8 Å²	145.8	76%	0.762	76%	0.758	S	S	*	*			trans	36.9	128.4	142.9	-67	158.8	21	0	0	122.5
336	Q	34.8	Very low	31.4	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	76%	0.758	S	S	*	*				172.8	158.6	107.4	-93.5	173.4	76.6	0	0	109.8
337	S	29.1	Very low	31.5	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	76%	0.762	S	S	*	*			cis	-178.5	131.6	-32.5	-97	0	0	0	0	106.8
338	P	39.3	Very low	31.4	Very low	130 Å²	130	145 Å²	145	84%	0.844	76%	0.756	S	S	*	*			trans	-94.4	132.3	-165.3	34.1	-34.7	0	0	0	115.4
339	R	31.4	Very low	31.3	Very low	227 Å²	227	147.8 Å²	147.8	86%	0.857	76%	0.755	S	S	*	*			trans	-159.5	158.6	166.7	-78.7	-155.6	173.4	-175.9	-1.2	110.8
340	R	28.2	Very low	31.1	Very low	186 Å²	186	150.3 Å²	150.3	70%	0.702	76%	0.761	S	S	*	*			cis	-177.9	122.7	-20.7	170.7	-173	-173.4	-159	6.5	109
341	N	27.2	Very low	30.9	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	75%	0.752	S	S	*	*			trans	61.3	171.2	169.7	-54.9	5.4	0	0	0	113.7
342	Q	29.7	Very low	31.1	Very low	173 Å²	173	151.3 Å²	151.3	81%	0.808	77%	0.765	S	S	*	*			cis	-150.8	151	8.9	-156.3	161.6	18.4	0	0	109
343	P	33.9	Very low	31	Very low	119 Å²	119	151.1 Å²	151.1	77%	0.773	76%	0.764	S	S	*	*			trans	-78.9	155.3	179.6	32.6	-36.6	0	0	0	112.7
344	R	31.1	Very low	31.2	Very low	241 Å²	241	148.7 Å²	148.7	91%	0.909	77%	0.767	S	S	*	*			trans	-138.6	144.9	154.1	-89.5	-165.4	169.3	149.1	-0.4	110.8
345	S	28.7	Very low	31	Very low	94 Å²	94	150.5 Å²	150.5	66%	0.657	77%	0.771	S	S	*	*			trans	-67.3	167.3	157.9	48.1	0	0	0	0	110.3
346	D	33.8	Very low	31.3	Very low	123 Å²	123	150.5 Å²	150.5	66%	0.658	78%	0.776	S	S	*	*				-175.5	136.1	106.6	-75.6	-16.9	0	0	0	106.1
347	E	31.6	Very low	31.6	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	77%	0.767	S	S	*	*				56.4	144.1	106.6	-54.3	-157.9	147.7	0	0	115.4
348	S	28.2	Very low	31.9	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	77%	0.77	S	S	*	*			cis	-161.4	163.4	2.2	129.5	0	0	0	0	110.7
349	W	26.5	Very low	31.8	Very low	219 Å²	219	150 Å²	150	83%	0.83	77%	0.769	S	S	*	*			trans	2	137.1	156.5	-55.9	97.9	0	0	0	121.1
350	S	31	Very low	32	Very low	125 Å²	125	142.8 Å²	142.8	87%	0.874	77%	0.765	S	S	*	*				-160.3	145.1	117.2	-85	0	0	0	0	113
351	V	27.3	Very low	32.4	Very low	102 Å²	102	141.7 Å²	141.7	62%	0.618	77%	0.771	S	S	*	*			trans	-107.1	145.7	177.5	170.5	0	0	0	0	109.3
352	M	34.7	Very low	33	Very low	187 Å²	187	145 Å²	145	92%	0.921	78%	0.779	S	S	*	*			trans	-135.3	121	160	-89.4	-64.1	-167.1	0	0	110.9
353	H	28.5	Very low	33.7	Very low	153 Å²	153	140.8 Å²	140.8	71%	0.708	77%	0.767	S	S	*	*			trans	-90.4	148.9	168.9	-88.8	-101.1	0	0	0	110.6
354	A	36	Very low	33.9	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	77%	0.766	S	S	*	*			trans	-144.1	112.9	155.6	0	0	0	0	0	109.5
355	N	31	Very low	34.2	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	75%	0.754	S	S	*	*			trans	-95.2	151.4	174.6	-60.2	-38.3	0	0	0	109.8
356	N	34.7	Very low	34.4	Very low	162 Å²	162	140.1 Å²	140.1	87%	0.866	76%	0.756	S	S	*	*				-167.1	155.7	117.7	-98.5	-22.7	0	0	0	113.4
357	P	41.2	Very low	34.4	Very low	102 Å²	102	139.7 Å²	139.7	66%	0.662	75%	0.754	S	S	*	*			trans	-116.3	-175.9	-170.7	43.2	-33	0	0	0	113.5
358	I	36.7	Very low	34.3	Very low	148 Å²	148	135.5 Å²	135.5	76%	0.759	75%	0.745	S	S	*	*				-170.7	128.9	126.7	-101.4	159.4	0	0	0	113.7
359	N	36.1	Very low	34.6	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	76%	0.756	S	S	*	*			trans	38.9	130.2	152.5	-54.3	-19.1	0	0	0	123.5
360	G	34.9	Very low	34.9	Very low	75 Å²	75	137.9 Å²	137.9	77%	0.773	75%	0.753	S	S	*	*			trans	-171.1	25.7	173.3	0	0	0	0	0	119.5
361	I	37.9	Very low	35.1	Very low	162 Å²	162	135.6 Å²	135.6	83%	0.831	75%	0.749	S	S	*	*			trans	41.4	90.1	162	-52.8	179.8	0	0	0	116.6
362	K	38.5	Very low	35.5	Very low	200 Å²	200	138 Å²	138	87%	0.87	76%	0.758	S	S	*	*				92	153.9	86.5	-91	-155.9	169	-175.3	0	115.5
363	P	44.8	Very low	35.5	Very low	85 Å²	85	137.6 Å²	137.6	55%	0.552	76%	0.759	S	S	*	*			trans	-136	-161.7	-131.6	45.3	-28.1	0	0	0	114.5
364	H	37.8	Very low	35.9	Very low	162 Å²	162	135.2 Å²	135.2	75%	0.75	76%	0.759	S	S	*	*				-175.8	119.7	122.9	-92.1	-63.8	0	0	0	109.5
365	H	37.6	Very low	35.7	Very low	143 Å²	143	138.1 Å²	138.1	66%	0.662	76%	0.761	S	S	*	*				71.7	136.2	93.4	-85.9	-112.7	0	0	0	114.3
366	L	34.2	Very low	35.9	Very low	135 Å²	135	141 Å²	141	71%	0.707	77%	0.767	S	S	*	*			cis	-143.3	157.4	13	-87	116.6	0	0	0	114
367	N	33	Very low	35.9	Very low	114 Å²	114	140.9 Å²	140.9	61%	0.61	77%	0.766	S	S	*	*			trans	31.3	133.4	138	-61.5	30	0	0	0	120.3
368	S	29.2	Very low	35.7	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	78%	0.78	S	S	*	*			cis	63.4	120.6	17.7	-162.4	0	0	0	0	118.2
369	Y	34.5	Very low	35.5	Very low	217 Å²	217	150 Å²	150	85%	0.851	79%	0.786	S	S	*	*			trans	-153.3	127.9	151.1	-120.9	-78.3	0	0	0	110.9
370	D	33.2	Very low	35.4	Very low	143 Å²	143	147.2 Å²	147.2	77%	0.765	79%	0.785	S	S	*	*			trans	-83.3	160.8	179.4	-75.2	-67.6	0	0	0	113.5
371	G	36.3	Very low	35.4	Very low	77 Å²	77	151.9 Å²	151.9	79%	0.794	79%	0.789	S	S	*	*			trans	-158.2	79.5	175.7	0	0	0	0	0	112.7
372	N	34.9	Very low	35.3	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	78%	0.782	S	S	*	*			trans	-61.7	143	175.9	-67.5	-63	0	0	0	112.5
373	L	35.5	Very low	35.1	Very low	177 Å²	177	149.2 Å²	149.2	93%	0.927	78%	0.78	S	S	*	*			trans	-162.4	155.3	142.7	-106.5	157.1	0	0	0	110.3
374	S	36.6	Very low	34.6	Very low	104 Å²	104	152.7 Å²	152.7	73%	0.727	79%	0.789	S	S	*	*			trans	-100.8	160.9	-155.8	54.7	0	0	0	0	115.8	K376	S374-K376 PolarHBondContact O-N 3.29Å; S374-K376 VanDerWaalsContact O-N 3.14Å
375	D	32.1	Very low	34.5	Very low	162 Å²	162	149.5 Å²	149.5	87%	0.866	77%	0.771	S	S	*	*	S	Bend	trans	-55.6	109.2	176.9	-64.9	-75.3	0	0	0	115
376	K	34.1	Very low	34.4	Very low	188 Å²	188	148.4 Å²	148.4	82%	0.817	77%	0.774	S	S	*	*			trans	-169.1	172.2	140.7	-104	153	-172.5	175.5	0	110	S374	S374-K376 PolarHBondContact O-N 3.29Å; S374-K376 VanDerWaalsContact O-N 3.14Å
377	D	35.9	Very low	34.4	Very low	160 Å²	160	146.8 Å²	146.8	86%	0.856	77%	0.77	S	S	*	*			trans	64.4	57.4	169.2	-51.4	-16.3	0	0	0	116.8
378	R	36.1	Very low	34.3	Very low	249 Å²	249	150 Å²	150	94%	0.94	78%	0.781	S	S	*	*			trans	-138.3	39.9	160.9	-151.5	174.9	175	158.5	-0	115.7
379	E	31.7	Very low	34.4	Very low	192 Å²	192	152 Å²	152	90%	0.897	79%	0.789	S	S	*	*			trans	-85.9	161.3	148.2	-69.3	-167.9	116.1	0	0	109.8
380	A	34.5	Very low	34.3	Very low	97 Å²	97	146 Å²	146	80%	0.802	78%	0.777	S	S	*	*			trans	63	76.7	172.6	0	0	0	0	0	119
381	M	35.7	Very low	34.2	Very low	174 Å²	174	145.9 Å²	145.9	86%	0.857	78%	0.781	S	S	*	*			trans	-159.1	163.3	137.6	-121	-169.4	-73.2	0	0	114.4
382	Q	35.8	Very low	33.9	Very low	148 Å²	148	148.1 Å²	148.1	69%	0.692	77%	0.766	S	S	*	*			trans	68.6	105.2	178.8	-103.9	75.8	75.5	0	0	118.8
383	L	34.3	Very low	33.8	Very low	158 Å²	158	146.9 Å²	146.9	83%	0.827	76%	0.76	S	S	*	*			trans	-114.8	164.8	165.7	-95.8	165.1	0	0	0	111.1
384	Q	34.2	Very low	33.8	Very low	157 Å²	157	143.8 Å²	143.8	73%	0.734	75%	0.752	S	S	*	*			trans	66.5	118.8	167	-65.8	-174.4	-10.3	0	0	120.4	N476	Q384-N476 PolarHBondContact O-ND2 3.5Å; Q384-N476 VanDerWaalsContact O-ND2 3.13Å
385	R	34.9	Very low	33.8	Very low	96 Å²	96	147.5 Å²	147.5	36%	0.362	76%	0.758	S	S	.	*				-170.3	170	85.8	-154.9	173.3	-55.8	158.7	7.9	107.8	N474 N475 N476 N477 N478	R385-N474 PolarHBondContact NH1-OD1 3.47Å; R385-N475 VanDerWaalsContact CD-OD1 3.26Å; R385-N475 WeakPolarHBondContact CD-OD1 3.46Å; R385-N475 PolarHBondContact NH1-OD1 3.21Å; R385-N476 HydrophobicContact CB-CB 3.97Å; R385-N476 WeakPolarHBondContact CB-ND2 3.34Å; R385-N476 HydrophobicContact CG-CB 4.38Å; R385-N476 PolarHBondContact NH2-OD1 3.44Å; R385-N476 VanDerWaalsContact NH2-OD1 3.14Å; R385-N477 WeakPolarHBondContact CB-OD1 3.48Å; R385-N477 VanDerWaalsContact O-CA 3.3Å; R385-N477 WeakPolarHBondContact O-CA 3.4Å; R385-N477 WeakPolarHBondContact O-CB 3.47Å; R385-N477 PolarHBondContact O-OD1 2.99Å; R385-N478 PolarHBondContact O-N 3.11Å
386	T	34.8	Very low	33.9	Very low	120 Å²	120	143.2 Å²	143.2	74%	0.736	74%	0.741	S	S	*	*			trans	-142.7	145.9	-175.1	36.2	0	0	0	0	116.3	N477	T386-N477 VanDerWaalsContact C-ND2 3.27Å; T386-N477 VanDerWaalsContact CA-CG 3.49Å; T386-N477 WeakPolarHBondContact CA-OD1 3.27Å; T386-N477 PolarHBondContact N-OD1 3.34Å
387	T	35.2	Very low	33.9	Very low	100 Å²	100	141.9 Å²	141.9	61%	0.613	73%	0.732	S	S	*	*			trans	172.4	155.2	167.2	13.7	0	0	0	0	109.4	N477	T387-N477 PolarHBondContact N-ND2 2.89Å; T387-N477 PolarHBondContact O-ND2 2.92Å; T387-N477 VanDerWaalsContact O-ND2 3.16Å; T387-N477 PolarHBondContact OG1-ND2 3.19Å
388	Q	31.3	Very low	34.1	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	73%	0.73	S	S	*	*				-168.1	121.1	-66.3	-114.3	-175.8	-12.4	0	0	111
389	V	30.2	Very low	34.5	Very low	139 Å²	139	135.4 Å²	135.4	84%	0.842	71%	0.71	S	S	*	*			trans	-150.1	135.3	156	-176.4	0	0	0	0	106.9
390	P	32.6	Very low	35.3	Very low	91 Å²	91	132.7 Å²	132.7	59%	0.591	70%	0.696	S	S	*	*			trans	-87.6	151.1	-167	33.2	-35.7	0	0	0	115
391	V	32.1	Very low	36.8	Very low	140 Å²	140	133 Å²	133	85%	0.848	68%	0.681	S	S	*	*			trans	-120.6	134.1	171.3	176.9	0	0	0	0	108.8
392	Y	29.5	Very low	38.2	Very low	124 Å²	124	128 Å²	128	49%	0.486	66%	0.66	S	S	.	*			trans	-88.3	141.5	179.4	-81	-115.9	0	0	0	111	L406	Y392-L406 HydrophobicContact CD1-CD1 4.48Å; Y392-L406 HydrophobicContact CE1-CD1 3.63Å; Y392-L406 HydrophobicContact CE1-CD2 3.91Å; Y392-L406 HydrophobicContact CE1-CG 4.08Å; Y392-L406 WeakPolarHBondContact OH-CD2 3.36Å; Y392-L406 WeakPolarHBondContact OH-CG 3.48Å
393	N	33.5	Very low	39	Very low	127 Å²	127	125 Å²	125	68%	0.679	65%	0.646	S	S	*	*			trans	-133.7	120	-178.8	-157.4	17.5	0	0	0	109.4	Q395 S396	N393-Q395 PolarHBondContact O-N 3.4Å; N393-S396 PolarHBondContact O-OG 2.91Å
394	S	34.7	Very low	40.8	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	34.1	-159.9	-53	0	0	0	0	116.2
395	Q	37.4	Very low	42.7	Very low	182 Å²	182	120.7 Å²	120.7	85%	0.85	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	4.2	179.1	-71	-176	-24.5	0	0	113.9	N393 Y397	N393-Q395 PolarHBondContact O-N 3.4Å; Q395-Y397 PolarHBondContact O-N 3.46Å
396	S	34.1	Very low	44	Very low	72 Å²	72	118.6 Å²	118.6	50%	0.503	62%	0.616	S	S	.	*			trans	-97.7	46.1	-177.1	57.6	0	0	0	0	115	N393	N393-S396 PolarHBondContact O-OG 2.91Å
397	Y	33.6	Very low	45.8	Very low	160 Å²	160	116.7 Å²	116.7	63%	0.627	60%	0.6	S	S	*	*			trans	-113.5	52.1	179.4	-76	-62.4	0	0	0	114.1	Q395 Q403	Q395-Y397 PolarHBondContact O-N 3.46Å; Y397-Q403 HydrophobicContact CD1-CG 4.23Å; Y397-Q403 HydrophobicContact CE1-CG 4.29Å
398	Q	41	Very low	47.7	Very low	174 Å²	174	116.3 Å²	116.3	81%	0.813	60%	0.595	S	S	*	*	S	Bend	trans	-133	18.9	171.6	-72.2	-163.7	-9.5	0	0	114.4
399	N	42.8	Very low	49.7	Very low	99 Å²	99	113.3 Å²	113.3	53%	0.529	58%	0.581	S	S	.	*			trans	-145.6	122.3	173.8	-160.2	-33.2	0	0	0	112.9	E401 T402 Q403	N399-E401 PolarHBondContact O-N 3.08Å; N399-E401 PolarHBondContact OD1-N 3.21Å; N399-T402 PolarHBondContact O-N 3.48Å; N399-Q403 PolarHBondContact O-N 2.83Å
400	F	48.8	Very low	51.4	Low	136 Å²	136	110.7 Å²	110.7	60%	0.596	56%	0.562	S	S	*	*	H	α-helix	trans	-60.9	-40.5	-177.2	176	-105.4	0	0	0	112.9	T402 Q403 K404	F400-T402 VanDerWaalsContact C-N 3.28Å; F400-T402 PolarHBondContact O-N 3.31Å; F400-Q403 PolarHBondContact O-N 2.77Å; F400-K404 HydrophobicContact CD1-CD 4.39Å; F400-K404 HydrophobicContact CE1-CD 3.89Å; F400-K404 HydrophobicContact CZ-CD 4.38Å; F400-K404 WeakPolarHBondContact O-CB 3.48Å; F400-K404 PolarHBondContact O-N 3Å
401	E	66.5	Low	53.2	Low	103 Å²	103	114.1 Å²	114.1	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-68.9	-31.1	-175.8	-143.3	62.1	-152.2	0	0	111.3	N399 K404 Q405	N399-E401 PolarHBondContact O-N 3.08Å; N399-E401 PolarHBondContact OD1-N 3.21Å; E401-K404 PolarHBondContact O-N 3.39Å; E401-K404 WeakPolarHBondContact OE1-CD 3.42Å; E401-K404 IonicContact OE1-NZ 3.49Å; E401-K404 PolarHBondContact OE1-NZ 2.79Å; E401-K404 IonicContact OE2-NZ 2.84Å; E401-K404 PolarHBondContact OE2-NZ 3.11Å; E401-Q405 WeakPolarHBondContact O-CB 3.31Å; E401-Q405 PolarHBondContact O-N 3.39Å
402	T	64.4	Low	54.8	Low	69 Å²	69	108.9 Å²	108.9	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-46	173.8	-46.4	0	0	0	0	111.8	N399 F400 K404 Q405 L406	N399-T402 PolarHBondContact O-N 3.48Å; F400-T402 VanDerWaalsContact C-N 3.28Å; F400-T402 PolarHBondContact O-N 3.31Å; T402-K404 VanDerWaalsContact C-N 3.3Å; T402-K404 PolarHBondContact O-N 3.43Å; T402-Q405 PolarHBondContact O-N 2.99Å; T402-L406 WeakPolarHBondContact O-CB 3.34Å; T402-L406 PolarHBondContact O-N 3.47Å
403	Q	53.5	Low	56.3	Low	85 Å²	85	108.5 Å²	108.5	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-58.4	-43.9	174.2	-73.8	-179.6	-38.3	0	0	111.3	Y397 N399 F400 L406 I407	Y397-Q403 HydrophobicContact CD1-CG 4.23Å; Y397-Q403 HydrophobicContact CE1-CG 4.29Å; N399-Q403 PolarHBondContact O-N 2.83Å; F400-Q403 PolarHBondContact O-N 2.77Å; Q403-L406 PolarHBondContact O-N 2.72Å; Q403-I407 WeakPolarHBondContact O-CB 3.34Å; Q403-I407 VanDerWaalsContact O-CG1 3.27Å; Q403-I407 WeakPolarHBondContact O-CG1 3.34Å; Q403-I407 PolarHBondContact O-N 3.03Å
404	K	72.7	Confident	56.8	Low	89 Å²	89	111.7 Å²	111.7	39%	0.387	55%	0.547	S	S	.	.	H	α-helix	trans	-67.2	-39.3	-176.6	-162	-175	-176.6	-170.1	0	112.5	F400 E401 T402 N408	F400-K404 HydrophobicContact CD1-CD 4.39Å; F400-K404 HydrophobicContact CE1-CD 3.89Å; F400-K404 HydrophobicContact CZ-CD 4.38Å; F400-K404 WeakPolarHBondContact O-CB 3.48Å; F400-K404 PolarHBondContact O-N 3Å; E401-K404 PolarHBondContact O-N 3.39Å; E401-K404 WeakPolarHBondContact OE1-CD 3.42Å; E401-K404 IonicContact OE1-NZ 3.49Å; E401-K404 PolarHBondContact OE1-NZ 2.79Å; E401-K404 IonicContact OE2-NZ 2.84Å; E401-K404 PolarHBondContact OE2-NZ 3.11Å; T402-K404 VanDerWaalsContact C-N 3.3Å; T402-K404 PolarHBondContact O-N 3.43Å; K404-N408 PolarHBondContact O-N 3.36Å; K404-N408 PolarHBondContact O-ND2 3.17Å
405	Q	73.4	Confident	58	Low	135 Å²	135	116.4 Å²	116.4	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-67.7	-41.4	173.6	-174.6	157	-3.1	0	0	111.7	E401 T402 N408 E409	E401-Q405 WeakPolarHBondContact O-CB 3.31Å; E401-Q405 PolarHBondContact O-N 3.39Å; T402-Q405 PolarHBondContact O-N 2.99Å; Q405-N408 WeakPolarHBondContact O-CA 3.37Å; Q405-N408 WeakPolarHBondContact O-CB 3.48Å; Q405-N408 PolarHBondContact O-N 2.84Å; Q405-N408 VanDerWaalsContact O-N 3.09Å; Q405-E409 PolarHBondContact O-N 3.33Å
406	L	62.9	Low	58.7	Low	52 Å²	52	114.1 Å²	114.1	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-39.1	178.9	-175.1	151.1	0	0	0	112.7	Y392 T402 Q403 N408 E409 L410	Y392-L406 HydrophobicContact CD1-CD1 4.48Å; Y392-L406 HydrophobicContact CE1-CD1 3.63Å; Y392-L406 HydrophobicContact CE1-CD2 3.91Å; Y392-L406 HydrophobicContact CE1-CG 4.08Å; Y392-L406 WeakPolarHBondContact OH-CD2 3.36Å; Y392-L406 WeakPolarHBondContact OH-CG 3.48Å; T402-L406 WeakPolarHBondContact O-CB 3.34Å; T402-L406 PolarHBondContact O-N 3.47Å; Q403-L406 PolarHBondContact O-N 2.72Å; L406-N408 VanDerWaalsContact C-N 3.26Å; L406-N408 PolarHBondContact O-N 3.43Å; L406-E409 PolarHBondContact O-N 3.47Å; L406-L410 HydrophobicContact CD2-CD1 3.92Å; L406-L410 WeakPolarHBondContact O-CG 3.24Å; L406-L410 PolarHBondContact O-N 3.47Å; L406-L410 VanDerWaalsContact O-N 3.08Å
407	I	72.4	Confident	59.2	Low	80 Å²	80	115 Å²	115	41%	0.41	55%	0.547	S	S	.	.	H	α-helix	trans	-60.2	-36.6	169.8	-73.5	164.4	0	0	0	111.2	Q403 R411	Q403-I407 WeakPolarHBondContact O-CB 3.34Å; Q403-I407 VanDerWaalsContact O-CG1 3.27Å; Q403-I407 WeakPolarHBondContact O-CG1 3.34Å; Q403-I407 PolarHBondContact O-N 3.03Å; I407-R411 WeakPolarHBondContact O-CB 3.47Å; I407-R411 WeakPolarHBondContact O-CD 3.47Å; I407-R411 VanDerWaalsContact O-CG 3.22Å; I407-R411 WeakPolarHBondContact O-CG 3.29Å; I407-R411 PolarHBondContact O-N 2.83Å
408	N	74.6	Confident	59.4	Low	93 Å²	93	112 Å²	112	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-73.4	-35.1	178.2	-73.1	-30.3	0	0	0	112.9	K404 Q405 L406 R411 G412	K404-N408 PolarHBondContact O-N 3.36Å; K404-N408 PolarHBondContact O-ND2 3.17Å; Q405-N408 WeakPolarHBondContact O-CA 3.37Å; Q405-N408 WeakPolarHBondContact O-CB 3.48Å; Q405-N408 PolarHBondContact O-N 2.84Å; Q405-N408 VanDerWaalsContact O-N 3.09Å; L406-N408 VanDerWaalsContact C-N 3.26Å; L406-N408 PolarHBondContact O-N 3.43Å; N408-R411 PolarHBondContact O-N 3Å; N408-G412 PolarHBondContact O-N 3.01Å
409	E	73.4	Confident	59.3	Low	118 Å²	118	109.8 Å²	109.8	55%	0.551	55%	0.549	S	S	*	.	H	α-helix	trans	-63.8	-46.7	171.2	-71	-163.5	158.2	0	0	111.8	Q405 L406 R411 G412 L413	Q405-E409 PolarHBondContact O-N 3.33Å; L406-E409 PolarHBondContact O-N 3.47Å; E409-R411 VanDerWaalsContact C-N 3.32Å; E409-R411 PolarHBondContact O-N 2.94Å; E409-G412 WeakPolarHBondContact O-CA 3.33Å; E409-G412 PolarHBondContact O-N 3.37Å; E409-L413 PolarHBondContact O-N 3.15Å
410	L	66.3	Low	58.9	Low	84 Å²	84	114.8 Å²	114.8	44%	0.44	57%	0.565	S	S	.	*	H	α-helix	trans	-59.7	-41.3	176.2	-70	172	0	0	0	111.9	L406 G412 L413 Y414	L406-L410 HydrophobicContact CD2-CD1 3.92Å; L406-L410 WeakPolarHBondContact O-CG 3.24Å; L406-L410 PolarHBondContact O-N 3.47Å; L406-L410 VanDerWaalsContact O-N 3.08Å; L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 2.8Å; L410-L413 PolarHBondContact O-N 3.34Å; L410-Y414 PolarHBondContact O-N 3.1Å
411	R	69.6	Low	58.1	Low	163 Å²	163	115.1 Å²	115.1	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-30.3	172.3	-75.2	169.5	173	-177.3	-3.3	113.1	I407 N408 E409 R415	I407-R411 WeakPolarHBondContact O-CB 3.47Å; I407-R411 WeakPolarHBondContact O-CD 3.47Å; I407-R411 VanDerWaalsContact O-CG 3.22Å; I407-R411 WeakPolarHBondContact O-CG 3.29Å; I407-R411 PolarHBondContact O-N 2.83Å; N408-R411 PolarHBondContact O-N 3Å; E409-R411 VanDerWaalsContact C-N 3.32Å; E409-R411 PolarHBondContact O-N 2.94Å; R411-R415 WeakPolarHBondContact O-CG 3.45Å; R411-R415 PolarHBondContact O-N 3.16Å
412	G	64.8	Low	56.3	Low	31 Å²	31	118.8 Å²	118.8	32%	0.32	60%	0.596	S	S	.	*	H	α-helix	trans	-68.3	-49.5	172.8	0	0	0	0	0	112.2	N408 E409 L410 Y414 R415 N416	N408-G412 PolarHBondContact O-N 3.01Å; E409-G412 WeakPolarHBondContact O-CA 3.33Å; E409-G412 PolarHBondContact O-N 3.37Å; L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 2.8Å; G412-Y414 VanDerWaalsContact C-N 3.34Å; G412-Y414 PolarHBondContact O-N 2.98Å; G412-R415 PolarHBondContact O-N 2.93Å; G412-N416 PolarHBondContact O-N 3.06Å
413	L	61.3	Low	54.8	Low	115 Å²	115	121.1 Å²	121.1	60%	0.602	61%	0.612	S	S	*	*	H	α-helix	trans	-60.1	-42.9	177.2	-65.9	174.4	0	0	0	111.8	E409 L410 R415 N416 S417	E409-L413 PolarHBondContact O-N 3.15Å; L410-L413 PolarHBondContact O-N 3.34Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 PolarHBondContact O-N 2.99Å; L413-N416 PolarHBondContact O-N 3Å; L413-S417 PolarHBondContact O-N 2.84Å; L413-S417 PolarHBondContact O-OG 3.31Å
414	Y	44	Very low	53.7	Low	195 Å²	195	126 Å²	126	77%	0.765	63%	0.632	S	S	*	*	H	α-helix	trans	-68.1	-21.6	177.9	-123.1	-84.9	0	0	0	114.5	L410 G412 S417	L410-Y414 PolarHBondContact O-N 3.1Å; G412-Y414 VanDerWaalsContact C-N 3.34Å; G412-Y414 PolarHBondContact O-N 2.98Å; Y414-S417 PolarHBondContact O-OG 3.09Å
415	R	60.4	Low	51.7	Low	210 Å²	210	132.9 Å²	132.9	79%	0.792	66%	0.657	S	S	*	*	H	α-helix	trans	-76.8	-36.3	171.3	-82.2	-177.2	175.5	-176.4	0.4	112.2	R411 G412 L413	R411-R415 WeakPolarHBondContact O-CG 3.45Å; R411-R415 PolarHBondContact O-N 3.16Å; G412-R415 PolarHBondContact O-N 2.93Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 PolarHBondContact O-N 2.99Å
416	N	52.3	Low	49.7	Very low	134 Å²	134	132 Å²	132	72%	0.717	67%	0.666	S	S	*	*	H	α-helix	trans	-79.4	-17.7	-173.3	-67.9	-12	0	0	0	113.6	G412 L413	G412-N416 PolarHBondContact O-N 3.06Å; L413-N416 PolarHBondContact O-N 3Å
417	S	44.7	Very low	48.1	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	1	179.8	53.2	0	0	0	0	115.2	L413 Y414	L413-S417 PolarHBondContact O-N 2.84Å; L413-S417 PolarHBondContact O-OG 3.31Å; Y414-S417 PolarHBondContact O-OG 3.09Å
418	S	37.8	Very low	46.3	Very low	98 Å²	98	143 Å²	143	69%	0.685	72%	0.719	S	S	*	*			trans	-109	70.4	-170.2	-160.8	0	0	0	0	114.2
419	T	39.3	Very low	44.5	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	73%	0.731	S	S	*	*			trans	-128.3	73.4	177.4	42	0	0	0	0	113.8
420	K	34.4	Very low	42.5	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	74%	0.744	S	S	*	*			trans	33.8	105.7	155.9	-73.9	-178.6	173.2	175.8	0	118.8
421	T	32.4	Very low	41	Very low	143 Å²	143	148.8 Å²	148.8	88%	0.877	76%	0.759	S	S	*	*			trans	-129.6	136.4	131.6	49.6	0	0	0	0	109.1
422	Q	27	Very low	39.1	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	76%	0.759	S	S	*	*			trans	-130.8	128.7	174.1	-84.1	-162.2	-16.1	0	0	110.2
423	P	32.7	Very low	37.7	Very low	118 Å²	118	152.9 Å²	152.9	77%	0.766	77%	0.774	S	S	*	*			trans	-83.6	125.2	164.2	31.5	-28.1	0	0	0	110.2
424	K	30.6	Very low	36.2	Very low	186 Å²	186	154.7 Å²	154.7	81%	0.809	78%	0.78	S	S	*	*			trans	-96	129.2	162	-77.4	-175.6	175.4	-176.2	0	108.8
425	Y	30.6	Very low	35.7	Very low	234 Å²	234	151.9 Å²	151.9	92%	0.918	78%	0.777	S	S	*	*			trans	-138.8	134.6	154	-78.8	-72.1	0	0	0	110
426	S	31.9	Very low	34.3	Very low	117 Å²	117	152.3 Å²	152.3	82%	0.818	78%	0.78	S	S	*	*			trans	-113.7	137.7	176	51.8	0	0	0	0	109.7
427	L	30.3	Very low	33.3	Very low	172 Å²	172	156 Å²	156	90%	0.901	79%	0.785	S	S	*	*			trans	-63.3	141.7	175.5	-62.5	156.3	0	0	0	111.5
428	Q	33.5	Very low	33	Very low	192 Å²	192	157.8 Å²	157.8	90%	0.897	80%	0.795	S	S	*	*				-168	160.3	122.7	-99.8	-167.8	-4.2	0	0	110.3
429	P	37	Very low	32.7	Very low	115 Å²	115	160.5 Å²	160.5	75%	0.747	80%	0.801	S	S	*	*			trans	-132.4	166.6	-147.5	44.2	-29.8	0	0	0	117.9
430	N	31.9	Very low	32.8	Very low	153 Å²	153	160.3 Å²	160.3	82%	0.818	80%	0.802	S	S	*	*			trans	81.6	161.1	143.5	-140	0.5	0	0	0	120.4
431	I	34.4	Very low	32.8	Very low	147 Å²	147	156.2 Å²	156.2	75%	0.754	80%	0.799	S	S	*	*			trans	74.1	135.8	172.1	-54.3	167.8	0	0	0	115
432	E	28.9	Very low	33.5	Very low	131 Å²	131	155.4 Å²	155.4	61%	0.612	80%	0.796	S	S	*	*			cis	-173.3	162.3	-30.2	-151	-162	143.8	0	0	108
433	K	36.1	Very low	33.9	Very low	149 Å²	149	152.4 Å²	152.4	65%	0.648	80%	0.796	S	S	*	*			trans	65.8	151.8	161.6	-72	156.9	176.9	133	0	117.4
434	Q	30.9	Very low	34.1	Very low	154 Å²	154	152.5 Å²	152.5	72%	0.72	80%	0.799	S	S	*	*			cis	-166.5	164.9	-20.3	-124.5	179.6	-13.3	0	0	111.1
435	I	32.9	Very low	34.4	Very low	135 Å²	135	148.6 Å²	148.6	69%	0.692	80%	0.795	S	S	*	*			trans	84.5	125.8	142.2	-79	165.5	0	0	0	122.9
436	Y	30.8	Very low	34.8	Very low	219 Å²	219	143.7 Å²	143.7	86%	0.859	79%	0.792	S	S	*	*			trans	87.4	144.5	150.6	-106.6	-118.2	0	0	0	125.1
437	Y	31.5	Very low	35	Very low	212 Å²	212	144.1 Å²	144.1	83%	0.831	79%	0.79	S	S	*	*			trans	-114.7	170.1	174.1	-70.3	-94	0	0	0	110.2
438	P	37.5	Very low	35.7	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	78%	0.777	S	S	*	*				-148.2	165.1	112.6	37.7	-22.1	0	0	0	116.8
439	N	31.6	Very low	35.8	Very low	154 Å²	154	137.2 Å²	137.2	82%	0.824	77%	0.765	S	S	*	*			trans	-87	162.4	167	-117.9	-7.9	0	0	0	111
440	P	41	Very low	35.9	Very low	123 Å²	123	141.4 Å²	141.4	80%	0.799	77%	0.768	S	S	*	*				-152.6	-178.5	114.1	38.4	-19.8	0	0	0	117.2
441	S	34.6	Very low	36.1	Very low	117 Å²	117	143 Å²	143	82%	0.818	77%	0.77	S	S	*	*			trans	-97	177	-167.2	-43.5	0	0	0	0	115.4
442	P	46.9	Very low	36.2	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	76%	0.761	S	S	*	*			trans	-110.8	165.1	-162	41.3	-35.7	0	0	0	118.5
443	S	36.8	Very low	36.5	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	77%	0.77	S	S	*	*			trans	-169.7	161.9	162.9	51.3	0	0	0	0	108.8
444	S	36.8	Very low	36.4	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	76%	0.761	S	S	*	*			cis	-160.9	173.9	-16.4	47.2	0	0	0	0	109.3
445	S	35.4	Very low	36.7	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	77%	0.766	S	S	*	*			trans	-93.2	170.3	-177.3	58.5	0	0	0	0	115.1
446	P	39.4	Very low	36.7	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	77%	0.767	S	S	*	*				-144	-178.2	105	38.2	-22	0	0	0	116.7
447	T	37	Very low	36.8	Very low	127 Å²	127	134.5 Å²	134.5	78%	0.779	77%	0.767	S	S	*	*			trans	-117.6	-160	-164.2	3.8	0	0	0	0	112
448	P	44.1	Very low	37	Very low	96 Å²	96	131 Å²	131	62%	0.623	76%	0.761	S	S	*	*			cis	-138.3	-178.3	-27.2	28.2	-4.9	0	0	0	115.5
449	N	36.9	Very low	37	Very low	122 Å²	122	130.3 Å²	130.3	65%	0.652	76%	0.756	S	S	*	*				142.5	123.3	123.6	-80.2	-25.6	0	0	0	118.1
450	Y	37.4	Very low	37	Very low	203 Å²	203	127.5 Å²	127.5	80%	0.796	75%	0.754	S	S	*	*			trans	37.6	156.6	139.9	-57.7	-70	0	0	0	122.8
451	Q	36.7	Very low	36.6	Very low	187 Å²	187	126.7 Å²	126.7	87%	0.874	75%	0.752	S	S	*	*			cis	-151	167.7	10.5	-143.1	163.2	3.9	0	0	112.6
452	A	36	Very low	36.5	Very low	68 Å²	68	126.8 Å²	126.8	56%	0.562	75%	0.753	S	S	*	*			trans	-103.1	160	-164.1	0	0	0	0	0	116.6	L117	L117-A452 HydrophobicContact CD1-CB 3.42Å; L117-A452 VanDerWaalsContact CD1-CB 3.42Å
453	N	35.7	Very low	35.9	Very low	151 Å²	151	125.6 Å²	125.6	81%	0.807	75%	0.747	S	S	*	*			trans	-163.2	171.2	133.2	-124.1	-25.7	0	0	0	113.8
454	S	34.9	Very low	35.8	Very low	66 Å²	66	125.5 Å²	125.5	46%	0.462	74%	0.737	S	S	.	*			trans	-139.2	153.4	-169.7	62.1	0	0	0	0	115.1
455	N	36.9	Very low	35.6	Very low	152 Å²	152	127 Å²	127	81%	0.813	73%	0.731	S	S	*	*				171.4	155.3	122.8	-82.1	-10.9	0	0	0	114.9
456	S	33.1	Very low	35.6	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	73%	0.73	S	S	*	*			trans	-42.2	147.4	178.2	55.5	0	0	0	0	120.3
457	Y	31.9	Very low	35.2	Very low	218 Å²	218	130.5 Å²	130.5	86%	0.855	72%	0.724	S	S	*	*				-169.6	-172.6	95.9	-145.8	-110	0	0	0	112.4
458	I	36.8	Very low	35	Very low	138 Å²	138	131.1 Å²	131.1	71%	0.708	72%	0.721	S	S	*	*			trans	-115.4	-173.8	-167	-16.4	-179.2	0	0	0	112.4
459	P	37.4	Very low	34.4	Very low	113 Å²	113	134.4 Å²	134.4	73%	0.734	73%	0.732	S	S	*	*				-123.4	-167.3	-113.7	45.4	-28.9	0	0	0	116.3
460	A	31.8	Very low	34.1	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	74%	0.741	S	S	*	*			trans	72.8	151.6	164.3	0	0	0	0	0	116.7
461	S	31.7	Very low	33.9	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	74%	0.743	S	S	*	*			cis	-162.6	-166.7	-11.3	49.7	0	0	0	0	109.6
462	S	33.4	Very low	33.6	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	74%	0.735	S	S	*	*			trans	76.3	151	176.6	81.9	0	0	0	0	116.1
463	S	32.7	Very low	33.4	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	75%	0.748	S	S	*	*			cis	-165.5	-178	-28.8	-163.4	0	0	0	0	110.2
464	D	34.8	Very low	33.1	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	73%	0.733	S	S	*	*			trans	88.6	123.8	142	-86.2	40.1	0	0	0	124
465	Q	34.4	Very low	32.9	Very low	150 Å²	150	136.4 Å²	136.4	70%	0.701	74%	0.742	S	S	*	*			trans	93.8	123.1	134.2	-70.3	173.2	42.8	0	0	123.6
466	H	34.3	Very low	32.6	Very low	153 Å²	153	133 Å²	133	71%	0.708	72%	0.724	S	S	*	*			trans	66.8	151.8	146.8	-75.2	-119.5	0	0	0	118.8
467	E	32.1	Very low	32.5	Very low	155 Å²	155	130.6 Å²	130.6	72%	0.724	70%	0.703	S	S	*	*			cis	-146.2	177.7	1.3	-151.6	150.9	-126.5	0	0	115
468	I	31.2	Very low	32.3	Very low	140 Å²	140	124.1 Å²	124.1	72%	0.718	68%	0.683	S	S	*	*			trans	-54.9	144.1	-175.5	-63.6	153.2	0	0	0	116.8
469	I	33.1	Very low	31.9	Very low	165 Å²	165	124 Å²	124	85%	0.846	68%	0.684	S	S	*	*			trans	-157.9	141.5	130.5	-98.8	151.2	0	0	0	109.3
470	K	29.7	Very low	31.5	Very low	194 Å²	194	123.2 Å²	123.2	84%	0.843	68%	0.681	S	S	*	*			trans	-147.9	130.9	179.1	-85.3	-175.8	176.5	175.3	0	112.5
471	T	33.6	Very low	31.3	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	69%	0.687	S	S	*	*			trans	-148.1	132.2	155.8	45.6	0	0	0	0	111.7
472	N	29	Very low	31.1	Very low	134 Å²	134	130.5 Å²	130.5	72%	0.717	69%	0.688	S	S	*	*			trans	9.9	143.7	152	-80	-48.4	0	0	0	119.8
473	I	33.2	Very low	30.7	Very low	160 Å²	160	135.7 Å²	135.7	82%	0.821	69%	0.689	S	S	*	*			cis	-143.3	127.7	37.4	-63	163.8	0	0	0	107.5
474	N	29	Very low	30.4	Very low	95 Å²	95	136.4 Å²	136.4	51%	0.508	69%	0.694	S	S	.	*			cis	82.5	70.8	48.2	-164.4	1.1	0	0	0	115.9	R385	R385-N474 PolarHBondContact NH1-OD1 3.47Å
475	N	31	Very low	30.1	Very low	120 Å²	120	138.5 Å²	138.5	64%	0.642	70%	0.697	S	S	*	*			trans	-166.3	71.7	143.8	-101	-24.8	0	0	0	108.3	R385	R385-N475 VanDerWaalsContact CD-OD1 3.26Å; R385-N475 WeakPolarHBondContact CD-OD1 3.46Å; R385-N475 PolarHBondContact NH1-OD1 3.21Å
476	N	29.9	Very low	29.7	Very low	80 Å²	80	137.2 Å²	137.2	43%	0.428	70%	0.704	S	S	.	*				74.3	174.5	89.8	-140.6	96.6	0	0	0	112.5	Q384 R385	Q384-N476 PolarHBondContact O-ND2 3.5Å; Q384-N476 VanDerWaalsContact O-ND2 3.13Å; R385-N476 HydrophobicContact CB-CB 3.97Å; R385-N476 WeakPolarHBondContact CB-ND2 3.34Å; R385-N476 HydrophobicContact CG-CB 4.38Å; R385-N476 PolarHBondContact NH2-OD1 3.44Å; R385-N476 VanDerWaalsContact NH2-OD1 3.14Å
477	N	30.4	Very low	29.5	Very low	53 Å²	53	133.9 Å²	133.9	28%	0.283	70%	0.698	S	S	.	*			trans	132.3	126.2	157.5	-60.4	-17.3	0	0	0	113	R385 T386 T387	R385-N477 WeakPolarHBondContact CB-OD1 3.48Å; R385-N477 VanDerWaalsContact O-CA 3.3Å; R385-N477 WeakPolarHBondContact O-CA 3.4Å; R385-N477 WeakPolarHBondContact O-CB 3.47Å; R385-N477 PolarHBondContact O-OD1 2.99Å; T386-N477 VanDerWaalsContact C-ND2 3.27Å; T386-N477 VanDerWaalsContact CA-CG 3.49Å; T386-N477 WeakPolarHBondContact CA-OD1 3.27Å; T386-N477 PolarHBondContact N-OD1 3.34Å; T387-N477 PolarHBondContact N-ND2 2.89Å; T387-N477 PolarHBondContact O-ND2 2.92Å; T387-N477 VanDerWaalsContact O-ND2 3.16Å; T387-N477 PolarHBondContact OG1-ND2 3.19Å
478	N	29.1	Very low	29.4	Very low	82 Å²	82	133.8 Å²	133.8	44%	0.439	70%	0.702	S	S	.	*			trans	-114.6	165.7	179	-74	-5.3	0	0	0	111.2	R385	R385-N478 PolarHBondContact O-N 3.11Å
479	N	28.5	Very low	29.3	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	70%	0.702	S	S	*	*			trans	106.2	99.5	166.1	-56.8	3.2	0	0	0	112.8
480	S	28.9	Very low	29.2	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	70%	0.697	S	S	*	*				80.8	123.8	55.5	77.2	0	0	0	0	114.1
481	Y	26.2	Very low	29.3	Very low	228 Å²	228	130.9 Å²	130.9	89%	0.894	68%	0.68	S	S	*	*			trans	47.5	110.7	145.6	-103.2	-105.9	0	0	0	118.3
482	V	27.4	Very low	29.3	Very low	126 Å²	126	130 Å²	130	76%	0.764	68%	0.68	S	S	*	*				-174.6	131.8	96.4	151.3	0	0	0	0	110.6	S484	V482-S484 PolarHBondContact O-N 2.63Å
483	R	25.8	Very low	29.4	Very low	229 Å²	229	132.3 Å²	132.3	86%	0.864	68%	0.679	S	S	*	*			trans	-63.6	107.5	167.3	173.8	-162	-161.5	174.2	7.5	110.6
484	S	27.5	Very low	29.3	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	68%	0.676	S	S	*	*			trans	-99.2	144.4	163.1	-163	0	0	0	0	110.7	V482	V482-S484 PolarHBondContact O-N 2.63Å
485	K	27.4	Very low	29.4	Very low	161 Å²	161	128.6 Å²	128.6	70%	0.7	69%	0.687	S	S	*	*			trans	-96.9	129.8	178.7	-60.9	174.8	-178.3	175.6	0	109	S487	K485-S487 PolarHBondContact O-N 3.38Å
486	C	26.6	Very low	29.3	Very low	124 Å²	124	130.7 Å²	130.7	84%	0.838	70%	0.697	S	S	*	*			trans	-84.7	101.7	147.6	-160.6	0	0	0	0	105.9
487	S	29.5	Very low	29.5	Very low	83 Å²	83	133 Å²	133	58%	0.58	71%	0.714	S	S	*	*			trans	-110.8	91.3	-179.2	54.9	0	0	0	0	109.6	K485	K485-S487 PolarHBondContact O-N 3.38Å
488	D	31.1	Very low	29.4	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	74%	0.737	S	S	*	*			trans	-58.8	136.5	165.4	-70.8	-58.4	0	0	0	110	Y490	D488-Y490 PolarHBondContact O-N 3.49Å
489	V	28.4	Very low	29.6	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	76%	0.76	S	S	*	*			trans	-84.9	103.1	-158.4	-178.8	0	0	0	0	111.1	R491	V489-R491 HydrophobicContact CG1-CB 4.32Å
490	Y	31.5	Very low	29.7	Very low	187 Å²	187	143.5 Å²	143.5	73%	0.733	77%	0.769	S	S	*	*			trans	-111.2	87.8	155.1	-114.2	-69.9	0	0	0	110.1	D488	D488-Y490 PolarHBondContact O-N 3.49Å
491	R	30.6	Very low	29.8	Very low	132 Å²	132	142.2 Å²	142.2	50%	0.498	77%	0.771	S	S	.	*			trans	-69.9	132.6	175.8	-128.3	-178.7	-165.2	-172	15.7	109.5	D9 V489 Y493	D9-R491 IonicContact OD1-CZ 3.67Å; D9-R491 IonicContact OD1-NH1 2.79Å; D9-R491 PolarHBondContact OD1-NH1 2.94Å; D9-R491 IonicContact OD1-NH2 3.45Å; D9-R491 IonicContact OD2-CZ 2.88Å; D9-R491 IonicContact OD2-NH1 2.84Å; D9-R491 PolarHBondContact OD2-NH1 3.4Å; D9-R491 IonicContact OD2-NH2 3.65Å; D9-R491 PolarHBondContact OD2-NH2 2.87Å; V489-R491 HydrophobicContact CG1-CB 4.32Å; R491-Y493 HydrophobicContact CG-CE2 4.19Å; R491-Y493 VanDerWaalsContact CZ-OH 3.24Å; R491-Y493 PolarHBondContact NE-OH 2.74Å
492	S	33.2	Very low	30.2	Very low	117 Å²	117	138 Å²	138	82%	0.818	77%	0.77	S	S	*	*			trans	-146.7	109.9	165.1	-165.7	0	0	0	0	108.7	G494	S492-G494 PolarHBondContact O-N 2.9Å
493	Y	31	Very low	30.4	Very low	182 Å²	182	139 Å²	139	71%	0.714	77%	0.77	S	S	*	*			trans	-78.3	102.8	-175.4	-83.2	-82.9	0	0	0	111.4	R491 S495	R491-Y493 HydrophobicContact CG-CE2 4.19Å; R491-Y493 VanDerWaalsContact CZ-OH 3.24Å; R491-Y493 PolarHBondContact NE-OH 2.74Å; Y493-S495 PolarHBondContact O-N 3.3Å
494	G	31.5	Very low	30.8	Very low	72 Å²	72	135 Å²	135	74%	0.742	77%	0.767	S	S	*	*			trans	-86.6	90.7	161.8	0	0	0	0	0	110.4	S492 L496	S492-G494 PolarHBondContact O-N 2.9Å; G494-L496 PolarHBondContact O-N 3.49Å
495	S	32.2	Very low	31.3	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	76%	0.762	S	S	*	*			trans	-73.1	119.3	176.2	-169.7	0	0	0	0	111	Y493	Y493-S495 PolarHBondContact O-N 3.3Å
496	L	28.3	Very low	31.6	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	77%	0.769	S	S	*	*			trans	-101.6	102.3	173.8	-89.7	160.2	0	0	0	109.4	G494	G494-L496 PolarHBondContact O-N 3.49Å
497	T	34.1	Very low	32.2	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	76%	0.764	S	S	*	*			trans	-107.6	106.5	167.1	46	0	0	0	0	110.1
498	T	28	Very low	32.3	Very low	126 Å²	126	133.8 Å²	133.8	77%	0.773	78%	0.777	S	S	*	*			trans	-75.6	133.2	171.3	49.1	0	0	0	0	110.8
499	N	34.4	Very low	32.3	Very low	169 Å²	169	134 Å²	134	90%	0.904	78%	0.776	S	S	*	*			trans	-148.9	155.6	151.9	-104.7	-40.2	0	0	0	110.8
500	Q	30.5	Very low	32.5	Very low	194 Å²	194	137.1 Å²	137.1	91%	0.907	79%	0.785	S	S	*	*			trans	-106.6	158.7	-168.8	-62.1	178.5	-3.3	0	0	112.4
501	G	30.2	Very low	32.5	Very low	72 Å²	72	137 Å²	137	74%	0.742	79%	0.789	S	S	*	*			trans	100	144.4	171.9	0	0	0	0	0	113.9
502	T	35.8	Very low	32.6	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	81%	0.806	S	S	*	*			cis	-144.1	162.6	-1.1	47.8	0	0	0	0	112.1
503	N	29.8	Very low	32.5	Very low	145 Å²	145	144 Å²	144	78%	0.775	81%	0.805	S	S	*	*			trans	-53.8	152.5	-177.6	-44.2	-25.8	0	0	0	114.5
504	N	35	Very low	32.3	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	81%	0.809	S	S	*	*				179.7	131.2	111.3	-88.1	-14.6	0	0	0	113.8
505	S	38	Very low	32.3	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	81%	0.814	S	S	*	*			trans	27.8	143.6	141.7	61.3	0	0	0	0	121.8
506	D	34.4	Very low	32.1	Very low	158 Å²	158	148.7 Å²	148.7	85%	0.845	82%	0.82	S	S	*	*			cis	-166.1	-179.7	-13.7	-129	8.9	0	0	0	107.7
507	P	38.4	Very low	32.2	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	82%	0.815	S	S	*	*			trans	-105.2	158.8	-152.5	24.2	-6.7	0	0	0	116.8
508	G	32.6	Very low	31.9	Very low	82 Å²	82	149 Å²	149	85%	0.845	81%	0.813	S	S	*	*			trans	-117	110.2	170.3	0	0	0	0	0	112.5
509	I	29.9	Very low	32.1	Very low	157 Å²	157	147.6 Å²	147.6	81%	0.805	80%	0.799	S	S	*	*			trans	-79.4	129.1	177.5	-63.7	168.9	0	0	0	110.4
510	M	33.4	Very low	31.9	Very low	185 Å²	185	146.1 Å²	146.1	91%	0.911	80%	0.796	S	S	*	*			trans	-143.5	155.8	150.7	-105.9	-172.7	73.4	0	0	111.8
511	K	32.1	Very low	32.2	Very low	184 Å²	184	140.3 Å²	140.3	80%	0.8	77%	0.774	S	S	*	*			trans	-91.9	147.4	-161.3	-67.2	179.5	176.8	179.8	0	114.2
512	E	32.7	Very low	32.7	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	76%	0.755	S	S	*	*			trans	-20.8	130.2	147.4	-177.9	175.4	-125.3	0	0	115.4
513	R	29.9	Very low	32.7	Very low	212 Å²	212	143.2 Å²	143.2	80%	0.8	76%	0.76	S	S	*	*			trans	-173.1	133.3	143.7	-104.5	176.3	-63.1	170.3	7.5	111.4
514	D	27.4	Very low	33.5	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	76%	0.755	S	S	*	*			trans	35.5	114.2	142	-42.9	-34.3	0	0	0	120.1
515	C	31.7	Very low	33.9	Very low	125 Å²	125	135.5 Å²	135.5	85%	0.845	73%	0.729	S	S	*	*			trans	-145.7	56.2	159.1	56.3	0	0	0	0	112.2	E517	C515-E517 VanDerWaalsContact C-N 3.33Å; C515-E517 PolarHBondContact O-N 3.33Å; C515-E517 VanDerWaalsContact O-N 3.07Å
516	E	28	Very low	34.3	Very low	184 Å²	184	131.2 Å²	131.2	86%	0.86	70%	0.699	S	S	*	*			trans	-74.5	80.1	165.2	-74.5	-157.6	130.4	0	0	110.8
517	E	29.8	Very low	34.8	Very low	165 Å²	165	128.3 Å²	128.3	77%	0.771	68%	0.676	S	S	*	*			trans	-124.1	112.4	173.6	-68.9	-157.1	142.2	0	0	114.2	C515	C515-E517 VanDerWaalsContact C-N 3.33Å; C515-E517 PolarHBondContact O-N 3.33Å; C515-E517 VanDerWaalsContact O-N 3.07Å
518	N	27.9	Very low	34.9	Very low	136 Å²	136	126.1 Å²	126.1	73%	0.727	66%	0.66	S	S	*	*			trans	57.6	70	137.5	-55.3	-43.5	0	0	0	118.5	T520	N518-T520 PolarHBondContact O-N 3.2Å
519	I	32.4	Very low	35	Very low	96 Å²	96	124.5 Å²	124.5	49%	0.492	64%	0.635	S	S	.	*			trans	-80.7	105.8	147.7	-59.9	177.5	0	0	0	107.5	V521 W527	I519-V521 HydrophobicContact CG2-CG2 3.99Å; I519-V521 PolarHBondContact O-N 3.27Å; I519-V521 VanDerWaalsContact O-N 3.07Å; I519-W527 HydrophobicContact CG2-CH2 4.41Å; I519-W527 HydrophobicContact CG2-CZ2 4.12Å
520	T	30	Very low	35.2	Very low	137 Å²	137	124.5 Å²	124.5	84%	0.84	64%	0.637	S	S	*	*			trans	-69.5	101.2	170.6	36.2	0	0	0	0	110.2	N518	N518-T520 PolarHBondContact O-N 3.2Å
521	V	36.3	Very low	35	Very low	73 Å²	73	124.6 Å²	124.6	44%	0.442	64%	0.635	S	S	.	*			trans	-90	129.6	171	-176	0	0	0	0	107.6	I519 I760	I519-V521 HydrophobicContact CG2-CG2 3.99Å; I519-V521 PolarHBondContact O-N 3.27Å; I519-V521 VanDerWaalsContact O-N 3.07Å; V521-I760 HydrophobicContact CG2-CD1 4.44Å
522	N	42.4	Very low	34.8	Very low	63 Å²	63	121 Å²	121	34%	0.337	63%	0.628	S	S	.	*			trans	-67	161.7	171.7	56.1	6.3	0	0	0	110.9	T524 G525 C526 T528	N522-T524 PolarHBondContact ND2-OG1 3.43Å; N522-T524 PolarHBondContact O-N 2.89Å; N522-T524 PolarHBondContact OD1-OG1 2.93Å; N522-G525 PolarHBondContact O-N 3.19Å; N522-G525 PolarHBondContact OD1-N 2.97Å; N522-C526 PolarHBondContact ND2-O 2.99Å; N522-C526 PolarHBondContact OD1-N 3.02Å; N522-C526 PolarHBondContact OD1-O 3.45Å; N522-C526 VanDerWaalsContact OD1-O 3.07Å; N522-T528 PolarHBondContact ND2-OG1 3.13Å; N522-T528 VanDerWaalsContact ND2-OG1 3.17Å
523	E	35.7	Very low	34.6	Very low	209 Å²	209	121.9 Å²	121.9	98%	0.977	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-18.8	-176.8	-61.4	-173.4	138.3	0	0	113.8
524	T	46.6	Very low	34.6	Very low	108 Å²	108	116.3 Å²	116.3	66%	0.663	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0	177.6	57	0	0	0	0	114.7	N522 C526	N522-T524 PolarHBondContact ND2-OG1 3.43Å; N522-T524 PolarHBondContact O-N 2.89Å; N522-T524 PolarHBondContact OD1-OG1 2.93Å; T524-C526 VanDerWaalsContact C-N 3.32Å; T524-C526 PolarHBondContact O-N 3.05Å
525	G	42.5	Very low	34.6	Very low	23 Å²	23	121 Å²	121	24%	0.237	63%	0.626	C	S	.	*			trans	68.6	23.9	172.5	0	0	0	0	0	115.2	N522 I760 R761	N522-G525 PolarHBondContact O-N 3.19Å; N522-G525 PolarHBondContact OD1-N 2.97Å; G525-I760 WeakPolarHBondContact O-CG2 3.41Å; G525-R761 PolarHBondContact O-N 2.6Å
526	C	45.5	Very low	34.5	Very low	12 Å²	12	125 Å²	125	8%	0.081	62%	0.623	C	S	.	*	B	Isolated β-bridge	trans	-138	137.7	-162.3	-165.7	0	0	0	0	113.8	N522 T524 T528 R761	N522-C526 PolarHBondContact ND2-O 2.99Å; N522-C526 PolarHBondContact OD1-N 3.02Å; N522-C526 PolarHBondContact OD1-O 3.45Å; N522-C526 VanDerWaalsContact OD1-O 3.07Å; T524-C526 VanDerWaalsContact C-N 3.32Å; T524-C526 PolarHBondContact O-N 3.05Å; C526-T528 VanDerWaalsContact C-N 3.26Å; C526-T528 HydrophobicContact CB-CG2 4.28Å; C526-T528 PolarHBondContact O-N 3.49Å; C526-R761 WeakPolarHBondContact CA-O 3.06Å
527	W	45.6	Very low	34.5	Very low	97 Å²	97	122.8 Å²	122.8	37%	0.367	62%	0.617	S	S	.	*			trans	-74.5	74.9	175	-68.2	77.3	0	0	0	111.7	I519 K726 F805	I519-W527 HydrophobicContact CG2-CH2 4.41Å; I519-W527 HydrophobicContact CG2-CZ2 4.12Å; W527-K726 HydrophobicContact CE3-CD 4.31Å; W527-K726 HydrophobicContact CH2-CD 3.62Å; W527-K726 HydrophobicContact CZ2-CD 4.05Å; W527-K726 HydrophobicContact CZ3-CD 3.73Å; W527-F805 HydrophobicContact CB-CE1 4.3Å
528	T	41.2	Very low	34.6	Very low	67 Å²	67	121.4 Å²	121.4	41%	0.411	62%	0.624	S	S	.	*			trans	-106.7	120.5	174.7	53.4	0	0	0	0	110.7	N522 C526	N522-T528 PolarHBondContact ND2-OG1 3.13Å; N522-T528 VanDerWaalsContact ND2-OG1 3.17Å; C526-T528 VanDerWaalsContact C-N 3.26Å; C526-T528 HydrophobicContact CB-CG2 4.28Å; C526-T528 PolarHBondContact O-N 3.49Å
529	P	35.1	Very low	34.7	Very low	49 Å²	49	123.4 Å²	123.4	32%	0.318	63%	0.634	S	S	.	*			trans	-58.1	147.6	157	-20.9	34.2	0	0	0	110.1
530	D	32.9	Very low	34.8	Very low	157 Å²	157	126.3 Å²	126.3	84%	0.84	64%	0.643	S	S	*	*			trans	-56.4	138.6	-173.2	-84	-52.5	0	0	0	114	V532	D530-V532 PolarHBondContact O-N 3.49Å
531	Q	30.4	Very low	34.8	Very low	186 Å²	186	123.8 Å²	123.8	87%	0.869	64%	0.636	S	S	*	*			trans	-78.5	89.8	178.1	-68.1	-168.9	7.9	0	0	111.4
532	V	27.1	Very low	34.9	Very low	109 Å²	109	128.8 Å²	128.8	66%	0.661	66%	0.66	S	S	*	*			trans	-116.9	49	166.4	-160.2	0	0	0	0	111.4	D530 T534	D530-V532 PolarHBondContact O-N 3.49Å; V532-T534 HydrophobicContact CG1-CG2 4.46Å; V532-T534 PolarHBondContact O-N 3.43Å
533	F	27.8	Very low	34.5	Very low	203 Å²	203	130.9 Å²	130.9	89%	0.89	68%	0.68	S	S	*	*			trans	-87.5	53.3	162.4	-86.5	-74.3	0	0	0	111.3	R535	F533-R535 PolarHBondContact O-N 2.95Å; F533-R535 VanDerWaalsContact O-N 3.1Å
534	T	30	Very low	34.7	Very low	94 Å²	94	129.6 Å²	129.6	58%	0.577	68%	0.679	S	S	*	*			trans	-66	108.3	164.8	53.9	0	0	0	0	108.6	V532 R536	V532-T534 HydrophobicContact CG1-CG2 4.46Å; V532-T534 PolarHBondContact O-N 3.43Å; T534-R536 PolarHBondContact O-N 3.39Å
535	R	27.9	Very low	34.1	Very low	249 Å²	249	129.3 Å²	129.3	94%	0.94	69%	0.687	S	S	*	*			trans	-51	129.3	170.6	-75.9	-176	171.7	-164.4	-2.2	109.6	F533	F533-R535 PolarHBondContact O-N 2.95Å; F533-R535 VanDerWaalsContact O-N 3.1Å
536	R	30.2	Very low	33.9	Very low	208 Å²	208	133.1 Å²	133.1	79%	0.785	72%	0.717	S	S	*	*			trans	-124.3	109.5	161.2	-84.8	-169.8	169.3	105.2	-1.9	110.3	T534	T534-R536 PolarHBondContact O-N 3.39Å
537	D	27.9	Very low	33.5	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	76%	0.757	S	S	*	*			trans	63.5	74.5	135.8	-43.2	-36.6	0	0	0	118.8
538	C	31	Very low	32.9	Very low	136 Å²	136	143.5 Å²	143.5	92%	0.919	78%	0.779	S	S	*	*			trans	-130.7	30.3	153.3	-92.5	0	0	0	0	113
539	L	30.7	Very low	32.6	Very low	179 Å²	179	143.7 Å²	143.7	94%	0.937	79%	0.794	S	S	*	*			trans	-87.7	101.2	162.6	-77.8	173.9	0	0	0	108.9
540	K	33.3	Very low	32.6	Very low	157 Å²	157	146 Å²	146	68%	0.683	81%	0.812	S	S	*	*			trans	-91.8	128.8	169.4	-129.4	175.5	-177.1	179.1	0	109.2	N255	N255-K540 WeakPolarHBondContact OD1-CE 3.37Å; N255-K540 PolarHBondContact OD1-NZ 3.06Å
541	A	31.8	Very low	32.8	Very low	84 Å²	84	146.5 Å²	146.5	69%	0.694	81%	0.814	S	S	*	*			trans	-80.1	147.2	-165.3	0	0	0	0	0	113.5
542	N	37.6	Very low	33.1	Very low	177 Å²	177	141.3 Å²	141.3	95%	0.947	81%	0.81	S	S	*	*			trans	-111.7	117.2	134.3	-92.7	-25.3	0	0	0	107
543	S	34.5	Very low	33.6	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	82%	0.819	S	S	*	*			trans	-103.6	133.6	-178.4	57.3	0	0	0	0	111.4
544	L	38.7	Very low	33.9	Very low	183 Å²	183	138.6 Å²	138.6	96%	0.958	81%	0.808	S	S	*	*			trans	-139.8	145.1	147.2	-95.1	174.8	0	0	0	108.4
545	A	33.8	Very low	34.1	Very low	101 Å²	101	141.6 Å²	141.6	84%	0.835	82%	0.821	S	S	*	*			trans	-117.5	140.5	-164.3	0	0	0	0	0	113.1
546	A	39.6	Very low	34.4	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	81%	0.812	S	S	*	*			trans	-144	157.4	159.5	0	0	0	0	0	108.7
547	R	36.9	Very low	34.8	Very low	246 Å²	246	133 Å²	133	93%	0.928	81%	0.814	S	S	*	*			trans	-125.6	125.8	-165.4	-65.7	164.4	67.4	-161.9	4.1	112.9
548	G	33.4	Very low	35.1	Very low	81 Å²	81	131.5 Å²	131.5	84%	0.835	81%	0.814	S	S	*	*			trans	79.9	160	142.5	0	0	0	0	0	119
549	G	33.9	Very low	35.7	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	80%	0.804	S	S	*	*			trans	79.7	104.6	174.4	0	0	0	0	0	113.5
550	S	35.8	Very low	36	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	80%	0.799	S	S	*	*			cis	87.9	115.3	46.9	76.6	0	0	0	0	114.1
551	D	36.2	Very low	36.1	Very low	167 Å²	167	127.6 Å²	127.6	89%	0.893	80%	0.801	S	S	*	*			trans	68.1	151.8	157.6	-43.1	-37.1	0	0	0	118
552	G	36.3	Very low	36.5	Very low	76 Å²	76	129.5 Å²	129.5	78%	0.784	81%	0.809	S	S	*	*			trans	146.6	38.1	173.5	0	0	0	0	0	120.7
553	L	38.2	Very low	36.6	Very low	161 Å²	161	129.3 Å²	129.3	84%	0.843	81%	0.807	S	S	*	*			trans	23.9	121	148.7	-62.8	170.2	0	0	0	121.9
554	S	35.1	Very low	36.9	Very low	95 Å²	95	129.9 Å²	129.9	66%	0.664	81%	0.811	S	S	*	*			trans	63.6	130.3	131.9	68.6	0	0	0	0	123.7
555	N	34.1	Very low	36.9	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	81%	0.805	S	S	*	*			trans	44.7	124	135.5	-54.3	-3.3	0	0	0	120.5
556	S	33.4	Very low	37.4	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	81%	0.809	S	S	*	*				160.4	164.2	86.6	-156.4	0	0	0	0	113.8
557	M	39	Very low	37.3	Very low	170 Å²	170	135 Å²	135	84%	0.837	81%	0.812	S	S	*	*			trans	65.1	115.1	159.1	-55.1	-136.3	68.7	0	0	121
558	S	33	Very low	37.3	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	80%	0.798	S	S	*	*			trans	-98.5	-167.2	147.8	-36.7	0	0	0	0	108.2
559	P	44.8	Very low	37.8	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	80%	0.795	S	S	*	*			cis	-135.7	-148.5	-7.3	28.8	-2.1	0	0	0	112.3
560	E	36.3	Very low	37.9	Very low	178 Å²	178	134.1 Å²	134.1	83%	0.832	81%	0.806	S	S	*	*			trans	75.7	156.4	162	-58.7	-169.9	148.8	0	0	119.4
561	S	35.5	Very low	38	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	81%	0.807	S	S	*	*			cis	-167.1	143.9	-39.1	62.8	0	0	0	0	110.3
562	S	39.8	Very low	38	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	80%	0.798	S	S	*	*			trans	-178	154.9	153.1	44.1	0	0	0	0	112.2
563	L	39.6	Very low	38.2	Very low	174 Å²	174	137 Å²	137	91%	0.911	80%	0.802	S	S	*	*			trans	-114	149.4	-173.7	-61.8	159.5	0	0	0	111.2
564	S	40.7	Very low	38.6	Very low	119 Å²	119	136.5 Å²	136.5	83%	0.832	80%	0.799	S	S	*	*			trans	-177.3	144.7	131	48.1	0	0	0	0	113.5
565	D	39.5	Very low	38.8	Very low	154 Å²	154	137.6 Å²	137.6	82%	0.824	80%	0.798	S	S	*	*			trans	-66.1	150.5	-168.7	-43	-72.2	0	0	0	116.3
566	K	44.7	Very low	39	Very low	210 Å²	210	141.3 Å²	141.3	91%	0.913	80%	0.8	S	S	*	*				-167	142.2	112	-105.5	161.2	-174	172.7	0	115.6
567	S	36.6	Very low	39.6	Very low	132 Å²	132	143.1 Å²	143.1	92%	0.923	80%	0.801	S	S	*	*			trans	-51.6	138.5	177.3	179.1	0	0	0	0	115
568	G	37.2	Very low	39.5	Very low	62 Å²	62	142.3 Å²	142.3	64%	0.639	79%	0.794	S	S	*	*			trans	-175.2	128.8	168.3	0	0	0	0	0	114.6
569	S	43.5	Very low	39.5	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.802	S	S	*	*			trans	49.8	96.3	163.6	57.6	0	0	0	0	119.5	A571	S569-A571 PolarHBondContact O-N 2.86Å
570	E	36	Very low	38.9	Very low	206 Å²	206	145.8 Å²	145.8	96%	0.963	80%	0.803	S	S	*	*			trans	-62.3	118.1	134.3	-64.9	172.7	108.5	0	0	108.3
571	A	38.4	Very low	38.7	Very low	86 Å²	86	144.7 Å²	144.7	71%	0.711	80%	0.803	S	S	*	*			trans	152.1	80.9	158	0	0	0	0	0	111.6	S569	S569-A571 PolarHBondContact O-N 2.86Å
572	N	37.2	Very low	38.7	Very low	130 Å²	130	142.7 Å²	142.7	70%	0.695	79%	0.789	S	S	*	*			trans	-155.4	1.8	165.5	-113	-37.3	0	0	0	116.6	L574	N572-L574 PolarHBondContact O-N 2.53Å
573	E	39.5	Very low	38.8	Very low	187 Å²	187	140.4 Å²	140.4	87%	0.874	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-76.2	-22.2	-176.2	-158.3	162.4	-147.6	0	0	113.6	N575	E573-N575 VanDerWaalsContact C-N 3.32Å; E573-N575 PolarHBondContact O-N 3.16Å
574	L	47.8	Very low	38.7	Very low	149 Å²	149	140.8 Å²	140.8	78%	0.78	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-72.6	-17.2	178.9	-70.8	172.5	0	0	0	114.6	N572	N572-L574 PolarHBondContact O-N 2.53Å
575	N	38	Very low	38.5	Very low	119 Å²	119	138.3 Å²	138.3	64%	0.636	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-90.5	1.1	-176.5	-88.9	-15.6	0	0	0	114.8	E573 L577	E573-N575 VanDerWaalsContact C-N 3.32Å; E573-N575 PolarHBondContact O-N 3.16Å; N575-L577 VanDerWaalsContact C-N 3.28Å; N575-L577 PolarHBondContact O-N 3.25Å
576	R	38	Very low	38.8	Very low	233 Å²	233	135.5 Å²	135.5	88%	0.879	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-80.7	-3.1	172.5	-101.8	-176.7	-177	-95.8	1.2	114.6
577	L	45.6	Very low	39	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-91.9	0.1	-178.6	-65.5	173.4	0	0	0	114.5	N575	N575-L577 VanDerWaalsContact C-N 3.28Å; N575-L577 PolarHBondContact O-N 3.25Å
578	H	37.9	Very low	40	Very low	153 Å²	153	130.1 Å²	130.1	71%	0.708	71%	0.712	S	S	*	*	S	Bend	trans	-122.4	59.3	-178.9	-71.4	147.1	0	0	0	112.9
579	M	32.4	Very low	41.9	Very low	183 Å²	183	130.8 Å²	130.8	90%	0.901	70%	0.701	S	S	*	*			trans	-151.2	68.8	167.4	-93.3	-58.7	102.1	0	0	112.8
580	S	32	Very low	44.2	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	69%	0.685	S	S	*	*			trans	-163.5	80.2	156.3	60.2	0	0	0	0	110.5	S582	S580-S582 PolarHBondContact O-N 2.85Å
581	D	33.2	Very low	46.9	Very low	155 Å²	155	122.5 Å²	122.5	83%	0.829	65%	0.65	S	S	*	*			trans	-68.6	102.4	165	-119.8	-46.1	0	0	0	108	S583	D581-S583 PolarHBondContact OD1-OG 3.44Å
582	S	35.9	Very low	49.6	Very low	60 Å²	60	122.6 Å²	122.6	42%	0.42	64%	0.642	S	S	.	*			trans	-144	34.9	-178.1	-57.3	0	0	0	0	109.5	S580 E584 S585	S580-S582 PolarHBondContact O-N 2.85Å; S582-E584 VanDerWaalsContact C-N 3.33Å; S582-E584 PolarHBondContact O-N 3.27Å; S582-S585 PolarHBondContact O-N 3.3Å; S582-S585 PolarHBondContact O-OG 2.71Å
583	S	41.1	Very low	52.4	Low	76 Å²	76	116.8 Å²	116.8	53%	0.531	61%	0.611	S	S	.	*	H	α-helix	trans	-63.3	-33.7	-172.4	34.2	0	0	0	0	112.6	D581 N586	D581-S583 PolarHBondContact OD1-OG 3.44Å; S583-N586 PolarHBondContact O-N 2.99Å
584	E	38	Very low	55.1	Low	183 Å²	183	115.7 Å²	115.7	86%	0.855	60%	0.599	S	S	*	*	H	α-helix	trans	-66.9	-34.2	174.6	-68.2	-167.4	121.6	0	0	113.8	S582 N586	S582-E584 VanDerWaalsContact C-N 3.33Å; S582-E584 PolarHBondContact O-N 3.27Å; E584-N586 VanDerWaalsContact C-N 3.3Å; E584-N586 PolarHBondContact O-N 3.45Å
585	S	36.8	Very low	57.5	Low	66 Å²	66	108.7 Å²	108.7	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-73.5	-20.5	178.4	44.8	0	0	0	0	113.7	S582 N589	S582-S585 PolarHBondContact O-N 3.3Å; S582-S585 PolarHBondContact O-OG 2.71Å; S585-N589 PolarHBondContact O-ND2 2.98Å
586	N	45.4	Very low	60.4	Low	96 Å²	96	105.7 Å²	105.7	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-80.3	-18.5	-172.7	-73	-20.8	0	0	0	114.2	S583 E584	S583-N586 PolarHBondContact O-N 2.99Å; E584-N586 VanDerWaalsContact C-N 3.3Å; E584-N586 PolarHBondContact O-N 3.45Å
587	Q	48.7	Very low	63.1	Low	164 Å²	164	96.4 Å²	96.4	77%	0.766	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-76.2	-26.3	175	-71.1	-168.7	-4	0	0	113.1	N589	Q587-N589 PolarHBondContact O-N 2.92Å
588	A	57.2	Low	65.4	Low	65 Å²	65	93.3 Å²	93.3	54%	0.537	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-69.8	-10.4	-179.4	0	0	0	0	0	114.2
589	N	78.4	Confident	68	Low	76 Å²	76	89.8 Å²	89.8	41%	0.406	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-102.3	12.7	-167.3	-62.1	-21.4	0	0	0	114.2	S585 Q587 E608 H609	S585-N589 PolarHBondContact O-ND2 2.98Å; Q587-N589 PolarHBondContact O-N 2.92Å; N589-E608 CarbonylContact O-C 3.47Å; N589-E608 WeakPolarHBondContact O-CA 3.36Å; N589-H609 PolarHBondContact O-N 3.08Å
590	K	90.1	Very high	70.8	Confident	97 Å²	97	92.1 Å²	92.1	42%	0.422	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.3	-175.7	-47.7	-160.1	-172.2	-153	0	112.9	L606 I607 E608	K590-L606 HydrophobicContact CB-CD1 3.89Å; K590-L606 HydrophobicContact CB-CG 4.38Å; K590-L606 HydrophobicContact CD-CD2 4.04Å; K590-L606 HydrophobicContact CD-CG 4.4Å; K590-I607 CarbonylContact C-O 3.48Å; K590-I607 WeakPolarHBondContact CA-O 3.16Å; K590-E608 HydrophobicContact CD-CG 4.27Å; K590-E608 WeakPolarHBondContact CE-OE1 3.45Å; K590-E608 HydrophobicContact CG-CG 4.3Å; K590-E608 IonicContact NZ-OE1 3.39Å; K590-E608 PolarHBondContact NZ-OE1 3.35Å
591	L	93.4	Very high	73.8	Confident	45 Å²	45	90.4 Å²	90.4	24%	0.236	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.7	-176.7	179.8	64.5	0	0	0	109.9	V593 I607 I657 L658	L591-V593 HydrophobicContact CD2-CG2 3.87Å; L591-V593 HydrophobicContact CG-CG2 3.94Å; L591-I607 HydrophobicContact CB-CG1 4.13Å; L591-I607 PolarHBondContact N-O 2.81Å; L591-I607 PolarHBondContact O-N 3.47Å; L591-I657 HydrophobicContact CD2-CB 4.18Å; L591-I657 HydrophobicContact CD2-CD1 4.49Å; L591-I657 HydrophobicContact CD2-CG2 4.01Å; L591-L658 HydrophobicContact CD2-CD2 4.4Å; L591-L658 HydrophobicContact CD2-CG 4.47Å
592	V	95.2	Very high	76.8	Confident	88 Å²	88	86 Å²	86	53%	0.533	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.3	170.1	-179.3	0	0	0	0	108.9	A604 I605 L606	V592-A604 HydrophobicContact CG1-CB 4.07Å; V592-I605 CarbonylContact C-O 3.43Å; V592-I605 WeakPolarHBondContact CA-O 3.09Å; V592-L606 HydrophobicContact CG2-CD1 3.82Å
593	V	95.6	Very high	79.7	Confident	7 Å²	7	87 Å²	87	4%	0.042	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.1	179.6	178.1	0	0	0	0	109.7	L591 V595 A604 I605 I607 I657 I668	L591-V593 HydrophobicContact CD2-CG2 3.87Å; L591-V593 HydrophobicContact CG-CG2 3.94Å; V593-V595 HydrophobicContact CG1-CG2 3.97Å; V593-A604 WeakPolarHBondContact O-CA 3.42Å; V593-I605 HydrophobicContact CB-CG1 4.24Å; V593-I605 PolarHBondContact N-O 3.12Å; V593-I605 WeakPolarHBondContact O-CG1 3.08Å; V593-I605 PolarHBondContact O-N 3.05Å; V593-I607 HydrophobicContact CG2-CD1 3.63Å; V593-I607 HydrophobicContact CG2-CG1 3.86Å; V593-I657 HydrophobicContact CB-CD1 4.21Å; V593-I657 HydrophobicContact CG1-CD1 3.61Å; V593-I657 HydrophobicContact CG2-CD1 3.47Å; V593-I657 VanDerWaalsContact CG2-CD1 3.47Å; V593-I668 HydrophobicContact CG1-CG1 4.34Å
594	R	97	Very high	82.4	Confident	165 Å²	165	86.7 Å²	86.7	62%	0.623	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.3	171	-175.6	177.3	-66.8	179.8	-0.8	109.1	F596 T602	R594-F596 HydrophobicContact CG-CE2 4.16Å; R594-F596 HydrophobicContact CG-CZ 4.13Å; R594-T602 WeakPolarHBondContact CG-OG1 3.28Å
595	V	98.1	Very high	85.1	Confident	1 Å²	1	78 Å²	78	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.8	177.6	-172.7	0	0	0	0	109.3	V593 T602 K603 I605 M620 L634 I668 F670	V593-V595 HydrophobicContact CG1-CG2 3.97Å; V595-T602 CarbonylContact O-C 3.57Å; V595-T602 WeakPolarHBondContact O-CA 3.34Å; V595-T602 WeakPolarHBondContact O-CB 3.34Å; V595-T602 PolarHBondContact O-OG1 2.8Å; V595-K603 PolarHBondContact N-O 3.23Å; V595-K603 PolarHBondContact O-N 2.91Å; V595-I605 HydrophobicContact CG2-CD1 3.72Å; V595-I605 HydrophobicContact CG2-CG1 4.03Å; V595-M620 HydrophobicContact CB-CE 3.92Å; V595-M620 HydrophobicContact CB-SD 4.15Å; V595-M620 HydrophobicContact CG1-CE 3.64Å; V595-M620 HydrophobicContact CG1-SD 4.27Å; V595-M620 HydrophobicContact CG2-SD 4.47Å; V595-L634 HydrophobicContact CG1-CD2 4.14Å; V595-I668 CarbonylContact C-O 3.48Å; V595-I668 WeakPolarHBondContact CA-O 3.13Å; V595-I668 HydrophobicContact CG1-CG2 4.28Å; V595-I668 HydrophobicContact CG2-CG2 4.32Å; V595-F670 HydrophobicContact CG1-CB 3.71Å
596	F	97.6	Very high	88	Confident	57 Å²	57	78.3 Å²	78.3	25%	0.25	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	160.6	179.7	-62.5	-92.1	0	0	0	110.9	R594 M667 I668 F669 F670	R594-F596 HydrophobicContact CG-CE2 4.16Å; R594-F596 HydrophobicContact CG-CZ 4.13Å; F596-M667 HydrophobicContact CD2-CB 3.97Å; F596-M667 HydrophobicContact CD2-CG 4.21Å; F596-M667 HydrophobicContact CE2-CB 4.01Å; F596-M667 HydrophobicContact CE2-CG 3.83Å; F596-M667 HydrophobicContact CE2-SD 4.34Å; F596-M667 HydrophobicContact CZ-CG 4.37Å; F596-M667 HydrophobicContact CZ-SD 4.46Å; F596-I668 PolarHBondContact N-O 3.25Å; F596-F669 HydrophobicContact CB-CD1 3.85Å; F596-F669 HydrophobicContact CB-CD2 4.23Å; F596-F669 HydrophobicContact CB-CE1 3.74Å; F596-F669 HydrophobicContact CB-CE2 4.14Å; F596-F669 HydrophobicContact CB-CG 4.09Å; F596-F669 HydrophobicContact CB-CZ 3.89Å; F596-F669 HydrophobicContact CG-CE2 4.5Å; F596-F669 HydrophobicContact CG-CZ 4.4Å; F596-F669 CarbonylContact O-C 3.58Å; F596-F669 WeakPolarHBondContact O-CA 3.47Å; F596-F670 PolarHBondContact O-N 2.84Å
597	R	95.9	Very high	90.4	Very high	37 Å²	37	73.8 Å²	73.8	14%	0.14	38%	0.376	C	S	.	.			trans	-129.4	159.6	174.7	-79.9	-176.9	50	69.9	0.7	112	D599 R600 T601 N624	R597-D599 WeakPolarHBondContact CB-OD1 3.43Å; R597-D599 IonicContact CZ-OD2 3.44Å; R597-D599 IonicContact NE-OD1 3.33Å; R597-D599 IonicContact NE-OD2 2.8Å; R597-D599 PolarHBondContact NE-OD2 3.22Å; R597-D599 IonicContact NH2-OD2 2.71Å; R597-D599 PolarHBondContact NH2-OD2 2.96Å; R597-D599 PolarHBondContact O-N 3.41Å; R597-R600 PolarHBondContact O-N 3.44Å; R597-T601 PolarHBondContact N-O 3.12Å; R597-N624 VanDerWaalsContact CD-OD1 3.28Å; R597-N624 WeakPolarHBondContact CD-OD1 3.48Å
598	P	93.6	Very high	92.5	Very high	83 Å²	83	70.6 Å²	70.6	54%	0.539	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	176.5	-26.9	36	0	0	0	114.3	R600 F670 E671	P598-R600 PolarHBondContact O-N 3.03Å; P598-R600 VanDerWaalsContact O-N 3.09Å; P598-F670 WeakPolarHBondContact CD-O 3.34Å; P598-E671 HydrophobicContact CG-CB 3.65Å
599	D	92.6	Very high	94.2	Very high	78 Å²	78	71 Å²	71	42%	0.417	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	11.4	174.1	55.9	32.1	0	0	0	114	R597 T601	R597-D599 WeakPolarHBondContact CB-OD1 3.43Å; R597-D599 IonicContact CZ-OD2 3.44Å; R597-D599 IonicContact NE-OD1 3.33Å; R597-D599 IonicContact NE-OD2 2.8Å; R597-D599 PolarHBondContact NE-OD2 3.22Å; R597-D599 IonicContact NH2-OD2 2.71Å; R597-D599 PolarHBondContact NH2-OD2 2.96Å; R597-D599 PolarHBondContact O-N 3.41Å; D599-T601 PolarHBondContact O-N 3.07Å; D599-T601 VanDerWaalsContact O-N 3.1Å; D599-T601 VanDerWaalsContact OD1-CB 3.26Å; D599-T601 WeakPolarHBondContact OD1-CB 3.49Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.39Å; D599-T601 PolarHBondContact OD1-N 3.12Å; D599-T601 PolarHBondContact OD1-OG1 3.46Å
600	R	91.3	Very high	94.9	Very high	233 Å²	233	73.5 Å²	73.5	88%	0.879	36%	0.362	S	S	*	.	S	Bend	trans	64.5	1.1	-177.2	-51.2	176	-176.2	-102.7	1.5	114.7	R597 P598	R597-R600 PolarHBondContact O-N 3.44Å; P598-R600 PolarHBondContact O-N 3.03Å; P598-R600 VanDerWaalsContact O-N 3.09Å
601	T	94.9	Very high	95.2	Very high	66 Å²	66	70.4 Å²	70.4	41%	0.405	35%	0.349	S	S	.	.			trans	-72.6	164	171.3	72.3	0	0	0	0	111.1	R597 D599	R597-T601 PolarHBondContact N-O 3.12Å; D599-T601 PolarHBondContact O-N 3.07Å; D599-T601 VanDerWaalsContact O-N 3.1Å; D599-T601 VanDerWaalsContact OD1-CB 3.26Å; D599-T601 WeakPolarHBondContact OD1-CB 3.49Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.39Å; D599-T601 PolarHBondContact OD1-N 3.12Å; D599-T601 PolarHBondContact OD1-OG1 3.46Å
602	T	96.5	Very high	95.4	Very high	63 Å²	63	70.1 Å²	70.1	39%	0.387	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.6	173.3	-178.2	0	0	0	0	110.6	R594 V595	R594-T602 WeakPolarHBondContact CG-OG1 3.28Å; V595-T602 CarbonylContact O-C 3.57Å; V595-T602 WeakPolarHBondContact O-CA 3.34Å; V595-T602 WeakPolarHBondContact O-CB 3.34Å; V595-T602 PolarHBondContact O-OG1 2.8Å
603	K	96.3	Very high	95.6	Very high	80 Å²	80	66 Å²	66	35%	0.348	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.9	170.3	-67.7	-176.1	-172.1	-100	0	109.5	V595 K623 N624	V595-K603 PolarHBondContact N-O 3.23Å; V595-K603 PolarHBondContact O-N 2.91Å; K603-K623 HydrophobicContact CD-CB 4.21Å; K603-K623 WeakPolarHBondContact CE-O 3.5Å; K603-K623 PolarHBondContact NZ-O 2.96Å; K603-N624 VanDerWaalsContact CE-CG 3.43Å; K603-N624 WeakPolarHBondContact CE-OD1 3.36Å
604	A	97	Very high	95.7	Very high	71 Å²	71	66 Å²	66	59%	0.587	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.5	163.2	0	0	0	0	0	108.6	V592 V593	V592-A604 HydrophobicContact CG1-CB 4.07Å; V593-A604 WeakPolarHBondContact O-CA 3.42Å
605	I	96.1	Very high	95.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.6	176.7	56	171.9	0	0	0	109.5	V592 V593 V595 I607 V616 M620 K623	V592-I605 CarbonylContact C-O 3.43Å; V592-I605 WeakPolarHBondContact CA-O 3.09Å; V593-I605 HydrophobicContact CB-CG1 4.24Å; V593-I605 PolarHBondContact N-O 3.12Å; V593-I605 WeakPolarHBondContact O-CG1 3.08Å; V593-I605 PolarHBondContact O-N 3.05Å; V595-I605 HydrophobicContact CG2-CD1 3.72Å; V595-I605 HydrophobicContact CG2-CG1 4.03Å; I605-I607 HydrophobicContact CD1-CG2 3.96Å; I605-I607 HydrophobicContact CG1-CG2 4.13Å; I605-V616 HydrophobicContact CD1-CG1 3.48Å; I605-V616 VanDerWaalsContact CD1-CG1 3.48Å; I605-M620 HydrophobicContact CD1-CG 4.47Å; I605-M620 HydrophobicContact CD1-SD 4.44Å; I605-M620 HydrophobicContact CG2-SD 4.16Å; I605-K623 HydrophobicContact CG2-CD 4.08Å
606	L	96.4	Very high	95.7	Very high	71 Å²	71	62.6 Å²	62.6	37%	0.372	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.6	166.6	-171.6	69	0	0	0	107.8	K590 V592	K590-L606 HydrophobicContact CB-CD1 3.89Å; K590-L606 HydrophobicContact CB-CG 4.38Å; K590-L606 HydrophobicContact CD-CD2 4.04Å; K590-L606 HydrophobicContact CD-CG 4.4Å; V592-L606 HydrophobicContact CG2-CD1 3.82Å
607	I	96.1	Very high	95.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.4	171.3	71.1	167.6	0	0	0	109.7	K590 L591 V593 I605 M611 V616 V653	K590-I607 CarbonylContact C-O 3.48Å; K590-I607 WeakPolarHBondContact CA-O 3.16Å; L591-I607 HydrophobicContact CB-CG1 4.13Å; L591-I607 PolarHBondContact N-O 2.81Å; L591-I607 PolarHBondContact O-N 3.47Å; V593-I607 HydrophobicContact CG2-CD1 3.63Å; V593-I607 HydrophobicContact CG2-CG1 3.86Å; I605-I607 HydrophobicContact CD1-CG2 3.96Å; I605-I607 HydrophobicContact CG1-CG2 4.13Å; I607-M611 HydrophobicContact CB-CB 4.37Å; I607-M611 HydrophobicContact CB-CG 4.49Å; I607-M611 HydrophobicContact CB-SD 3.84Å; I607-M611 HydrophobicContact CG2-SD 4.33Å; I607-V616 HydrophobicContact CG2-CG2 3.77Å; I607-V653 HydrophobicContact CD1-CB 3.93Å; I607-V653 HydrophobicContact CD1-CG1 3.83Å
608	E	94	Very high	95.8	Very high	98 Å²	98	59.9 Å²	59.9	46%	0.458	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	157.9	172.6	-48.8	-162.6	158.6	0	0	110.3	N589 K590 Q610 M611	N589-E608 CarbonylContact O-C 3.47Å; N589-E608 WeakPolarHBondContact O-CA 3.36Å; K590-E608 HydrophobicContact CD-CG 4.27Å; K590-E608 WeakPolarHBondContact CE-OE1 3.45Å; K590-E608 HydrophobicContact CG-CG 4.3Å; K590-E608 IonicContact NZ-OE1 3.39Å; K590-E608 PolarHBondContact NZ-OE1 3.35Å; E608-Q610 VanDerWaalsContact C-N 3.25Å; E608-Q610 PolarHBondContact O-N 3.42Å; E608-Q610 VanDerWaalsContact O-N 3.15Å; E608-M611 HydrophobicContact CB-CG 4.03Å; E608-M611 HydrophobicContact CB-SD 4.37Å; E608-M611 HydrophobicContact CG-SD 4.38Å; E608-M611 PolarHBondContact N-SD 2.78Å; E608-M611 WeakPolarHBondContact O-CB 3.48Å; E608-M611 WeakPolarHBondContact O-CG 3.31Å; E608-M611 PolarHBondContact O-N 3.2Å
609	H	91.2	Very high	95.9	Very high	73 Å²	73	57.9 Å²	57.9	34%	0.338	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-42.1	-172	-175.8	26.4	0	0	0	112.8	N589 M611 I652 S654 D655	N589-H609 PolarHBondContact O-N 3.08Å; H609-M611 PolarHBondContact O-N 3.19Å; H609-I652 WeakPolarHBondContact O-CG2 3.29Å; H609-S654 PolarHBondContact ND1-OG 2.79Å; H609-S654 WeakPolarHBondContact O-CB 3.33Å; H609-S654 PolarHBondContact O-OG 2.84Å; H609-D655 IonicContact CE1-OD1 3.18Å
610	Q	93.6	Very high	96.2	Very high	129 Å²	129	54.2 Å²	54.2	60%	0.603	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	6	-178	-59.4	-51.9	111.8	0	0	115.3	E608 T612	E608-Q610 VanDerWaalsContact C-N 3.25Å; E608-Q610 PolarHBondContact O-N 3.42Å; E608-Q610 VanDerWaalsContact O-N 3.15Å; Q610-T612 PolarHBondContact O-N 3.03Å
611	M	96.8	Very high	96.5	Very high	32 Å²	32	43.1 Å²	43.1	16%	0.158	23%	0.232	C	C	.	.			trans	-70	126.8	-176.8	-68	-166	76.1	0	0	112.6	I607 E608 H609 E615 V616 M619 V653	I607-M611 HydrophobicContact CB-CB 4.37Å; I607-M611 HydrophobicContact CB-CG 4.49Å; I607-M611 HydrophobicContact CB-SD 3.84Å; I607-M611 HydrophobicContact CG2-SD 4.33Å; E608-M611 HydrophobicContact CB-CG 4.03Å; E608-M611 HydrophobicContact CB-SD 4.37Å; E608-M611 HydrophobicContact CG-SD 4.38Å; E608-M611 PolarHBondContact N-SD 2.78Å; E608-M611 WeakPolarHBondContact O-CB 3.48Å; E608-M611 WeakPolarHBondContact O-CG 3.31Å; E608-M611 PolarHBondContact O-N 3.2Å; H609-M611 PolarHBondContact O-N 3.19Å; M611-E615 HydrophobicContact CE-CB 3.78Å; M611-V616 HydrophobicContact CB-CG2 4.12Å; M611-V616 HydrophobicContact CE-CG2 4.37Å; M611-M619 HydrophobicContact CE-SD 3.61Å; M611-M619 HydrophobicContact SD-SD 4.38Å; M611-V653 PolarHBondContact O-N 3.06Å; M611-V653 VanDerWaalsContact O-N 3.08Å
612	T	98	Very high	96.5	Very high	38 Å²	38	44.3 Å²	44.3	23%	0.233	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-76.1	159.6	176.2	63.4	0	0	0	0	112.1	Q610 G614 E615 V616 E649 D651 I652	Q610-T612 PolarHBondContact O-N 3.03Å; T612-G614 VanDerWaalsContact C-N 3.25Å; T612-G614 PolarHBondContact O-N 2.76Å; T612-E615 WeakPolarHBondContact CB-OE2 3.37Å; T612-E615 WeakPolarHBondContact CG2-OE2 3.26Å; T612-E615 PolarHBondContact N-OE2 3.29Å; T612-E615 PolarHBondContact O-N 3.02Å; T612-E615 VanDerWaalsContact OG1-CG 3.29Å; T612-E615 WeakPolarHBondContact OG1-CG 3.43Å; T612-E615 PolarHBondContact OG1-N 3.42Å; T612-E615 PolarHBondContact OG1-OE2 3.48Å; T612-V616 WeakPolarHBondContact O-CG2 3.49Å; T612-V616 PolarHBondContact O-N 3.26Å; T612-V616 VanDerWaalsContact O-N 3.1Å; T612-E649 WeakPolarHBondContact CB-O 3.39Å; T612-D651 CarbonylContact C-O 3.48Å; T612-D651 WeakPolarHBondContact CA-O 3.34Å; T612-I652 HydrophobicContact CG2-CD1 4.13Å
613	A	98.3	Very high	96.4	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-34.8	174.2	0	0	0	0	0	112.4	V616 A617 L634 F647 E648 E649 D651 V653	A613-V616 PolarHBondContact O-N 2.7Å; A613-A617 VanDerWaalsContact O-CB 3.24Å; A613-A617 WeakPolarHBondContact O-CB 3.47Å; A613-A617 PolarHBondContact O-N 3.49Å; A613-L634 HydrophobicContact CB-CD1 4.06Å; A613-F647 HydrophobicContact CB-CB 3.69Å; A613-F647 HydrophobicContact CB-CD1 4.32Å; A613-F647 HydrophobicContact CB-CG 4.37Å; A613-E648 WeakPolarHBondContact CB-O 3.32Å; A613-E649 PolarHBondContact N-O 3.35Å; A613-D651 HydrophobicContact CB-CB 4.43Å; A613-D651 PolarHBondContact N-O 3.25Å; A613-V653 HydrophobicContact CB-CG2 4.22Å
614	G	97.9	Very high	96.3	Very high	7 Å²	7	43 Å²	43	7%	0.072	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-40.9	176.2	0	0	0	0	0	114.1	T612 A617 T618 E649 R841	T612-G614 VanDerWaalsContact C-N 3.25Å; T612-G614 PolarHBondContact O-N 2.76Å; G614-A617 PolarHBondContact O-N 2.58Å; G614-T618 PolarHBondContact O-N 2.78Å; G614-T618 PolarHBondContact O-OG1 3.17Å; G614-E649 VanDerWaalsContact CA-OE2 3.26Å; G614-E649 WeakPolarHBondContact CA-OE2 3.39Å; G614-E649 PolarHBondContact N-O 3.32Å; G614-R841 WeakPolarHBondContact O-CD 3.39Å
615	E	97.8	Very high	96.1	Very high	92 Å²	92	48 Å²	48	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-44.9	173.5	-70.7	163.4	115.8	0	0	111.1	M611 T612 A617 T618 M619	M611-E615 HydrophobicContact CE-CB 3.78Å; T612-E615 WeakPolarHBondContact CB-OE2 3.37Å; T612-E615 WeakPolarHBondContact CG2-OE2 3.26Å; T612-E615 PolarHBondContact N-OE2 3.29Å; T612-E615 PolarHBondContact O-N 3.02Å; T612-E615 VanDerWaalsContact OG1-CG 3.29Å; T612-E615 WeakPolarHBondContact OG1-CG 3.43Å; T612-E615 PolarHBondContact OG1-N 3.42Å; T612-E615 PolarHBondContact OG1-OE2 3.48Å; E615-A617 VanDerWaalsContact C-N 3.34Å; E615-A617 PolarHBondContact O-N 2.94Å; E615-T618 WeakPolarHBondContact O-CA 3.26Å; E615-T618 VanDerWaalsContact O-CB 3.25Å; E615-T618 WeakPolarHBondContact O-CB 3.1Å; E615-T618 PolarHBondContact O-N 2.95Å; E615-T618 VanDerWaalsContact O-N 3.12Å; E615-M619 WeakPolarHBondContact O-CG 3.48Å; E615-M619 PolarHBondContact O-N 3.1Å
616	V	97.9	Very high	96.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-35.6	177.9	175.4	0	0	0	0	111.8	I605 I607 M611 T612 A613 T618 M619 M620 L634 V653	I605-V616 HydrophobicContact CD1-CG1 3.48Å; I605-V616 VanDerWaalsContact CD1-CG1 3.48Å; I607-V616 HydrophobicContact CG2-CG2 3.77Å; M611-V616 HydrophobicContact CB-CG2 4.12Å; M611-V616 HydrophobicContact CE-CG2 4.37Å; T612-V616 WeakPolarHBondContact O-CG2 3.49Å; T612-V616 PolarHBondContact O-N 3.26Å; T612-V616 VanDerWaalsContact O-N 3.1Å; A613-V616 PolarHBondContact O-N 2.7Å; V616-T618 VanDerWaalsContact C-N 3.34Å; V616-M619 PolarHBondContact O-N 3.29Å; V616-M620 WeakPolarHBondContact O-CG 3.1Å; V616-M620 PolarHBondContact O-N 3.09Å; V616-L634 HydrophobicContact CB-CD1 3.91Å; V616-L634 HydrophobicContact CG1-CD1 3.68Å; V616-L634 HydrophobicContact CG1-CD2 4.21Å; V616-V653 HydrophobicContact CB-CG2 4.32Å; V616-V653 HydrophobicContact CG2-CG2 4.04Å
617	A	98.1	Very high	96	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-39.2	170.7	0	0	0	0	0	111.8	A613 G614 E615 M620 I621 F670	A613-A617 VanDerWaalsContact O-CB 3.24Å; A613-A617 WeakPolarHBondContact O-CB 3.47Å; A613-A617 PolarHBondContact O-N 3.49Å; G614-A617 PolarHBondContact O-N 2.58Å; E615-A617 VanDerWaalsContact C-N 3.34Å; E615-A617 PolarHBondContact O-N 2.94Å; A617-M620 PolarHBondContact O-N 3.11Å; A617-I621 VanDerWaalsContact O-CG1 3.3Å; A617-I621 WeakPolarHBondContact O-CG1 3.48Å; A617-I621 PolarHBondContact O-N 2.9Å; A617-F670 HydrophobicContact CB-CE2 3.72Å; A617-F670 HydrophobicContact CB-CZ 4.23Å
618	T	97.5	Very high	96	Very high	37 Å²	37	53 Å²	53	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-53.1	173.8	-53.8	0	0	0	0	110.5	G614 E615 V616 M620 I621 E622 R841 L845	G614-T618 PolarHBondContact O-N 2.78Å; G614-T618 PolarHBondContact O-OG1 3.17Å; E615-T618 WeakPolarHBondContact O-CA 3.26Å; E615-T618 VanDerWaalsContact O-CB 3.25Å; E615-T618 WeakPolarHBondContact O-CB 3.1Å; E615-T618 PolarHBondContact O-N 2.95Å; E615-T618 VanDerWaalsContact O-N 3.12Å; V616-T618 VanDerWaalsContact C-N 3.34Å; T618-M620 PolarHBondContact O-N 3.14Å; T618-I621 PolarHBondContact O-N 2.95Å; T618-I621 VanDerWaalsContact O-N 3.12Å; T618-E622 WeakPolarHBondContact O-CG 3.25Å; T618-E622 PolarHBondContact O-N 3.22Å; T618-R841 WeakPolarHBondContact OG1-CD 3.25Å; T618-R841 WeakPolarHBondContact OG1-CG 3.43Å; T618-L845 HydrophobicContact CG2-CD1 4.23Å; T618-L845 HydrophobicContact CG2-CD2 4.03Å; T618-L845 HydrophobicContact CG2-CG 4.37Å
619	M	96.7	Very high	96.2	Very high	41 Å²	41	49.5 Å²	49.5	20%	0.202	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-38	176.6	-61.4	176.4	84.5	0	0	112.5	M611 E615 V616 K623	M611-M619 HydrophobicContact CE-SD 3.61Å; M611-M619 HydrophobicContact SD-SD 4.38Å; E615-M619 WeakPolarHBondContact O-CG 3.48Å; E615-M619 PolarHBondContact O-N 3.1Å; V616-M619 PolarHBondContact O-N 3.29Å; M619-K623 VanDerWaalsContact O-CB 3.26Å; M619-K623 WeakPolarHBondContact O-CB 3.35Å; M619-K623 VanDerWaalsContact O-CG 3.26Å; M619-K623 WeakPolarHBondContact O-CG 3.3Å; M619-K623 PolarHBondContact O-N 3.35Å
620	M	97.8	Very high	96.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-73.3	-35.8	179	-75.2	-64.8	-68.8	0	0	112.7	V595 I605 V616 A617 T618 E622 N624 F670	V595-M620 HydrophobicContact CB-CE 3.92Å; V595-M620 HydrophobicContact CB-SD 4.15Å; V595-M620 HydrophobicContact CG1-CE 3.64Å; V595-M620 HydrophobicContact CG1-SD 4.27Å; V595-M620 HydrophobicContact CG2-SD 4.47Å; I605-M620 HydrophobicContact CD1-CG 4.47Å; I605-M620 HydrophobicContact CD1-SD 4.44Å; I605-M620 HydrophobicContact CG2-SD 4.16Å; V616-M620 WeakPolarHBondContact O-CG 3.1Å; V616-M620 PolarHBondContact O-N 3.09Å; A617-M620 PolarHBondContact O-N 3.11Å; T618-M620 PolarHBondContact O-N 3.14Å; M620-E622 VanDerWaalsContact C-N 3.33Å; M620-N624 WeakPolarHBondContact CE-ND2 3.46Å; M620-N624 WeakPolarHBondContact O-CB 3.24Å; M620-N624 PolarHBondContact O-N 2.79Å; M620-N624 PolarHBondContact O-ND2 3.09Å; M620-F670 HydrophobicContact CB-CD1 3.62Å; M620-F670 HydrophobicContact CB-CD2 4.17Å; M620-F670 HydrophobicContact CB-CE1 3.6Å; M620-F670 HydrophobicContact CB-CE2 4.17Å; M620-F670 HydrophobicContact CB-CG 3.91Å; M620-F670 HydrophobicContact CB-CZ 3.89Å; M620-F670 HydrophobicContact CE-CB 3.86Å; M620-F670 HydrophobicContact CE-CD1 4.13Å; M620-F670 HydrophobicContact CE-CG 4.18Å; M620-F670 HydrophobicContact CG-CD1 4.4Å; M620-F670 HydrophobicContact CG-CG 4.28Å
621	I	97.2	Very high	96.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-40.2	173.9	-67.5	162.8	0	0	0	110.7	A617 T618 F625 L626 P628 L632 F670 L845 R849	A617-I621 VanDerWaalsContact O-CG1 3.3Å; A617-I621 WeakPolarHBondContact O-CG1 3.48Å; A617-I621 PolarHBondContact O-N 2.9Å; T618-I621 PolarHBondContact O-N 2.95Å; T618-I621 VanDerWaalsContact O-N 3.12Å; I621-F625 CarbonylContact O-C 3.6Å; I621-F625 PolarHBondContact O-N 3.27Å; I621-F625 VanDerWaalsContact O-N 3.16Å; I621-L626 HydrophobicContact CG2-CB 4.47Å; I621-L626 WeakPolarHBondContact CG2-O 3.27Å; I621-L626 PolarHBondContact O-N 3.47Å; I621-L626 VanDerWaalsContact O-N 3.1Å; I621-P628 HydrophobicContact CG2-CB 4.31Å; I621-P628 HydrophobicContact CG2-CG 4.04Å; I621-L632 HydrophobicContact CD1-CB 4.49Å; I621-L632 HydrophobicContact CD1-CD1 4.43Å; I621-L632 HydrophobicContact CG1-CD1 4.06Å; I621-F670 HydrophobicContact CD1-CZ 4.39Å; I621-F670 HydrophobicContact CG1-CE1 4.09Å; I621-F670 HydrophobicContact CG1-CZ 3.8Å; I621-L845 HydrophobicContact CB-CD1 4.09Å; I621-L845 HydrophobicContact CD1-CD1 3.96Å; I621-L845 HydrophobicContact CG2-CD1 3.84Å; I621-R849 PolarHBondContact O-NH2 3.08Å
622	E	94.9	Very high	96.7	Very high	90 Å²	90	41.9 Å²	41.9	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-69.1	-55.4	177.4	-66.3	177.9	142.2	0	0	111.9	T618 M620 N624 F625 L845	T618-E622 WeakPolarHBondContact O-CG 3.25Å; T618-E622 PolarHBondContact O-N 3.22Å; M620-E622 VanDerWaalsContact C-N 3.33Å; E622-N624 PolarHBondContact O-N 3.35Å; E622-F625 PolarHBondContact O-N 2.91Å; E622-L845 HydrophobicContact CG-CD2 3.57Å; E622-L845 WeakPolarHBondContact OE1-CD2 3.42Å
623	K	94.7	Very high	96.7	Very high	88 Å²	88	40.1 Å²	40.1	38%	0.383	20%	0.196	S	C	.	.	H	α-helix	trans	-67.3	-8.6	-176.2	-70.3	178.5	177.1	-175.7	0	115.2	K603 I605 M619	K603-K623 HydrophobicContact CD-CB 4.21Å; K603-K623 WeakPolarHBondContact CE-O 3.5Å; K603-K623 PolarHBondContact NZ-O 2.96Å; I605-K623 HydrophobicContact CG2-CD 4.08Å; M619-K623 VanDerWaalsContact O-CB 3.26Å; M619-K623 WeakPolarHBondContact O-CB 3.35Å; M619-K623 VanDerWaalsContact O-CG 3.26Å; M619-K623 WeakPolarHBondContact O-CG 3.3Å; M619-K623 PolarHBondContact O-N 3.35Å
624	N	94.5	Very high	96.7	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.15	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	3.4	174.1	-63.8	-91.5	0	0	0	112.5	R597 K603 M620 E622 L626	R597-N624 VanDerWaalsContact CD-OD1 3.28Å; R597-N624 WeakPolarHBondContact CD-OD1 3.48Å; K603-N624 VanDerWaalsContact CE-CG 3.43Å; K603-N624 WeakPolarHBondContact CE-OD1 3.36Å; M620-N624 WeakPolarHBondContact CE-ND2 3.46Å; M620-N624 WeakPolarHBondContact O-CB 3.24Å; M620-N624 PolarHBondContact O-N 2.79Å; M620-N624 PolarHBondContact O-ND2 3.09Å; E622-N624 PolarHBondContact O-N 3.35Å; N624-L626 HydrophobicContact CB-CD1 3.63Å; N624-L626 HydrophobicContact CB-CD2 4.36Å; N624-L626 HydrophobicContact CB-CG 3.6Å; N624-L626 PolarHBondContact O-N 3.22Å
625	F	93.4	Very high	96.7	Very high	177 Å²	177	39.8 Å²	39.8	78%	0.776	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	16.5	-177	-53.4	-78.5	0	0	0	115.9	I621 E622 R849	I621-F625 CarbonylContact O-C 3.6Å; I621-F625 PolarHBondContact O-N 3.27Å; I621-F625 VanDerWaalsContact O-N 3.16Å; E622-F625 PolarHBondContact O-N 2.91Å; F625-R849 PolarHBondContact O-NH1 2.84Å
626	L	95	Very high	96.7	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.188	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-61.4	152.8	-173.6	-63	163.8	0	0	0	111.9	I621 N624 P628 L632 F670 R849	I621-L626 HydrophobicContact CG2-CB 4.47Å; I621-L626 WeakPolarHBondContact CG2-O 3.27Å; I621-L626 PolarHBondContact O-N 3.47Å; I621-L626 VanDerWaalsContact O-N 3.1Å; N624-L626 HydrophobicContact CB-CD1 3.63Å; N624-L626 HydrophobicContact CB-CD2 4.36Å; N624-L626 HydrophobicContact CB-CG 3.6Å; N624-L626 PolarHBondContact O-N 3.22Å; L626-P628 WeakPolarHBondContact O-CD 3.45Å; L626-L632 HydrophobicContact CB-CD1 4.19Å; L626-F670 HydrophobicContact CD1-CD1 4.09Å; L626-F670 HydrophobicContact CD1-CE1 3.76Å; L626-R849 PolarHBondContact O-NH1 3.36Å; L626-R849 PolarHBondContact O-NH2 3.04Å
627	Q	95.3	Very high	96.7	Very high	135 Å²	135	37.2 Å²	37.2	63%	0.631	18%	0.179	S	C	*	.	P	Polyproline II helix	trans	-63.3	127.2	171.4	178	57.5	19.8	0	0	109.6	S629 L632	Q627-S629 PolarHBondContact O-N 3.23Å; Q627-L632 VanDerWaalsContact O-CD1 3.27Å; Q627-L632 WeakPolarHBondContact O-CD1 3.26Å
628	P	96.2	Very high	96.7	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.045	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-64.1	129.1	179.8	-22.9	35	0	0	0	111.4	I621 L626 V842 L845 I846	I621-P628 HydrophobicContact CG2-CB 4.31Å; I621-P628 HydrophobicContact CG2-CG 4.04Å; L626-P628 WeakPolarHBondContact O-CD 3.45Å; P628-V842 HydrophobicContact CB-CB 4.46Å; P628-V842 HydrophobicContact CB-CG1 4.26Å; P628-V842 HydrophobicContact CB-CG2 4.32Å; P628-L845 HydrophobicContact CB-CB 3.95Å; P628-L845 HydrophobicContact CB-CD1 4.16Å; P628-L845 HydrophobicContact CG-CB 3.59Å; P628-L845 HydrophobicContact CG-CD1 4.34Å; P628-I846 HydrophobicContact CB-CG1 4.28Å; P628-I846 HydrophobicContact CG-CG1 4.07Å
629	S	96.8	Very high	96.5	Very high	23 Å²	23	37 Å²	37	16%	0.161	18%	0.178	C	C	.	.			trans	-143.5	151.7	-178.3	177.1	0	0	0	0	110.7	Q627 H631 R841	Q627-S629 PolarHBondContact O-N 3.23Å; S629-H631 VanDerWaalsContact C-N 3.33Å; S629-H631 PolarHBondContact OG-N 3.09Å; S629-H631 VanDerWaalsContact OG-N 3.15Å; S629-R841 PolarHBondContact O-NH1 3.27Å
630	V	97.2	Very high	96.3	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.085	19%	0.19	C	C	.	.	S	Bend	trans	-76.7	-23.2	171.3	-62.4	0	0	0	0	111.9	H676 F677 E681 A838 L839 V842	V630-H676 PolarHBondContact O-CE1 3.1Å; V630-F677 HydrophobicContact CB-CD2 4.11Å; V630-F677 WeakPolarHBondContact O-CD2 3.47Å; V630-E681 WeakPolarHBondContact CG2-OE1 3.5Å; V630-A838 HydrophobicContact CB-CB 4.22Å; V630-A838 HydrophobicContact CG1-CB 4.01Å; V630-L839 HydrophobicContact CG1-CD2 3.87Å; V630-L839 HydrophobicContact CG1-CG 4.17Å; V630-V842 HydrophobicContact CG1-CG2 3.96Å
631	H	97.4	Very high	96.1	Very high	56 Å²	56	38.1 Å²	38.1	26%	0.259	19%	0.192	S	C	.	.	S	Bend	trans	-78.2	-19.9	176.6	-48.5	-49.5	0	0	0	112.8	S629 A633 E672 R673 E681	S629-H631 VanDerWaalsContact C-N 3.33Å; S629-H631 PolarHBondContact OG-N 3.09Å; S629-H631 VanDerWaalsContact OG-N 3.15Å; H631-A633 PolarHBondContact O-N 3.4Å; H631-E672 CarbonylContact O-C 3.21Å; H631-E672 WeakPolarHBondContact O-CA 3.35Å; H631-R673 PolarHBondContact O-N 2.8Å; H631-E681 IonicContact CE1-OE1 2.82Å; H631-E681 IonicContact CE1-OE2 2.72Å; H631-E681 PolarHBondContact CE1-OE2 2.92Å; H631-E681 IonicContact ND1-OE2 3.55Å
632	L	97.9	Very high	96.1	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	110.4	175.9	-80	171.9	0	0	0	109.8	I621 L626 Q627 F670 E672 R841	I621-L632 HydrophobicContact CD1-CB 4.49Å; I621-L632 HydrophobicContact CD1-CD1 4.43Å; I621-L632 HydrophobicContact CG1-CD1 4.06Å; L626-L632 HydrophobicContact CB-CD1 4.19Å; Q627-L632 VanDerWaalsContact O-CD1 3.27Å; Q627-L632 WeakPolarHBondContact O-CD1 3.26Å; L632-F670 HydrophobicContact CB-CE1 4.29Å; L632-F670 HydrophobicContact CB-CE2 4.36Å; L632-F670 HydrophobicContact CB-CZ 3.76Å; L632-F670 HydrophobicContact CD2-CE1 4.13Å; L632-F670 HydrophobicContact CD2-CZ 4.42Å; L632-E672 HydrophobicContact CD2-CG 3.54Å; L632-E672 HydrophobicContact CG-CG 4Å; L632-R841 PolarHBondContact O-NH2 3.4Å
633	A	98	Very high	96.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.3	-170.8	0	0	0	0	0	112.3	H631 V646 F670 E671 R673 H676	H631-A633 PolarHBondContact O-N 3.4Å; A633-V646 HydrophobicContact CB-CG1 3.58Å; A633-F670 WeakPolarHBondContact O-CA 3.26Å; A633-F670 VanDerWaalsContact O-CD2 3.31Å; A633-F670 WeakPolarHBondContact O-CD2 3.17Å; A633-E671 PolarHBondContact N-O 3.26Å; A633-E671 PolarHBondContact O-N 2.93Å; A633-R673 HydrophobicContact CB-CB 4.35Å; A633-R673 HydrophobicContact CB-CG 4.29Å; A633-H676 VanDerWaalsContact CB-CE1 3.43Å; A633-H676 WeakPolarHBondContact CB-CE1 3.17Å
634	L	98.5	Very high	96.3	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143	170.2	-63.9	168.9	0	0	0	110.4	V595 A613 V616 F647 V653 I668 F669 F670	V595-L634 HydrophobicContact CG1-CD2 4.14Å; A613-L634 HydrophobicContact CB-CD1 4.06Å; V616-L634 HydrophobicContact CB-CD1 3.91Å; V616-L634 HydrophobicContact CG1-CD1 3.68Å; V616-L634 HydrophobicContact CG1-CD2 4.21Å; L634-F647 HydrophobicContact CB-CB 4.16Å; L634-F647 HydrophobicContact CB-CD2 3.8Å; L634-F647 HydrophobicContact CB-CE2 4.45Å; L634-F647 HydrophobicContact CB-CG 4.12Å; L634-F647 PolarHBondContact O-N 3.1Å; L634-V653 HydrophobicContact CD1-CG2 3.89Å; L634-I668 HydrophobicContact CB-CG2 4.33Å; L634-I668 HydrophobicContact CD2-CG2 3.82Å; L634-F669 CarbonylContact C-O 3.45Å; L634-F669 VanDerWaalsContact CA-O 3.3Å; L634-F669 WeakPolarHBondContact CA-O 3.28Å; L634-F670 HydrophobicContact CD2-CB 4.36Å; L634-F670 HydrophobicContact CD2-CD2 3.81Å; L634-F670 HydrophobicContact CG-CD2 4.28Å
635	V	98.5	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119.6	-179.1	-175.8	0	0	0	0	110.3	K637 E644 R645 V646 I668 F669 E671 R673	V635-K637 HydrophobicContact CG1-CD 4.45Å; V635-K637 HydrophobicContact CG1-CG 4.01Å; V635-E644 HydrophobicContact CG1-CB 4.24Å; V635-R645 CarbonylContact C-O 3.5Å; V635-R645 VanDerWaalsContact CA-O 3.26Å; V635-R645 WeakPolarHBondContact CA-O 3.49Å; V635-R645 VanDerWaalsContact CG1-O 3.26Å; V635-R645 WeakPolarHBondContact CG1-O 3.29Å; V635-V646 HydrophobicContact CG2-CG2 4.47Å; V635-I668 WeakPolarHBondContact O-CA 3.2Å; V635-F669 HydrophobicContact CB-CB 4.31Å; V635-F669 PolarHBondContact N-O 2.8Å; V635-F669 PolarHBondContact O-N 3.45Å; V635-E671 HydrophobicContact CB-CG 4.29Å; V635-E671 HydrophobicContact CG2-CG 3.6Å; V635-R673 HydrophobicContact CG2-CG 3.75Å
636	E	98.1	Very high	96.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.4	169.9	170.7	179.6	-161	0	0	108.2	V638 E644 R645 F647 W660 Y772	E636-V638 HydrophobicContact CG-CG2 3.83Å; E636-E644 CarbonylContact O-C 3.58Å; E636-E644 WeakPolarHBondContact O-CA 3.4Å; E636-E644 WeakPolarHBondContact O-CB 3.44Å; E636-R645 HydrophobicContact CB-CG 4.05Å; E636-R645 PolarHBondContact N-O 2.85Å; E636-R645 PolarHBondContact O-N 3.34Å; E636-R645 IonicContact OE2-CZ 2.89Å; E636-R645 IonicContact OE2-NE 2.71Å; E636-R645 PolarHBondContact OE2-NE 2.64Å; E636-R645 IonicContact OE2-NH2 3.17Å; E636-F647 HydrophobicContact CB-CD2 4.43Å; E636-F647 HydrophobicContact CB-CE2 3.62Å; E636-F647 HydrophobicContact CB-CZ 4.19Å; E636-W660 HydrophobicContact CG-CZ2 4.01Å; E636-W660 PolarHBondContact OE1-NE1 3.28Å; E636-Y772 VanDerWaalsContact CD-OH 3.27Å; E636-Y772 HydrophobicContact CG-CE1 4.12Å; E636-Y772 PolarHBondContact OE1-OH 3.11Å; E636-Y772 VanDerWaalsContact OE2-CE1 3.24Å; E636-Y772 WeakPolarHBondContact OE2-CE1 2.92Å; E636-Y772 VanDerWaalsContact OE2-CZ 3.3Å; E636-Y772 PolarHBondContact OE2-OH 3.2Å
637	K	97.6	Very high	96.9	Very high	39 Å²	39	24.4 Å²	24.4	17%	0.17	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.3	172.5	-51	-159.4	-174.4	-146.3	0	109.4	V635 P639 E644 N666 M667 F669 E671	V635-K637 HydrophobicContact CG1-CD 4.45Å; V635-K637 HydrophobicContact CG1-CG 4.01Å; K637-P639 WeakPolarHBondContact O-CD 3.46Å; K637-E644 HydrophobicContact CB-CB 4.37Å; K637-E644 HydrophobicContact CD-CB 4.49Å; K637-E644 WeakPolarHBondContact CD-OE2 3.33Å; K637-E644 VanDerWaalsContact CE-OE2 3.23Å; K637-E644 WeakPolarHBondContact CE-OE2 3.44Å; K637-E644 HydrophobicContact CG-CB 3.94Å; K637-E644 IonicContact NZ-OE2 2.68Å; K637-E644 PolarHBondContact NZ-OE2 3.24Å; K637-N666 WeakPolarHBondContact O-CA 3.11Å; K637-M667 PolarHBondContact N-O 2.88Å; K637-M667 PolarHBondContact O-N 3.35Å; K637-F669 HydrophobicContact CB-CD2 4.4Å; K637-F669 HydrophobicContact CD-CD2 3.65Å; K637-F669 HydrophobicContact CD-CE2 3.96Å; K637-F669 HydrophobicContact CD-CG 4.15Å; K637-F669 HydrophobicContact CG-CD2 3.83Å; K637-F669 HydrophobicContact CG-CE2 4.34Å; K637-E671 WeakPolarHBondContact CE-OE1 3.26Å; K637-E671 VanDerWaalsContact CE-OE2 3.25Å; K637-E671 WeakPolarHBondContact CE-OE2 3.34Å; K637-E671 IonicContact NZ-OE1 2.59Å; K637-E671 PolarHBondContact NZ-OE1 2.79Å; K637-E671 IonicContact NZ-OE2 3.93Å; K637-E671 PolarHBondContact NZ-OE2 2.84Å
638	V	96.9	Very high	97	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	87	-171.2	-174.7	0	0	0	0	109.8	E636 A640 L641 K642 I643 N666 Y772 Q797	E636-V638 HydrophobicContact CG-CG2 3.83Å; V638-A640 VanDerWaalsContact C-N 3.3Å; V638-A640 PolarHBondContact O-N 3.43Å; V638-L641 HydrophobicContact CG1-CB 3.98Å; V638-L641 HydrophobicContact CG1-CD1 4.01Å; V638-L641 HydrophobicContact CG1-CG 4.33Å; V638-L641 PolarHBondContact O-N 2.75Å; V638-K642 PolarHBondContact O-N 2.83Å; V638-I643 HydrophobicContact CB-CG1 3.85Å; V638-I643 HydrophobicContact CG1-CG1 4.44Å; V638-I643 HydrophobicContact CG2-CG1 4.27Å; V638-I643 PolarHBondContact N-O 3.3Å; V638-I643 PolarHBondContact O-N 3Å; V638-N666 WeakPolarHBondContact CG1-OD1 3.33Å; V638-Y772 HydrophobicContact CG2-CD1 4.48Å; V638-Y772 HydrophobicContact CG2-CE1 3.98Å; V638-Q797 VanDerWaalsContact CG1-OE1 3.23Å
639	P	94.7	Very high	97.1	Very high	32 Å²	32	18.1 Å²	18.1	21%	0.208	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30	-168.1	-26.2	36.8	0	0	0	114.9	K637 L641 K642 Q665 M667	K637-P639 WeakPolarHBondContact O-CD 3.46Å; P639-L641 VanDerWaalsContact C-N 3.33Å; P639-K642 VanDerWaalsContact O-CD 3.25Å; P639-K642 WeakPolarHBondContact O-CD 3.26Å; P639-K642 WeakPolarHBondContact O-CE 3.44Å; P639-K642 PolarHBondContact O-N 3.15Å; P639-Q665 WeakPolarHBondContact CD-O 3.34Å; P639-Q665 WeakPolarHBondContact CG-O 3.5Å; P639-M667 HydrophobicContact CG-CE 3.77Å
640	A	92.4	Very high	97.1	Very high	54 Å²	54	19.6 Å²	19.6	45%	0.446	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.7	178.7	0	0	0	0	0	112.9	V638 Q797	V638-A640 VanDerWaalsContact C-N 3.3Å; V638-A640 PolarHBondContact O-N 3.43Å; A640-Q797 WeakPolarHBondContact CB-O 3.44Å
641	L	93.7	Very high	97.1	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.052	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.3	178.8	-79	166.4	0	0	0	113.5	V638 P639 I643 W778 K792 P799 V804	V638-L641 HydrophobicContact CG1-CB 3.98Å; V638-L641 HydrophobicContact CG1-CD1 4.01Å; V638-L641 HydrophobicContact CG1-CG 4.33Å; V638-L641 PolarHBondContact O-N 2.75Å; P639-L641 VanDerWaalsContact C-N 3.33Å; L641-I643 VanDerWaalsContact C-N 3.34Å; L641-I643 HydrophobicContact CB-CD1 3.76Å; L641-I643 HydrophobicContact CB-CG1 3.74Å; L641-I643 HydrophobicContact CB-CG2 4.38Å; L641-I643 HydrophobicContact CD1-CD1 3.81Å; L641-I643 HydrophobicContact CG-CD1 4.37Å; L641-W778 PolarHBondContact O-NE1 3.38Å; L641-K792 HydrophobicContact CD1-CD 3.51Å; L641-P799 VanDerWaalsContact CD2-CA 3.48Å; L641-P799 HydrophobicContact CD2-CB 3.76Å; L641-P799 HydrophobicContact CD2-CG 4.32Å; L641-P799 VanDerWaalsContact CD2-N 3.35Å; L641-V804 HydrophobicContact CD2-CG1 4.14Å
642	K	95.7	Very high	97	Very high	79 Å²	79	18.1 Å²	18.1	34%	0.343	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	53.6	-170.5	-54.7	-65.7	176	-176	0	111.2	V638 P639 T774 T775 G776	V638-K642 PolarHBondContact O-N 2.83Å; P639-K642 VanDerWaalsContact O-CD 3.25Å; P639-K642 WeakPolarHBondContact O-CD 3.26Å; P639-K642 WeakPolarHBondContact O-CE 3.44Å; P639-K642 PolarHBondContact O-N 3.15Å; K642-T774 WeakPolarHBondContact O-CA 3.2Å; K642-T774 PolarHBondContact O-OG1 2.9Å; K642-T775 VanDerWaalsContact C-OG1 3.25Å; K642-T775 WeakPolarHBondContact CA-OG1 3.4Å; K642-T775 PolarHBondContact O-N 2.9Å; K642-T775 PolarHBondContact O-OG1 2.81Å; K642-G776 VanDerWaalsContact CB-O 3.23Å; K642-G776 WeakPolarHBondContact CB-O 3.3Å
643	I	97.4	Very high	97	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.8	176.3	67.3	-176.3	0	0	0	110.9	V638 L641 Y772 T773 W778 A790 K792	V638-I643 HydrophobicContact CB-CG1 3.85Å; V638-I643 HydrophobicContact CG1-CG1 4.44Å; V638-I643 HydrophobicContact CG2-CG1 4.27Å; V638-I643 PolarHBondContact N-O 3.3Å; V638-I643 PolarHBondContact O-N 3Å; L641-I643 VanDerWaalsContact C-N 3.34Å; L641-I643 HydrophobicContact CB-CD1 3.76Å; L641-I643 HydrophobicContact CB-CG1 3.74Å; L641-I643 HydrophobicContact CB-CG2 4.38Å; L641-I643 HydrophobicContact CD1-CD1 3.81Å; L641-I643 HydrophobicContact CG-CD1 4.37Å; I643-Y772 HydrophobicContact CD1-CD1 3.94Å; I643-Y772 HydrophobicContact CD1-CD2 4.2Å; I643-Y772 HydrophobicContact CD1-CG 3.75Å; I643-Y772 HydrophobicContact CG1-CD1 3.99Å; I643-Y772 HydrophobicContact CG1-CG 4.17Å; I643-T773 CarbonylContact C-O 3.48Å; I643-T773 WeakPolarHBondContact CA-O 3.12Å; I643-T773 VanDerWaalsContact CB-O 3.27Å; I643-T773 WeakPolarHBondContact CB-O 3.28Å; I643-W778 HydrophobicContact CG2-CZ2 3.53Å; I643-A790 HydrophobicContact CD1-CB 4.38Å; I643-A790 HydrophobicContact CG2-CB 4.4Å; I643-K792 HydrophobicContact CD1-CD 3.85Å
644	E	98.1	Very high	96.9	Very high	26 Å²	26	17.9 Å²	17.9	12%	0.121	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	167.3	172.8	63	169.9	-143.1	0	0	111.5	V635 E636 K637 R673 Y772 T773 T775	V635-E644 HydrophobicContact CG1-CB 4.24Å; E636-E644 CarbonylContact O-C 3.58Å; E636-E644 WeakPolarHBondContact O-CA 3.4Å; E636-E644 WeakPolarHBondContact O-CB 3.44Å; K637-E644 HydrophobicContact CB-CB 4.37Å; K637-E644 HydrophobicContact CD-CB 4.49Å; K637-E644 WeakPolarHBondContact CD-OE2 3.33Å; K637-E644 VanDerWaalsContact CE-OE2 3.23Å; K637-E644 WeakPolarHBondContact CE-OE2 3.44Å; K637-E644 HydrophobicContact CG-CB 3.94Å; K637-E644 IonicContact NZ-OE2 2.68Å; K637-E644 PolarHBondContact NZ-OE2 3.24Å; E644-R673 IonicContact OE1-CZ 4Å; E644-R673 IonicContact OE1-NH1 3.61Å; E644-R673 PolarHBondContact OE1-NH1 3.07Å; E644-R673 IonicContact OE1-NH2 2.83Å; E644-R673 PolarHBondContact OE1-NH2 2.68Å; E644-R673 IonicContact OE2-NH1 3.77Å; E644-Y772 CarbonylContact O-C 3.46Å; E644-Y772 WeakPolarHBondContact O-CA 3.24Å; E644-Y772 VanDerWaalsContact O-CB 3.31Å; E644-Y772 WeakPolarHBondContact O-CB 3.49Å; E644-T773 PolarHBondContact N-O 2.82Å; E644-T773 PolarHBondContact O-N 3.39Å; E644-T773 PolarHBondContact O-OG1 2.89Å; E644-T775 HydrophobicContact CB-CG2 3.89Å; E644-T775 HydrophobicContact CG-CG2 3.63Å
645	R	98	Very high	96.7	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.038	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.3	167.7	68.2	175.6	-170	92.1	7.3	110.8	V635 E636 D651 L771 Y772 Y794	V635-R645 CarbonylContact C-O 3.5Å; V635-R645 VanDerWaalsContact CA-O 3.26Å; V635-R645 WeakPolarHBondContact CA-O 3.49Å; V635-R645 VanDerWaalsContact CG1-O 3.26Å; V635-R645 WeakPolarHBondContact CG1-O 3.29Å; E636-R645 HydrophobicContact CB-CG 4.05Å; E636-R645 PolarHBondContact N-O 2.85Å; E636-R645 PolarHBondContact O-N 3.34Å; E636-R645 IonicContact OE2-CZ 2.89Å; E636-R645 IonicContact OE2-NE 2.71Å; E636-R645 PolarHBondContact OE2-NE 2.64Å; E636-R645 IonicContact OE2-NH2 3.17Å; R645-D651 IonicContact CZ-OD2 3.61Å; R645-D651 IonicContact NH1-OD2 2.81Å; R645-D651 PolarHBondContact NH1-OD2 2.9Å; R645-D651 IonicContact NH2-OD2 3.53Å; R645-L771 WeakPolarHBondContact CB-O 3.21Å; R645-Y772 HydrophobicContact CB-CD1 3.74Å; R645-Y772 HydrophobicContact CB-CE1 4.18Å; R645-Y772 HydrophobicContact CB-CG 4.15Å; R645-Y772 HydrophobicContact CG-CD1 3.69Å; R645-Y772 HydrophobicContact CG-CE1 3.59Å; R645-Y772 HydrophobicContact CG-CG 4.41Å; R645-Y794 PolarHBondContact NH2-OH 2.81Å
646	V	98.3	Very high	96.6	Very high	15 Å²	15	21.3 Å²	21.3	9%	0.091	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.1	161.9	-162.6	0	0	0	0	109	A633 V635 R673 H676	A633-V646 HydrophobicContact CB-CG1 3.58Å; V635-V646 HydrophobicContact CG2-CG2 4.47Å; V646-R673 HydrophobicContact CG1-CB 4.47Å; V646-R673 HydrophobicContact CG1-CG 4.39Å; V646-R673 HydrophobicContact CG2-CB 4.16Å; V646-R673 HydrophobicContact CG2-CG 4.01Å; V646-H676 HydrophobicContact CG1-CB 4.15Å
647	F	98.3	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-81.6	129.9	163.3	-76.3	-111.8	0	0	0	109	A613 L634 E636 D651 C656 I668	A613-F647 HydrophobicContact CB-CB 3.69Å; A613-F647 HydrophobicContact CB-CD1 4.32Å; A613-F647 HydrophobicContact CB-CG 4.37Å; L634-F647 HydrophobicContact CB-CB 4.16Å; L634-F647 HydrophobicContact CB-CD2 3.8Å; L634-F647 HydrophobicContact CB-CE2 4.45Å; L634-F647 HydrophobicContact CB-CG 4.12Å; L634-F647 PolarHBondContact O-N 3.1Å; E636-F647 HydrophobicContact CB-CD2 4.43Å; E636-F647 HydrophobicContact CB-CE2 3.62Å; E636-F647 HydrophobicContact CB-CZ 4.19Å; F647-D651 HydrophobicContact CB-CB 4.29Å; F647-D651 HydrophobicContact CD1-CB 3.66Å; F647-D651 HydrophobicContact CG-CB 4.44Å; F647-C656 HydrophobicContact CE1-CB 3.86Å; F647-C656 HydrophobicContact CZ-CB 4.01Å; F647-I668 HydrophobicContact CE2-CD1 3.76Å; F647-I668 HydrophobicContact CZ-CD1 3.7Å
648	E	97.5	Very high	96.3	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.033	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-67.5	147.6	167.7	-46.5	-65.5	175	0	0	108.2	A613 H650 D651 H676 R823 Y827	A613-E648 WeakPolarHBondContact CB-O 3.32Å; E648-H650 VanDerWaalsContact CB-CE1 3.45Å; E648-H650 WeakPolarHBondContact CB-CE1 3.32Å; E648-H650 PolarHBondContact O-N 3.2Å; E648-D651 PolarHBondContact N-OD2 3.17Å; E648-D651 WeakPolarHBondContact O-CB 3.49Å; E648-D651 PolarHBondContact O-N 3.42Å; E648-H676 IonicContact OE2-CD2 3.35Å; E648-R823 IonicContact OE1-CZ 2.62Å; E648-R823 IonicContact OE1-NE 3.58Å; E648-R823 PolarHBondContact OE1-NE 3.5Å; E648-R823 IonicContact OE1-NH2 3.62Å; E648-R823 IonicContact OE2-CZ 3.65Å; E648-R823 IonicContact OE2-NE 2.67Å; E648-R823 PolarHBondContact OE2-NE 3.47Å; E648-R823 IonicContact OE2-NH2 2.92Å; E648-R823 PolarHBondContact OE2-NH2 3.18Å; E648-Y827 HydrophobicContact CG-CD2 4.34Å; E648-Y827 HydrophobicContact CG-CE1 4.24Å; E648-Y827 HydrophobicContact CG-CE2 3.79Å; E648-Y827 WeakPolarHBondContact OE1-CE2 3.28Å
649	E	97.6	Very high	96.1	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.019	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.6	-172.8	-67.2	-86.2	123.1	0	0	113	T612 A613 G614 H676 F677 D834 M837 A838 R841	T612-E649 WeakPolarHBondContact CB-O 3.39Å; A613-E649 PolarHBondContact N-O 3.35Å; G614-E649 VanDerWaalsContact CA-OE2 3.26Å; G614-E649 WeakPolarHBondContact CA-OE2 3.39Å; G614-E649 PolarHBondContact N-O 3.32Å; E649-H676 VanDerWaalsContact CG-NE2 3.25Å; E649-H676 WeakPolarHBondContact CG-NE2 3.34Å; E649-H676 IonicContact OE1-NE2 3.97Å; E649-H676 PolarHBondContact OE1-NE2 3.49Å; E649-F677 HydrophobicContact CG-CE2 4.4Å; E649-F677 HydrophobicContact CG-CZ 3.85Å; E649-D834 HydrophobicContact CB-CB 3.98Å; E649-D834 HydrophobicContact CG-CB 4.21Å; E649-M837 HydrophobicContact CB-CE 4.02Å; E649-A838 HydrophobicContact CG-CB 4.18Å; E649-R841 IonicContact OE1-CZ 3.65Å; E649-R841 IonicContact OE1-NE 3.56Å; E649-R841 IonicContact OE1-NH2 3.61Å; E649-R841 PolarHBondContact OE1-NH2 2.92Å; E649-R841 IonicContact OE2-CZ 3.3Å; E649-R841 IonicContact OE2-NE 3.67Å; E649-R841 PolarHBondContact OE2-NE 2.62Å; E649-R841 IonicContact OE2-NH2 2.63Å; E649-R841 PolarHBondContact OE2-NH2 3.03Å
650	H	96.9	Very high	96.1	Very high	53 Å²	53	28.9 Å²	28.9	25%	0.245	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.5	178	72.6	-89	0	0	0	115.8	E648 I652 Y827 Q830 D834 M837	E648-H650 VanDerWaalsContact CB-CE1 3.45Å; E648-H650 WeakPolarHBondContact CB-CE1 3.32Å; E648-H650 PolarHBondContact O-N 3.2Å; H650-I652 PolarHBondContact O-N 3.31Å; H650-Y827 AromaticContact CE1-CD1 3.98Å; H650-Q830 WeakPolarHBondContact ND1-CG 3.33Å; H650-D834 WeakPolarHBondContact CB-OD1 3.47Å; H650-D834 IonicContact CE1-OD2 3.03Å; H650-D834 PolarHBondContact CE1-OD2 2.95Å; H650-D834 IonicContact CG-OD1 3.03Å; H650-D834 IonicContact CG-OD2 3.8Å; H650-D834 VanDerWaalsContact ND1-CG 3.33Å; H650-D834 IonicContact ND1-OD1 2.83Å; H650-D834 PolarHBondContact ND1-OD1 3.08Å; H650-D834 VanDerWaalsContact ND1-OD1 3.15Å; H650-D834 IonicContact ND1-OD2 2.7Å; H650-D834 PolarHBondContact ND1-OD2 2.95Å; H650-M837 HydrophobicContact CB-CE 4.41Å
651	D	97	Very high	96.1	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.032	15%	0.154	C	C	.	.			trans	-63.9	128.3	177.5	-94.9	-34.1	0	0	0	110.6	T612 A613 R645 F647 E648 V653 K770 Y794	T612-D651 CarbonylContact C-O 3.48Å; T612-D651 WeakPolarHBondContact CA-O 3.34Å; A613-D651 HydrophobicContact CB-CB 4.43Å; A613-D651 PolarHBondContact N-O 3.25Å; R645-D651 IonicContact CZ-OD2 3.61Å; R645-D651 IonicContact NH1-OD2 2.81Å; R645-D651 PolarHBondContact NH1-OD2 2.9Å; R645-D651 IonicContact NH2-OD2 3.53Å; F647-D651 HydrophobicContact CB-CB 4.29Å; F647-D651 HydrophobicContact CD1-CB 3.66Å; F647-D651 HydrophobicContact CG-CB 4.44Å; E648-D651 PolarHBondContact N-OD2 3.17Å; E648-D651 WeakPolarHBondContact O-CB 3.49Å; E648-D651 PolarHBondContact O-N 3.42Å; D651-V653 PolarHBondContact O-N 2.66Å; D651-K770 IonicContact OD1-NZ 3.88Å; D651-K770 PolarHBondContact OD1-NZ 3.23Å; D651-K770 IonicContact OD2-NZ 2.68Å; D651-Y794 PolarHBondContact OD1-OH 3.37Å
652	I	96.9	Very high	96	Very high	33 Å²	33	35.8 Å²	35.8	17%	0.169	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-71.8	120.4	168.9	-54.3	-56.5	0	0	0	108.9	H609 T612 H650 S654 D655	H609-I652 WeakPolarHBondContact O-CG2 3.29Å; T612-I652 HydrophobicContact CG2-CD1 4.13Å; H650-I652 PolarHBondContact O-N 3.31Å; I652-S654 PolarHBondContact O-N 3.16Å; I652-D655 HydrophobicContact CB-CB 4.24Å; I652-D655 HydrophobicContact CG2-CB 4.36Å
653	V	97.4	Very high	95.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-70.3	-35.2	-174.2	179.6	0	0	0	0	111.3	I607 M611 A613 V616 L634 D651 C656 I657	I607-V653 HydrophobicContact CD1-CB 3.93Å; I607-V653 HydrophobicContact CD1-CG1 3.83Å; M611-V653 PolarHBondContact O-N 3.06Å; M611-V653 VanDerWaalsContact O-N 3.08Å; A613-V653 HydrophobicContact CB-CG2 4.22Å; V616-V653 HydrophobicContact CB-CG2 4.32Å; V616-V653 HydrophobicContact CG2-CG2 4.04Å; L634-V653 HydrophobicContact CD1-CG2 3.89Å; D651-V653 PolarHBondContact O-N 2.66Å; V653-C656 PolarHBondContact O-N 2.67Å; V653-I657 HydrophobicContact CG1-CD1 3.87Å; V653-I657 PolarHBondContact O-N 2.91Å
654	S	95.9	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-39.5	-179.4	79.2	0	0	0	0	112.7	H609 I652 C656 I657 L658	H609-S654 PolarHBondContact ND1-OG 2.79Å; H609-S654 WeakPolarHBondContact O-CB 3.33Å; H609-S654 PolarHBondContact O-OG 2.84Å; I652-S654 PolarHBondContact O-N 3.16Å; S654-C656 PolarHBondContact O-N 2.82Å; S654-I657 PolarHBondContact O-N 2.82Å; S654-I657 VanDerWaalsContact O-N 3.11Å; S654-L658 VanDerWaalsContact O-CB 3.3Å; S654-L658 WeakPolarHBondContact O-CB 3.23Å; S654-L658 VanDerWaalsContact O-CG 3.28Å; S654-L658 WeakPolarHBondContact O-CG 3.44Å; S654-L658 PolarHBondContact O-N 3.08Å
655	D	94.7	Very high	95.2	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-55.6	-38.9	177	-79.1	-9.1	0	0	0	112.3	H609 I652 S659 Y794	H609-D655 IonicContact CE1-OD1 3.18Å; I652-D655 HydrophobicContact CB-CB 4.24Å; I652-D655 HydrophobicContact CG2-CB 4.36Å; D655-S659 WeakPolarHBondContact O-CB 3.44Å; D655-S659 PolarHBondContact O-N 3.48Å; D655-S659 PolarHBondContact O-OG 2.99Å; D655-Y794 HydrophobicContact CB-CE2 4.34Å
656	C	95.5	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-51.4	176.4	-174.1	0	0	0	0	111.2	F647 V653 S654 S659 W660 Y794	F647-C656 HydrophobicContact CE1-CB 3.86Å; F647-C656 HydrophobicContact CZ-CB 4.01Å; V653-C656 PolarHBondContact O-N 2.67Å; S654-C656 PolarHBondContact O-N 2.82Å; C656-S659 PolarHBondContact O-N 3.02Å; C656-W660 PolarHBondContact O-NE1 2.83Å; C656-Y794 HydrophobicContact CB-CD1 4.22Å; C656-Y794 HydrophobicContact CB-CD2 4.34Å; C656-Y794 HydrophobicContact CB-CE1 3.92Å; C656-Y794 HydrophobicContact CB-CE2 4.03Å; C656-Y794 HydrophobicContact CB-CG 4.42Å
657	I	95	Very high	95.1	Very high	32 Å²	32	51.2 Å²	51.2	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-76	-40.1	-171.2	-60.5	170.8	0	0	0	111.6	L591 V593 V653 S654 S659 W660 I668	L591-I657 HydrophobicContact CD2-CB 4.18Å; L591-I657 HydrophobicContact CD2-CD1 4.49Å; L591-I657 HydrophobicContact CD2-CG2 4.01Å; V593-I657 HydrophobicContact CB-CD1 4.21Å; V593-I657 HydrophobicContact CG1-CD1 3.61Å; V593-I657 HydrophobicContact CG2-CD1 3.47Å; V593-I657 VanDerWaalsContact CG2-CD1 3.47Å; V653-I657 HydrophobicContact CG1-CD1 3.87Å; V653-I657 PolarHBondContact O-N 2.91Å; S654-I657 PolarHBondContact O-N 2.82Å; S654-I657 VanDerWaalsContact O-N 3.11Å; I657-S659 PolarHBondContact O-N 3.08Å; I657-W660 HydrophobicContact CG1-CH2 4.28Å; I657-W660 HydrophobicContact CG1-CZ3 4.29Å; I657-W660 HydrophobicContact CG2-CE3 4.2Å; I657-W660 HydrophobicContact CG2-CZ3 4.43Å; I657-W660 WeakPolarHBondContact O-CB 3.46Å; I657-W660 PolarHBondContact O-N 3.43Å; I657-W660 VanDerWaalsContact O-N 3.08Å; I657-I668 HydrophobicContact CD1-CD1 4.5Å; I657-I668 HydrophobicContact CD1-CG1 4.14Å; I657-I668 HydrophobicContact CG1-CD1 4.43Å
658	L	93.9	Very high	95.1	Very high	109 Å²	109	51.4 Å²	51.4	57%	0.571	27%	0.269	S	S	*	.	H	α-helix	trans	-69	-20	176.6	-63.9	172.9	0	0	0	112.5	L591 S654	L591-L658 HydrophobicContact CD2-CD2 4.4Å; L591-L658 HydrophobicContact CD2-CG 4.47Å; S654-L658 VanDerWaalsContact O-CB 3.3Å; S654-L658 WeakPolarHBondContact O-CB 3.23Å; S654-L658 VanDerWaalsContact O-CG 3.28Å; S654-L658 WeakPolarHBondContact O-CG 3.44Å; S654-L658 PolarHBondContact O-N 3.08Å
659	S	94.2	Very high	95.2	Very high	52 Å²	52	52.8 Å²	52.8	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10	171.2	-65.3	0	0	0	0	114	D655 C656 I657 S795	D655-S659 WeakPolarHBondContact O-CB 3.44Å; D655-S659 PolarHBondContact O-N 3.48Å; D655-S659 PolarHBondContact O-OG 2.99Å; C656-S659 PolarHBondContact O-N 3.02Å; I657-S659 PolarHBondContact O-N 3.08Å; S659-S795 WeakPolarHBondContact O-CA 3.29Å
660	W	94.8	Very high	95.2	Very high	39 Å²	39	52.6 Å²	52.6	15%	0.148	27%	0.274	C	S	.	.	S	Bend	trans	-78.2	146.9	177.8	-66.4	-12.3	0	0	0	111.6	E636 C656 I657 N666 I668	E636-W660 HydrophobicContact CG-CZ2 4.01Å; E636-W660 PolarHBondContact OE1-NE1 3.28Å; C656-W660 PolarHBondContact O-NE1 2.83Å; I657-W660 HydrophobicContact CG1-CH2 4.28Å; I657-W660 HydrophobicContact CG1-CZ3 4.29Å; I657-W660 HydrophobicContact CG2-CE3 4.2Å; I657-W660 HydrophobicContact CG2-CZ3 4.43Å; I657-W660 WeakPolarHBondContact O-CB 3.46Å; I657-W660 PolarHBondContact O-N 3.43Å; I657-W660 VanDerWaalsContact O-N 3.08Å; W660-N666 HydrophobicContact CD2-CB 3.87Å; W660-N666 HydrophobicContact CE3-CB 3.88Å; W660-N666 HydrophobicContact CH2-CB 3.51Å; W660-N666 HydrophobicContact CZ2-CB 3.51Å; W660-N666 HydrophobicContact CZ3-CB 3.7Å; W660-N666 WeakPolarHBondContact CZ3-O 3.35Å; W660-N666 PolarHBondContact NE1-ND2 2.84Å; W660-I668 HydrophobicContact CH2-CD1 3.53Å; W660-I668 HydrophobicContact CH2-CG1 3.92Å; W660-I668 HydrophobicContact CZ2-CD1 3.81Å
661	P	92.3	Very high	95.2	Very high	66 Å²	66	51.2 Å²	51.2	43%	0.429	27%	0.268	S	S	.	.			trans	-59.2	148.1	169.7	-22.9	33.9	0	0	0	112.2	K663 S664 Q797	P661-K663 PolarHBondContact O-N 3.36Å; P661-S664 WeakPolarHBondContact O-CB 3.43Å; P661-S664 PolarHBondContact O-N 3.21Å; P661-Q797 HydrophobicContact CG-CG 3.93Å
662	T	90	Very high	95.2	Very high	143 Å²	143	57 Å²	57	88%	0.877	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.2	-175.9	-31.4	0	0	0	0	114.7
663	K	89.1	Confident	95.3	Very high	202 Å²	202	56.5 Å²	56.5	88%	0.878	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	25.3	174.7	-61.1	-174.2	179.1	-177.5	0	112.7	P661	P661-K663 PolarHBondContact O-N 3.36Å
664	S	92.5	Very high	95.2	Very high	38 Å²	38	60.1 Å²	60.1	27%	0.266	31%	0.314	S	S	.	.			trans	-60.2	140.7	178.7	-176.1	0	0	0	0	111.8	P661 N666	P661-S664 WeakPolarHBondContact O-CB 3.43Å; P661-S664 PolarHBondContact O-N 3.21Å; S664-N666 WeakPolarHBondContact OG-CB 3.46Å; S664-N666 PolarHBondContact OG-N 2.87Å; S664-N666 VanDerWaalsContact OG-N 3.17Å
665	Q	93.8	Very high	95.2	Very high	140 Å²	140	62.1 Å²	62.1	65%	0.654	33%	0.325	S	S	*	.			trans	-97.4	9.1	172.5	-64.1	-180	-9.3	0	0	111.9	P639	P639-Q665 WeakPolarHBondContact CD-O 3.34Å; P639-Q665 WeakPolarHBondContact CG-O 3.5Å
666	N	97.2	Very high	95.3	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.091	31%	0.306	C	S	.	.			trans	-72.9	149.9	-175.9	-62.5	-1.6	0	0	0	111.3	K637 V638 W660 S664 Q797	K637-N666 WeakPolarHBondContact O-CA 3.11Å; V638-N666 WeakPolarHBondContact CG1-OD1 3.33Å; W660-N666 HydrophobicContact CD2-CB 3.87Å; W660-N666 HydrophobicContact CE3-CB 3.88Å; W660-N666 HydrophobicContact CH2-CB 3.51Å; W660-N666 HydrophobicContact CZ2-CB 3.51Å; W660-N666 HydrophobicContact CZ3-CB 3.7Å; W660-N666 WeakPolarHBondContact CZ3-O 3.35Å; W660-N666 PolarHBondContact NE1-ND2 2.84Å; S664-N666 WeakPolarHBondContact OG-CB 3.46Å; S664-N666 PolarHBondContact OG-N 2.87Å; S664-N666 VanDerWaalsContact OG-N 3.17Å; N666-Q797 VanDerWaalsContact ND2-CD 3.27Å; N666-Q797 PolarHBondContact ND2-NE2 3.47Å; N666-Q797 VanDerWaalsContact ND2-NE2 3.1Å; N666-Q797 PolarHBondContact ND2-OE1 3.06Å; N666-Q797 PolarHBondContact OD1-OE1 3.18Å
667	M	97	Very high	95.3	Very high	58 Å²	58	58.7 Å²	58.7	29%	0.286	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.2	-174.5	-65.8	178.2	-76.7	0	0	110.1	F596 K637 P639 F669	F596-M667 HydrophobicContact CD2-CB 3.97Å; F596-M667 HydrophobicContact CD2-CG 4.21Å; F596-M667 HydrophobicContact CE2-CB 4.01Å; F596-M667 HydrophobicContact CE2-CG 3.83Å; F596-M667 HydrophobicContact CE2-SD 4.34Å; F596-M667 HydrophobicContact CZ-CG 4.37Å; F596-M667 HydrophobicContact CZ-SD 4.46Å; K637-M667 PolarHBondContact N-O 2.88Å; K637-M667 PolarHBondContact O-N 3.35Å; P639-M667 HydrophobicContact CG-CE 3.77Å; M667-F669 HydrophobicContact CB-CD2 3.97Å; M667-F669 HydrophobicContact CB-CE2 3.63Å; M667-F669 HydrophobicContact CE-CE2 4.06Å; M667-F669 HydrophobicContact CG-CE2 4.36Å; M667-F669 HydrophobicContact SD-CE2 3.87Å; M667-F669 HydrophobicContact SD-CZ 4.28Å
668	I	98.2	Very high	95.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.2	168.1	-52.4	-60	0	0	0	107.5	V593 V595 F596 L634 V635 F647 I657 W660	V593-I668 HydrophobicContact CG1-CG1 4.34Å; V595-I668 CarbonylContact C-O 3.48Å; V595-I668 WeakPolarHBondContact CA-O 3.13Å; V595-I668 HydrophobicContact CG1-CG2 4.28Å; V595-I668 HydrophobicContact CG2-CG2 4.32Å; F596-I668 PolarHBondContact N-O 3.25Å; L634-I668 HydrophobicContact CB-CG2 4.33Å; L634-I668 HydrophobicContact CD2-CG2 3.82Å; V635-I668 WeakPolarHBondContact O-CA 3.2Å; F647-I668 HydrophobicContact CE2-CD1 3.76Å; F647-I668 HydrophobicContact CZ-CD1 3.7Å; I657-I668 HydrophobicContact CD1-CD1 4.5Å; I657-I668 HydrophobicContact CD1-CG1 4.14Å; I657-I668 HydrophobicContact CG1-CD1 4.43Å; W660-I668 HydrophobicContact CH2-CD1 3.53Å; W660-I668 HydrophobicContact CH2-CG1 3.92Å; W660-I668 HydrophobicContact CZ2-CD1 3.81Å
669	F	98.3	Very high	95.3	Very high	37 Å²	37	52.2 Å²	52.2	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	155.5	172.1	-81.4	-103.2	0	0	0	110.8	F596 L634 V635 K637 M667 E671	F596-F669 HydrophobicContact CB-CD1 3.85Å; F596-F669 HydrophobicContact CB-CD2 4.23Å; F596-F669 HydrophobicContact CB-CE1 3.74Å; F596-F669 HydrophobicContact CB-CE2 4.14Å; F596-F669 HydrophobicContact CB-CG 4.09Å; F596-F669 HydrophobicContact CB-CZ 3.89Å; F596-F669 HydrophobicContact CG-CE2 4.5Å; F596-F669 HydrophobicContact CG-CZ 4.4Å; F596-F669 CarbonylContact O-C 3.58Å; F596-F669 WeakPolarHBondContact O-CA 3.47Å; L634-F669 CarbonylContact C-O 3.45Å; L634-F669 VanDerWaalsContact CA-O 3.3Å; L634-F669 WeakPolarHBondContact CA-O 3.28Å; V635-F669 HydrophobicContact CB-CB 4.31Å; V635-F669 PolarHBondContact N-O 2.8Å; V635-F669 PolarHBondContact O-N 3.45Å; K637-F669 HydrophobicContact CB-CD2 4.4Å; K637-F669 HydrophobicContact CD-CD2 3.65Å; K637-F669 HydrophobicContact CD-CE2 3.96Å; K637-F669 HydrophobicContact CD-CG 4.15Å; K637-F669 HydrophobicContact CG-CD2 3.83Å; K637-F669 HydrophobicContact CG-CE2 4.34Å; M667-F669 HydrophobicContact CB-CD2 3.97Å; M667-F669 HydrophobicContact CB-CE2 3.63Å; M667-F669 HydrophobicContact CE-CE2 4.06Å; M667-F669 HydrophobicContact CG-CE2 4.36Å; M667-F669 HydrophobicContact SD-CE2 3.87Å; M667-F669 HydrophobicContact SD-CZ 4.28Å; F669-E671 HydrophobicContact CB-CG 4.37Å; F669-E671 WeakPolarHBondContact CB-OE2 3.43Å
670	F	98.4	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	104.5	167.9	-169.8	-113.6	0	0	0	109.8	V595 F596 P598 A617 M620 I621 L626 L632 A633 L634	V595-F670 HydrophobicContact CG1-CB 3.71Å; F596-F670 PolarHBondContact O-N 2.84Å; P598-F670 WeakPolarHBondContact CD-O 3.34Å; A617-F670 HydrophobicContact CB-CE2 3.72Å; A617-F670 HydrophobicContact CB-CZ 4.23Å; M620-F670 HydrophobicContact CB-CD1 3.62Å; M620-F670 HydrophobicContact CB-CD2 4.17Å; M620-F670 HydrophobicContact CB-CE1 3.6Å; M620-F670 HydrophobicContact CB-CE2 4.17Å; M620-F670 HydrophobicContact CB-CG 3.91Å; M620-F670 HydrophobicContact CB-CZ 3.89Å; M620-F670 HydrophobicContact CE-CB 3.86Å; M620-F670 HydrophobicContact CE-CD1 4.13Å; M620-F670 HydrophobicContact CE-CG 4.18Å; M620-F670 HydrophobicContact CG-CD1 4.4Å; M620-F670 HydrophobicContact CG-CG 4.28Å; I621-F670 HydrophobicContact CD1-CZ 4.39Å; I621-F670 HydrophobicContact CG1-CE1 4.09Å; I621-F670 HydrophobicContact CG1-CZ 3.8Å; L626-F670 HydrophobicContact CD1-CD1 4.09Å; L626-F670 HydrophobicContact CD1-CE1 3.76Å; L632-F670 HydrophobicContact CB-CE1 4.29Å; L632-F670 HydrophobicContact CB-CE2 4.36Å; L632-F670 HydrophobicContact CB-CZ 3.76Å; L632-F670 HydrophobicContact CD2-CE1 4.13Å; L632-F670 HydrophobicContact CD2-CZ 4.42Å; A633-F670 WeakPolarHBondContact O-CA 3.26Å; A633-F670 VanDerWaalsContact O-CD2 3.31Å; A633-F670 WeakPolarHBondContact O-CD2 3.17Å; L634-F670 HydrophobicContact CD2-CB 4.36Å; L634-F670 HydrophobicContact CD2-CD2 3.81Å; L634-F670 HydrophobicContact CG-CD2 4.28Å
671	E	97.5	Very high	95.3	Very high	23 Å²	23	50.8 Å²	50.8	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	167.4	-164.8	57.3	-175.9	-138.9	0	0	111	P598 A633 V635 K637 F669 R673	P598-E671 HydrophobicContact CG-CB 3.65Å; A633-E671 PolarHBondContact N-O 3.26Å; A633-E671 PolarHBondContact O-N 2.93Å; V635-E671 HydrophobicContact CB-CG 4.29Å; V635-E671 HydrophobicContact CG2-CG 3.6Å; K637-E671 WeakPolarHBondContact CE-OE1 3.26Å; K637-E671 VanDerWaalsContact CE-OE2 3.25Å; K637-E671 WeakPolarHBondContact CE-OE2 3.34Å; K637-E671 IonicContact NZ-OE1 2.59Å; K637-E671 PolarHBondContact NZ-OE1 2.79Å; K637-E671 IonicContact NZ-OE2 3.93Å; K637-E671 PolarHBondContact NZ-OE2 2.84Å; F669-E671 HydrophobicContact CB-CG 4.37Å; F669-E671 WeakPolarHBondContact CB-OE2 3.43Å; E671-R673 HydrophobicContact CG-CG 4.25Å; E671-R673 IonicContact OE1-CZ 3.98Å; E671-R673 IonicContact OE1-NH1 2.86Å; E671-R673 PolarHBondContact OE1-NH1 2.82Å
672	E	97.6	Very high	95.4	Very high	129 Å²	129	50.8 Å²	50.8	60%	0.603	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.3	177.4	-69.2	-168.7	164.8	0	0	111.5	H631 L632	H631-E672 CarbonylContact O-C 3.21Å; H631-E672 WeakPolarHBondContact O-CA 3.35Å; L632-E672 HydrophobicContact CD2-CG 3.54Å; L632-E672 HydrophobicContact CG-CG 4Å
673	R	97.5	Very high	95.5	Very high	22 Å²	22	44.2 Å²	44.2	8%	0.083	22%	0.224	C	C	.	.			trans	-131.9	86.6	-170.4	-63.4	-54.7	-64	-135.7	0.9	111.6	H631 A633 V635 E644 V646 E671 D675 H676	H631-R673 PolarHBondContact O-N 2.8Å; A633-R673 HydrophobicContact CB-CB 4.35Å; A633-R673 HydrophobicContact CB-CG 4.29Å; V635-R673 HydrophobicContact CG2-CG 3.75Å; E644-R673 IonicContact OE1-CZ 4Å; E644-R673 IonicContact OE1-NH1 3.61Å; E644-R673 PolarHBondContact OE1-NH1 3.07Å; E644-R673 IonicContact OE1-NH2 2.83Å; E644-R673 PolarHBondContact OE1-NH2 2.68Å; E644-R673 IonicContact OE2-NH1 3.77Å; V646-R673 HydrophobicContact CG1-CB 4.47Å; V646-R673 HydrophobicContact CG1-CG 4.39Å; V646-R673 HydrophobicContact CG2-CB 4.16Å; V646-R673 HydrophobicContact CG2-CG 4.01Å; E671-R673 HydrophobicContact CG-CG 4.25Å; E671-R673 IonicContact OE1-CZ 3.98Å; E671-R673 IonicContact OE1-NH1 2.86Å; E671-R673 PolarHBondContact OE1-NH1 2.82Å; R673-D675 WeakPolarHBondContact CA-OD1 3.43Å; R673-D675 VanDerWaalsContact CB-OD1 3.31Å; R673-D675 WeakPolarHBondContact CB-OD1 3.4Å; R673-D675 IonicContact CZ-OD1 3.8Å; R673-D675 IonicContact CZ-OD2 2.65Å; R673-D675 IonicContact NE-OD1 2.7Å; R673-D675 PolarHBondContact NE-OD1 2.89Å; R673-D675 IonicContact NE-OD2 2.7Å; R673-D675 PolarHBondContact NE-OD2 2.92Å; R673-D675 IonicContact NH2-OD1 2.74Å; R673-D675 IonicContact NH2-OD2 3.14Å; R673-D675 PolarHBondContact NH2-OD2 3.03Å; R673-D675 PolarHBondContact O-N 2.73Å; R673-H676 HydrophobicContact CB-CB 4.08Å; R673-H676 VanDerWaalsContact O-CB 3.27Å; R673-H676 WeakPolarHBondContact O-CB 3.25Å; R673-H676 PolarHBondContact O-N 2.94Å
674	P	95.8	Very high	95.5	Very high	76 Å²	76	38 Å²	38	49%	0.494	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-24.2	173.6	-23.8	35	0	0	0	113.2	H676 G678 W686	P674-H676 VanDerWaalsContact C-N 3.26Å; P674-H676 PolarHBondContact O-N 3.25Å; P674-G678 WeakPolarHBondContact O-CA 3.31Å; P674-G678 PolarHBondContact O-N 3.47Å; P674-G678 VanDerWaalsContact O-N 3.08Å; P674-W686 HydrophobicContact CB-CZ2 4.48Å
675	D	95.3	Very high	95.5	Very high	42 Å²	42	42.1 Å²	42.1	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-70.1	-16.3	174.4	59	-43.5	0	0	0	114.2	R673 W686 R823	R673-D675 WeakPolarHBondContact CA-OD1 3.43Å; R673-D675 VanDerWaalsContact CB-OD1 3.31Å; R673-D675 WeakPolarHBondContact CB-OD1 3.4Å; R673-D675 IonicContact CZ-OD1 3.8Å; R673-D675 IonicContact CZ-OD2 2.65Å; R673-D675 IonicContact NE-OD1 2.7Å; R673-D675 PolarHBondContact NE-OD1 2.89Å; R673-D675 IonicContact NE-OD2 2.7Å; R673-D675 PolarHBondContact NE-OD2 2.92Å; R673-D675 IonicContact NH2-OD1 2.74Å; R673-D675 IonicContact NH2-OD2 3.14Å; R673-D675 PolarHBondContact NH2-OD2 3.03Å; R673-D675 PolarHBondContact O-N 2.73Å; D675-W686 VanDerWaalsContact CA-CH2 3.42Å; D675-W686 HydrophobicContact CB-CH2 3.54Å; D675-W686 HydrophobicContact CB-CZ2 4.49Å; D675-W686 HydrophobicContact CB-CZ3 3.57Å; D675-R823 PolarHBondContact O-NH1 3.04Å
676	H	97	Very high	95.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-54.9	-178.5	-169.4	-157.1	0	0	0	111.7	V630 A633 V646 E648 E649 R673 P674 R823	V630-H676 PolarHBondContact O-CE1 3.1Å; A633-H676 VanDerWaalsContact CB-CE1 3.43Å; A633-H676 WeakPolarHBondContact CB-CE1 3.17Å; V646-H676 HydrophobicContact CG1-CB 4.15Å; E648-H676 IonicContact OE2-CD2 3.35Å; E649-H676 VanDerWaalsContact CG-NE2 3.25Å; E649-H676 WeakPolarHBondContact CG-NE2 3.34Å; E649-H676 IonicContact OE1-NE2 3.97Å; E649-H676 PolarHBondContact OE1-NE2 3.49Å; R673-H676 HydrophobicContact CB-CB 4.08Å; R673-H676 VanDerWaalsContact O-CB 3.27Å; R673-H676 WeakPolarHBondContact O-CB 3.25Å; R673-H676 PolarHBondContact O-N 2.94Å; P674-H676 VanDerWaalsContact C-N 3.26Å; P674-H676 PolarHBondContact O-N 3.25Å; H676-R823 VanDerWaalsContact O-CZ 3.27Å; H676-R823 PolarHBondContact O-NH1 2.95Å; H676-R823 PolarHBondContact O-NH2 3.23Å
677	F	97.1	Very high	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-116.8	-1.2	-179	-65.8	-60.8	0	0	0	115.1	V630 E649 L679 I680 E681 D834 Y835 A838	V630-F677 HydrophobicContact CB-CD2 4.11Å; V630-F677 WeakPolarHBondContact O-CD2 3.47Å; E649-F677 HydrophobicContact CG-CE2 4.4Å; E649-F677 HydrophobicContact CG-CZ 3.85Å; F677-L679 PolarHBondContact O-N 3.09Å; F677-I680 HydrophobicContact CD1-CD1 4.42Å; F677-I680 WeakPolarHBondContact O-CB 3.3Å; F677-I680 PolarHBondContact O-N 2.93Å; F677-E681 PolarHBondContact O-N 3.29Å; F677-D834 HydrophobicContact CE1-CB 3.99Å; F677-D834 HydrophobicContact CZ-CB 4.15Å; F677-Y835 HydrophobicContact CB-CD2 3.7Å; F677-Y835 HydrophobicContact CB-CE2 3.99Å; F677-Y835 AromaticContact CD1-CD2 3.7Å; F677-Y835 HydrophobicContact CD1-CD2 3.7Å; F677-Y835 HydrophobicContact CD1-CG 4.15Å; F677-Y835 HydrophobicContact CD2-CD2 4.07Å; F677-Y835 HydrophobicContact CE1-CD2 4.33Å; F677-Y835 AromaticContact CG-CD2 3.55Å; F677-Y835 HydrophobicContact CG-CD2 3.55Å; F677-Y835 HydrophobicContact CG-CE2 4.28Å; F677-Y835 HydrophobicContact CG-CG 4.44Å; F677-A838 HydrophobicContact CD2-CB 4.35Å; F677-A838 HydrophobicContact CE2-CB 3.48Å; F677-A838 VanDerWaalsContact CE2-CB 3.48Å; F677-A838 HydrophobicContact CZ-CB 3.88Å
678	G	94.7	Very high	94.7	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-54.7	-26.8	-179.1	0	0	0	0	0	115.1	P674 I680 E681 S682	P674-G678 WeakPolarHBondContact O-CA 3.31Å; P674-G678 PolarHBondContact O-N 3.47Å; P674-G678 VanDerWaalsContact O-N 3.08Å; G678-I680 PolarHBondContact O-N 3.31Å; G678-E681 PolarHBondContact O-N 3.05Å; G678-S682 CarbonylContact O-C 3.54Å; G678-S682 WeakPolarHBondContact O-CA 3.47Å; G678-S682 PolarHBondContact O-N 2.98Å
679	L	94	Very high	93.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-21.8	174.6	75.8	89.9	0	0	0	114	F677 W686 I687 L707 V824 L831	F677-L679 PolarHBondContact O-N 3.09Å; L679-W686 HydrophobicContact CB-CB 4.06Å; L679-I687 HydrophobicContact CB-CG1 4.49Å; L679-L707 HydrophobicContact CD1-CD1 4.42Å; L679-V824 HydrophobicContact CD1-CG2 3.84Å; L679-V824 HydrophobicContact CD2-CG2 4.36Å; L679-L831 HydrophobicContact CD2-CD1 4.39Å
680	I	94.8	Very high	92.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-92.5	-40.8	174.3	-59.9	174.8	0	0	0	110.2	F677 G678 A700 I703 Q704 L707 Y835	F677-I680 HydrophobicContact CD1-CD1 4.42Å; F677-I680 WeakPolarHBondContact O-CB 3.3Å; F677-I680 PolarHBondContact O-N 2.93Å; G678-I680 PolarHBondContact O-N 3.31Å; I680-A700 WeakPolarHBondContact O-CA 3.42Å; I680-A700 WeakPolarHBondContact O-CB 3.34Å; I680-I703 HydrophobicContact CG2-CG2 4.45Å; I680-Q704 HydrophobicContact CG2-CG 3.72Å; I680-L707 HydrophobicContact CD1-CD1 4.16Å; I680-L707 HydrophobicContact CG1-CD1 4.01Å; I680-Y835 HydrophobicContact CD1-CD1 4.11Å; I680-Y835 HydrophobicContact CD1-CG 3.85Å; I680-Y835 HydrophobicContact CG2-CD1 3.84Å; I680-Y835 HydrophobicContact CG2-CE1 3.76Å; I680-Y835 HydrophobicContact CG2-CG 4.44Å
681	E	94.1	Very high	91.3	Very high	61 Å²	61	45.4 Å²	45.4	29%	0.285	23%	0.225	S	C	.	.	H	α-helix	trans	-80.5	-23.9	-174.1	-61.6	165.4	142.7	0	0	113.7	V630 H631 F677 G678 Y835	V630-E681 WeakPolarHBondContact CG2-OE1 3.5Å; H631-E681 IonicContact CE1-OE1 2.82Å; H631-E681 IonicContact CE1-OE2 2.72Å; H631-E681 PolarHBondContact CE1-OE2 2.92Å; H631-E681 IonicContact ND1-OE2 3.55Å; F677-E681 PolarHBondContact O-N 3.29Å; G678-E681 PolarHBondContact O-N 3.05Å; E681-Y835 HydrophobicContact CG-CE2 4.06Å
682	S	93.1	Very high	90.2	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	22%	0.22	S	C	.	.			trans	-152.3	60.9	-176.2	-68.4	0	0	0	0	111.9	G678 D684 Y685 W686	G678-S682 CarbonylContact O-C 3.54Å; G678-S682 WeakPolarHBondContact O-CA 3.47Å; G678-S682 PolarHBondContact O-N 2.98Å; S682-D684 VanDerWaalsContact C-N 3.26Å; S682-D684 PolarHBondContact O-N 3.2Å; S682-D684 VanDerWaalsContact O-N 3.12Å; S682-Y685 PolarHBondContact O-N 3.1Å; S682-W686 PolarHBondContact O-N 3.16Å
683	P	91.8	Very high	89	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.032	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-34.3	-170.5	21.5	-33.7	0	0	0	114.1	Y685 W686 I687 G688 T692 F697 I703	P683-Y685 PolarHBondContact O-N 3.03Å; P683-W686 PolarHBondContact O-N 3.44Å; P683-I687 HydrophobicContact CB-CD1 4.18Å; P683-I687 WeakPolarHBondContact O-CA 3.42Å; P683-I687 WeakPolarHBondContact O-CB 3.44Å; P683-I687 PolarHBondContact O-N 2.91Å; P683-G688 PolarHBondContact O-N 2.96Å; P683-T692 HydrophobicContact CB-CG2 4.09Å; P683-F697 WeakPolarHBondContact CB-O 3.4Å; P683-F697 WeakPolarHBondContact CG-O 3.4Å; P683-I703 HydrophobicContact CB-CB 4.23Å; P683-I703 HydrophobicContact CB-CG1 4.36Å; P683-I703 HydrophobicContact CB-CG2 4.28Å; P683-I703 HydrophobicContact CG-CB 4.38Å; P683-I703 HydrophobicContact CG-CG2 4.15Å
684	D	90.5	Very high	88	Confident	71 Å²	71	48.5 Å²	48.5	38%	0.38	25%	0.245	S	C	.	.	I	π-helix	trans	-59	-31.7	178.4	-64.9	-27.5	0	0	0	113.8	S682 G688 E689 T692	S682-D684 VanDerWaalsContact C-N 3.26Å; S682-D684 PolarHBondContact O-N 3.2Å; S682-D684 VanDerWaalsContact O-N 3.12Å; D684-G688 CarbonylContact O-C 3.54Å; D684-G688 WeakPolarHBondContact O-CA 3.35Å; D684-G688 PolarHBondContact O-N 3.45Å; D684-E689 PolarHBondContact O-N 2.88Å; D684-T692 WeakPolarHBondContact OD1-CB 3.31Å; D684-T692 WeakPolarHBondContact OD1-CG2 3.38Å; D684-T692 PolarHBondContact OD1-OG1 3.22Å
685	Y	92.5	Very high	87	Confident	126 Å²	126	47.8 Å²	47.8	49%	0.494	24%	0.235	S	C	.	.	I	π-helix	trans	-87.9	-32.7	-178.2	-179	-101.7	0	0	0	113.5	S682 P683 R816	S682-Y685 PolarHBondContact O-N 3.1Å; P683-Y685 PolarHBondContact O-N 3.03Å; Y685-R816 VanDerWaalsContact CE2-NH1 3.3Å; Y685-R816 PolarHBondContact O-NH1 2.89Å; Y685-R816 VanDerWaalsContact OH-CZ 3.28Å; Y685-R816 PolarHBondContact OH-NH2 2.98Å
686	W	93.5	Very high	86.1	Confident	40 Å²	40	48.6 Å²	48.6	15%	0.152	25%	0.247	C	C	.	.	I	π-helix	trans	-96.9	-39.8	-173.7	-69.3	97.2	0	0	0	113.2	P674 D675 L679 S682 P683 R816 H817 S820	P674-W686 HydrophobicContact CB-CZ2 4.48Å; D675-W686 VanDerWaalsContact CA-CH2 3.42Å; D675-W686 HydrophobicContact CB-CH2 3.54Å; D675-W686 HydrophobicContact CB-CZ2 4.49Å; D675-W686 HydrophobicContact CB-CZ3 3.57Å; L679-W686 HydrophobicContact CB-CB 4.06Å; S682-W686 PolarHBondContact O-N 3.16Å; P683-W686 PolarHBondContact O-N 3.44Å; W686-R816 HydrophobicContact CD2-CG 4.2Å; W686-R816 HydrophobicContact CE3-CG 3.34Å; W686-R816 HydrophobicContact CZ3-CG 3.52Å; W686-H817 WeakPolarHBondContact O-CA 3.41Å; W686-S820 WeakPolarHBondContact O-CB 3.37Å; W686-S820 PolarHBondContact O-OG 2.88Å
687	I	90.4	Very high	85.3	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.067	26%	0.256	C	S	.	.	I	π-helix	trans	-92.8	-39.3	177.2	-59	173.9	0	0	0	109.9	L679 P683 T691 T692 I703 H817 R821	L679-I687 HydrophobicContact CB-CG1 4.49Å; P683-I687 HydrophobicContact CB-CD1 4.18Å; P683-I687 WeakPolarHBondContact O-CA 3.42Å; P683-I687 WeakPolarHBondContact O-CB 3.44Å; P683-I687 PolarHBondContact O-N 2.91Å; I687-T691 HydrophobicContact CG2-CG2 4.41Å; I687-T692 HydrophobicContact CB-CG2 4.48Å; I687-I703 HydrophobicContact CD1-CD1 3.38Å; I687-I703 HydrophobicContact CD1-CG1 3.89Å; I687-H817 PolarHBondContact O-CD2 2.74Å; I687-R821 HydrophobicContact CG2-CG 4.41Å; I687-R821 PolarHBondContact O-NE 3.17Å; I687-R821 PolarHBondContact O-NH2 2.73Å
688	G	86.2	Confident	84.3	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.021	28%	0.281	C	S	.	.	I	π-helix	trans	112.9	122.3	171.9	0	0	0	0	0	113.7	P683 D684 E690 T691 T692 H817	P683-G688 PolarHBondContact O-N 2.96Å; D684-G688 CarbonylContact O-C 3.54Å; D684-G688 WeakPolarHBondContact O-CA 3.35Å; D684-G688 PolarHBondContact O-N 3.45Å; G688-E690 VanDerWaalsContact C-N 3.28Å; G688-E690 PolarHBondContact O-N 3.09Å; G688-E690 VanDerWaalsContact O-N 3.08Å; G688-T691 WeakPolarHBondContact O-CB 3.25Å; G688-T691 PolarHBondContact O-N 2.91Å; G688-T692 PolarHBondContact O-N 2.75Å; G688-T692 VanDerWaalsContact O-N 3.16Å; G688-H817 VanDerWaalsContact CA-NE2 3.34Å; G688-H817 WeakPolarHBondContact CA-NE2 3.4Å
689	E	77.1	Confident	83.8	Confident	124 Å²	124	58 Å²	58	58%	0.579	29%	0.294	S	S	*	.	H	α-helix	trans	-34.8	-48.4	176.1	-174.5	-175.9	-168.9	0	0	115.3	D684 T691 T692 T693	D684-E689 PolarHBondContact O-N 2.88Å; E689-T691 PolarHBondContact O-N 3.3Å; E689-T691 VanDerWaalsContact O-N 3.08Å; E689-T692 VanDerWaalsContact CA-OG1 3.26Å; E689-T692 WeakPolarHBondContact CA-OG1 3.41Å; E689-T692 PolarHBondContact O-N 3.46Å; E689-T692 PolarHBondContact O-OG1 3.35Å; E689-T693 HydrophobicContact CG-CG2 4.33Å; E689-T693 WeakPolarHBondContact O-CB 3.31Å; E689-T693 VanDerWaalsContact O-CG2 3.31Å; E689-T693 WeakPolarHBondContact O-CG2 3.49Å; E689-T693 PolarHBondContact O-N 3.37Å; E689-T693 PolarHBondContact O-OG1 3.35Å
690	E	74.1	Confident	83.5	Confident	130 Å²	130	59.6 Å²	59.6	61%	0.607	31%	0.308	S	S	*	.	H	α-helix	trans	-62.2	-20.6	-178.6	-157.8	-151.4	140.7	0	0	113.2	G688 T693 K694	G688-E690 VanDerWaalsContact C-N 3.28Å; G688-E690 PolarHBondContact O-N 3.09Å; G688-E690 VanDerWaalsContact O-N 3.08Å; E690-T693 PolarHBondContact O-OG1 3.4Å; E690-K694 WeakPolarHBondContact O-CB 3.45Å; E690-K694 WeakPolarHBondContact O-CD 3.2Å; E690-K694 WeakPolarHBondContact O-CG 3.11Å; E690-K694 IonicContact OE1-NZ 3.15Å; E690-K694 PolarHBondContact OE1-NZ 2.88Å
691	T	72.5	Confident	83.3	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-99.7	-40.6	175.3	-61.9	0	0	0	0	112.2	I687 G688 E689 T693 K694 Q695 R821	I687-T691 HydrophobicContact CG2-CG2 4.41Å; G688-T691 WeakPolarHBondContact O-CB 3.25Å; G688-T691 PolarHBondContact O-N 2.91Å; E689-T691 PolarHBondContact O-N 3.3Å; E689-T691 VanDerWaalsContact O-N 3.08Å; T691-T693 PolarHBondContact O-N 3.38Å; T691-K694 PolarHBondContact O-N 2.99Å; T691-Q695 VanDerWaalsContact CG2-CD 3.41Å; T691-Q695 HydrophobicContact CG2-CG 4.03Å; T691-Q695 VanDerWaalsContact CG2-OE1 3.24Å; T691-Q695 VanDerWaalsContact O-CB 3.29Å; T691-Q695 WeakPolarHBondContact O-CB 3.32Å; T691-Q695 WeakPolarHBondContact O-CG 3.36Å; T691-Q695 PolarHBondContact O-N 3.17Å; T691-R821 PolarHBondContact OG1-NH2 2.71Å
692	T	74.2	Confident	83.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-30.4	177.2	55.1	0	0	0	0	111.7	P683 D684 I687 G688 E689 A696 F697	P683-T692 HydrophobicContact CB-CG2 4.09Å; D684-T692 WeakPolarHBondContact OD1-CB 3.31Å; D684-T692 WeakPolarHBondContact OD1-CG2 3.38Å; D684-T692 PolarHBondContact OD1-OG1 3.22Å; I687-T692 HydrophobicContact CB-CG2 4.48Å; G688-T692 PolarHBondContact O-N 2.75Å; G688-T692 VanDerWaalsContact O-N 3.16Å; E689-T692 VanDerWaalsContact CA-OG1 3.26Å; E689-T692 WeakPolarHBondContact CA-OG1 3.41Å; E689-T692 PolarHBondContact O-N 3.46Å; E689-T692 PolarHBondContact O-OG1 3.35Å; T692-A696 CarbonylContact O-C 3.42Å; T692-A696 WeakPolarHBondContact O-CA 3.47Å; T692-A696 PolarHBondContact O-N 3.35Å; T692-F697 WeakPolarHBondContact CB-O 3.48Å; T692-F697 HydrophobicContact CG2-CB 4.48Å; T692-F697 VanDerWaalsContact CG2-O 3.26Å; T692-F697 WeakPolarHBondContact CG2-O 3.45Å; T692-F697 PolarHBondContact O-N 3.36Å
693	T	72.2	Confident	83	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-67.9	-53.4	166.3	52.7	0	0	0	0	112.2	E689 E690 T691 Q695 A696	E689-T693 HydrophobicContact CG-CG2 4.33Å; E689-T693 WeakPolarHBondContact O-CB 3.31Å; E689-T693 VanDerWaalsContact O-CG2 3.31Å; E689-T693 WeakPolarHBondContact O-CG2 3.49Å; E689-T693 PolarHBondContact O-N 3.37Å; E689-T693 PolarHBondContact O-OG1 3.35Å; E690-T693 PolarHBondContact O-OG1 3.4Å; T691-T693 PolarHBondContact O-N 3.38Å; T693-Q695 VanDerWaalsContact C-N 3.26Å; T693-Q695 PolarHBondContact O-N 3.13Å; T693-A696 PolarHBondContact O-N 3.04Å
694	K	76.2	Confident	83.1	Confident	149 Å²	149	63.7 Å²	63.7	65%	0.648	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-23.6	-178.8	-74.4	178.1	-173.1	175	0	114.9	E690 T691	E690-K694 WeakPolarHBondContact O-CB 3.45Å; E690-K694 WeakPolarHBondContact O-CD 3.2Å; E690-K694 WeakPolarHBondContact O-CG 3.11Å; E690-K694 IonicContact OE1-NZ 3.15Å; E690-K694 PolarHBondContact OE1-NZ 2.88Å; T691-K694 PolarHBondContact O-N 2.99Å
695	Q	74.9	Confident	83.2	Confident	62 Å²	62	63.7 Å²	63.7	29%	0.29	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	6.2	-177.2	-56.6	-179.4	-13.2	0	0	112.7	T691 T693 F697 P716	T691-Q695 VanDerWaalsContact CG2-CD 3.41Å; T691-Q695 HydrophobicContact CG2-CG 4.03Å; T691-Q695 VanDerWaalsContact CG2-OE1 3.24Å; T691-Q695 VanDerWaalsContact O-CB 3.29Å; T691-Q695 WeakPolarHBondContact O-CB 3.32Å; T691-Q695 WeakPolarHBondContact O-CG 3.36Å; T691-Q695 PolarHBondContact O-N 3.17Å; T693-Q695 VanDerWaalsContact C-N 3.26Å; T693-Q695 PolarHBondContact O-N 3.13Å; Q695-F697 HydrophobicContact CB-CD2 3.57Å; Q695-F697 HydrophobicContact CB-CE2 3.46Å; Q695-F697 VanDerWaalsContact CB-CE2 3.46Å; Q695-F697 HydrophobicContact CB-CG 4.31Å; Q695-F697 HydrophobicContact CB-CZ 4.1Å; Q695-F697 HydrophobicContact CG-CE2 4.34Å; Q695-F697 WeakPolarHBondContact O-CD1 3.27Å; Q695-F697 VanDerWaalsContact O-CE1 3.29Å; Q695-F697 WeakPolarHBondContact O-CE1 3.43Å; Q695-F697 PolarHBondContact O-N 3.36Å; Q695-P716 VanDerWaalsContact NE2-CB 3.33Å
696	A	77.2	Confident	83.2	Confident	58 Å²	58	58.4 Å²	58.4	48%	0.479	31%	0.306	S	S	.	.			trans	59.5	12.5	-177.5	0	0	0	0	0	117.3	T692 T693 H698	T692-A696 CarbonylContact O-C 3.42Å; T692-A696 WeakPolarHBondContact O-CA 3.47Å; T692-A696 PolarHBondContact O-N 3.35Å; T693-A696 PolarHBondContact O-N 3.04Å; A696-H698 PolarHBondContact O-N 2.89Å; A696-H698 PolarHBondContact O-ND1 3.08Å
697	F	79.5	Confident	83.2	Confident	44 Å²	44	56.5 Å²	56.5	19%	0.193	30%	0.299	C	S	.	.			trans	-82.7	44.3	179.6	-50.4	-41.3	0	0	0	114.7	P683 T692 Q695 I703 M706 P716	P683-F697 WeakPolarHBondContact CB-O 3.4Å; P683-F697 WeakPolarHBondContact CG-O 3.4Å; T692-F697 WeakPolarHBondContact CB-O 3.48Å; T692-F697 HydrophobicContact CG2-CB 4.48Å; T692-F697 VanDerWaalsContact CG2-O 3.26Å; T692-F697 WeakPolarHBondContact CG2-O 3.45Å; T692-F697 PolarHBondContact O-N 3.36Å; Q695-F697 HydrophobicContact CB-CD2 3.57Å; Q695-F697 HydrophobicContact CB-CE2 3.46Å; Q695-F697 VanDerWaalsContact CB-CE2 3.46Å; Q695-F697 HydrophobicContact CB-CG 4.31Å; Q695-F697 HydrophobicContact CB-CZ 4.1Å; Q695-F697 HydrophobicContact CG-CE2 4.34Å; Q695-F697 WeakPolarHBondContact O-CD1 3.27Å; Q695-F697 VanDerWaalsContact O-CE1 3.29Å; Q695-F697 WeakPolarHBondContact O-CE1 3.43Å; Q695-F697 PolarHBondContact O-N 3.36Å; F697-I703 HydrophobicContact CB-CD1 3.92Å; F697-I703 HydrophobicContact CD2-CD1 4.38Å; F697-I703 HydrophobicContact CG-CD1 4.23Å; F697-M706 HydrophobicContact CD1-CB 3.92Å; F697-M706 HydrophobicContact CD1-CG 4.3Å; F697-M706 HydrophobicContact CD2-CG 4.2Å; F697-M706 HydrophobicContact CE1-CB 3.64Å; F697-M706 HydrophobicContact CE1-CG 3.77Å; F697-M706 HydrophobicContact CE2-CB 4.31Å; F697-M706 HydrophobicContact CE2-CG 3.62Å; F697-M706 HydrophobicContact CG-CB 4.41Å; F697-M706 HydrophobicContact CZ-CB 3.85Å; F697-M706 HydrophobicContact CZ-CG 3.4Å; F697-P716 HydrophobicContact CE2-CG 4.34Å
698	H	77.4	Confident	83.4	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.546	32%	0.316	S	S	.	.			trans	-86.7	0.9	-174	62.4	-84.7	0	0	0	114.4	A696	A696-H698 PolarHBondContact O-N 2.89Å; A696-H698 PolarHBondContact O-ND1 3.08Å
699	S	83.5	Confident	83.7	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-131	157.3	178.3	77.3	0	0	0	0	111.3	E701 A702 I703	S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 3Å; S699-A702 PolarHBondContact O-N 3.15Å; S699-A702 VanDerWaalsContact O-N 3.13Å; S699-A702 WeakPolarHBondContact OG-CB 3.44Å; S699-A702 PolarHBondContact OG-N 3.43Å; S699-I703 PolarHBondContact O-N 2.72Å
700	A	88.1	Confident	84.4	Confident	37 Å²	37	58 Å²	58	31%	0.306	31%	0.31	S	S	.	.	H	α-helix	trans	-56.1	-41.7	173.9	0	0	0	0	0	111.6	I680 A702 I703 Q704	I680-A700 WeakPolarHBondContact O-CA 3.42Å; I680-A700 WeakPolarHBondContact O-CB 3.34Å; A700-A702 PolarHBondContact O-N 2.84Å; A700-I703 WeakPolarHBondContact O-CG2 3.49Å; A700-I703 PolarHBondContact O-N 3.22Å; A700-Q704 WeakPolarHBondContact O-CB 3.3Å; A700-Q704 WeakPolarHBondContact O-CG 3.06Å; A700-Q704 PolarHBondContact O-N 3.41Å
701	E	91	Very high	85.1	Confident	149 Å²	149	56.9 Å²	56.9	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-63.1	-41.1	175.6	-175.6	177.1	-161.1	0	0	112.4	S699 T705	S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 3Å; E701-T705 VanDerWaalsContact O-CB 3.28Å; E701-T705 WeakPolarHBondContact O-CB 3.41Å; E701-T705 PolarHBondContact O-N 3.35Å; E701-T705 PolarHBondContact O-OG1 2.94Å
702	A	89.5	Confident	86	Confident	22 Å²	22	62 Å²	62	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-68.5	-40.9	179.6	0	0	0	0	0	112.2	S699 A700 T705 M706	S699-A702 PolarHBondContact O-N 3.15Å; S699-A702 VanDerWaalsContact O-N 3.13Å; S699-A702 WeakPolarHBondContact OG-CB 3.44Å; S699-A702 PolarHBondContact OG-N 3.43Å; A700-A702 PolarHBondContact O-N 2.84Å; A702-T705 PolarHBondContact O-N 2.61Å; A702-M706 PolarHBondContact O-N 2.77Å
703	I	91.5	Very high	86.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-73.2	-34.1	177	-163	70.7	0	0	0	112.1	I680 P683 I687 F697 S699 A700 M706 L707	I680-I703 HydrophobicContact CG2-CG2 4.45Å; P683-I703 HydrophobicContact CB-CB 4.23Å; P683-I703 HydrophobicContact CB-CG1 4.36Å; P683-I703 HydrophobicContact CB-CG2 4.28Å; P683-I703 HydrophobicContact CG-CB 4.38Å; P683-I703 HydrophobicContact CG-CG2 4.15Å; I687-I703 HydrophobicContact CD1-CD1 3.38Å; I687-I703 HydrophobicContact CD1-CG1 3.89Å; F697-I703 HydrophobicContact CB-CD1 3.92Å; F697-I703 HydrophobicContact CD2-CD1 4.38Å; F697-I703 HydrophobicContact CG-CD1 4.23Å; S699-I703 PolarHBondContact O-N 2.72Å; A700-I703 WeakPolarHBondContact O-CG2 3.49Å; A700-I703 PolarHBondContact O-N 3.22Å; I703-M706 HydrophobicContact CD1-CE 3.41Å; I703-M706 VanDerWaalsContact CD1-CE 3.41Å; I703-M706 HydrophobicContact CG1-CE 4.19Å; I703-M706 PolarHBondContact O-N 3.49Å; I703-L707 WeakPolarHBondContact O-CG 3.41Å; I703-L707 PolarHBondContact O-N 2.82Å
704	Q	93.9	Very high	87.1	Confident	46 Å²	46	62.8 Å²	62.8	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-40.7	170	-68.7	171.3	25.2	0	0	111.6	I680 A700 M706 L707 N708 L832	I680-Q704 HydrophobicContact CG2-CG 3.72Å; A700-Q704 WeakPolarHBondContact O-CB 3.3Å; A700-Q704 WeakPolarHBondContact O-CG 3.06Å; A700-Q704 PolarHBondContact O-N 3.41Å; Q704-M706 VanDerWaalsContact C-N 3.34Å; Q704-M706 PolarHBondContact O-N 3Å; Q704-L707 PolarHBondContact O-N 3.41Å; Q704-N708 WeakPolarHBondContact O-CB 3.26Å; Q704-N708 PolarHBondContact O-N 3.44Å; Q704-N708 PolarHBondContact O-ND2 3.08Å; Q704-L832 HydrophobicContact CB-CD1 4.13Å; Q704-L832 HydrophobicContact CB-CD2 4.06Å; Q704-L832 HydrophobicContact CG-CD1 3.67Å; Q704-L832 WeakPolarHBondContact O-CD2 3.15Å
705	T	92.6	Very high	87.7	Confident	72 Å²	72	57 Å²	57	44%	0.442	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-40.2	174.7	-61.2	0	0	0	0	111.5	E701 A702 N709	E701-T705 VanDerWaalsContact O-CB 3.28Å; E701-T705 WeakPolarHBondContact O-CB 3.41Å; E701-T705 PolarHBondContact O-N 3.35Å; E701-T705 PolarHBondContact O-OG1 2.94Å; A702-T705 PolarHBondContact O-N 2.61Å; T705-N709 PolarHBondContact O-N 2.86Å; T705-N709 PolarHBondContact O-ND2 3.31Å
706	M	91.8	Very high	88.3	Confident	15 Å²	15	55.8 Å²	55.8	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-51.1	171.9	-174.8	-75.5	-65.6	0	0	111.4	F697 A702 I703 Q704 N708 N709 I710 V824	F697-M706 HydrophobicContact CD1-CB 3.92Å; F697-M706 HydrophobicContact CD1-CG 4.3Å; F697-M706 HydrophobicContact CD2-CG 4.2Å; F697-M706 HydrophobicContact CE1-CB 3.64Å; F697-M706 HydrophobicContact CE1-CG 3.77Å; F697-M706 HydrophobicContact CE2-CB 4.31Å; F697-M706 HydrophobicContact CE2-CG 3.62Å; F697-M706 HydrophobicContact CG-CB 4.41Å; F697-M706 HydrophobicContact CZ-CB 3.85Å; F697-M706 HydrophobicContact CZ-CG 3.4Å; A702-M706 PolarHBondContact O-N 2.77Å; I703-M706 HydrophobicContact CD1-CE 3.41Å; I703-M706 VanDerWaalsContact CD1-CE 3.41Å; I703-M706 HydrophobicContact CG1-CE 4.19Å; I703-M706 PolarHBondContact O-N 3.49Å; Q704-M706 VanDerWaalsContact C-N 3.34Å; Q704-M706 PolarHBondContact O-N 3Å; M706-N708 VanDerWaalsContact C-N 3.32Å; M706-N708 PolarHBondContact O-N 3.4Å; M706-N709 CarbonylContact O-C 3.58Å; M706-N709 PolarHBondContact O-N 2.85Å; M706-N709 VanDerWaalsContact O-N 3.09Å; M706-I710 PolarHBondContact O-N 2.74Å; M706-I710 HydrophobicContact SD-CB 4.28Å; M706-I710 HydrophobicContact SD-CD1 3.88Å; M706-I710 HydrophobicContact SD-CG1 4.07Å; M706-V824 HydrophobicContact CE-CG1 3.93Å
707	L	94.3	Very high	88.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-35.3	-179.2	-71.6	172.3	0	0	0	113.2	L679 I680 I703 Q704 I710 V824 R829 L832	L679-L707 HydrophobicContact CD1-CD1 4.42Å; I680-L707 HydrophobicContact CD1-CD1 4.16Å; I680-L707 HydrophobicContact CG1-CD1 4.01Å; I703-L707 WeakPolarHBondContact O-CG 3.41Å; I703-L707 PolarHBondContact O-N 2.82Å; Q704-L707 PolarHBondContact O-N 3.41Å; L707-I710 WeakPolarHBondContact O-CG2 3.44Å; L707-V824 HydrophobicContact CD2-CG1 3.9Å; L707-V824 HydrophobicContact CD2-CG2 4.25Å; L707-R829 WeakPolarHBondContact O-CA 3.39Å; L707-R829 VanDerWaalsContact O-CB 3.28Å; L707-R829 WeakPolarHBondContact O-CB 3.34Å; L707-L832 HydrophobicContact CB-CB 4.15Å; L707-L832 HydrophobicContact CB-CD2 4.1Å; L707-L832 HydrophobicContact CD1-CB 4.31Å
708	N	93.7	Very high	89.4	Confident	79 Å²	79	56.2 Å²	56.2	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-43	172.8	-86.3	-41.4	0	0	0	112.3	Q704 M706 R829 L832	Q704-N708 WeakPolarHBondContact O-CB 3.26Å; Q704-N708 PolarHBondContact O-N 3.44Å; Q704-N708 PolarHBondContact O-ND2 3.08Å; M706-N708 VanDerWaalsContact C-N 3.32Å; M706-N708 PolarHBondContact O-N 3.4Å; N708-R829 PolarHBondContact O-NH1 2.72Å; N708-L832 HydrophobicContact CB-CD2 4.46Å; N708-L832 WeakPolarHBondContact ND2-CD2 3.23Å; N708-L832 WeakPolarHBondContact OD1-CD2 3.26Å
709	N	92.6	Very high	90.1	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-90.6	-0.4	-175.3	-68.2	-67.1	0	0	0	114.2	T705 M706 D711 T712 S713	T705-N709 PolarHBondContact O-N 2.86Å; T705-N709 PolarHBondContact O-ND2 3.31Å; M706-N709 CarbonylContact O-C 3.58Å; M706-N709 PolarHBondContact O-N 2.85Å; M706-N709 VanDerWaalsContact O-N 3.09Å; N709-D711 PolarHBondContact O-N 3.16Å; N709-D711 VanDerWaalsContact O-N 3.09Å; N709-T712 PolarHBondContact O-N 3.06Å; N709-T712 PolarHBondContact O-OG1 3.3Å; N709-S713 PolarHBondContact O-N 2.99Å; N709-S713 PolarHBondContact O-OG 3.47Å
710	I	92	Very high	90.6	Very high	12 Å²	12	54.9 Å²	54.9	6%	0.062	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-28.3	-168.5	-160.3	173	0	0	0	114	M706 L707 T712 G714 F715 V824 R829	M706-I710 PolarHBondContact O-N 2.74Å; M706-I710 HydrophobicContact SD-CB 4.28Å; M706-I710 HydrophobicContact SD-CD1 3.88Å; M706-I710 HydrophobicContact SD-CG1 4.07Å; L707-I710 WeakPolarHBondContact O-CG2 3.44Å; I710-T712 VanDerWaalsContact C-N 3.29Å; I710-T712 PolarHBondContact O-N 3.49Å; I710-G714 CarbonylContact O-C 3.57Å; I710-G714 WeakPolarHBondContact O-CA 3.42Å; I710-G714 PolarHBondContact O-N 2.88Å; I710-F715 HydrophobicContact CD1-CD2 4.3Å; I710-V824 HydrophobicContact CD1-CG1 3.69Å; I710-R829 HydrophobicContact CG2-CB 4.46Å
711	D	88.8	Confident	90.9	Very high	105 Å²	105	56 Å²	56	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-68.3	-27.3	175.1	-61.7	12.8	0	0	0	112.6	N709 R829	N709-D711 PolarHBondContact O-N 3.16Å; N709-D711 VanDerWaalsContact O-N 3.09Å; D711-R829 IonicContact OD1-NH1 3.92Å; D711-R829 PolarHBondContact OD1-NH1 3.44Å; D711-R829 IonicContact OD2-CZ 3.65Å; D711-R829 IonicContact OD2-NH1 2.75Å; D711-R829 PolarHBondContact OD2-NH1 3.02Å; D711-R829 IonicContact OD2-NH2 3.43Å; D711-R829 PolarHBondContact OD2-NH2 2.9Å
712	T	90.3	Very high	91.2	Very high	122 Å²	122	48.9 Å²	48.9	75%	0.748	27%	0.267	S	S	*	.	H	α-helix	trans	-101	-35	-178.2	64.8	0	0	0	0	112.6	N709 I710	N709-T712 PolarHBondContact O-N 3.06Å; N709-T712 PolarHBondContact O-OG1 3.3Å; I710-T712 VanDerWaalsContact C-N 3.29Å; I710-T712 PolarHBondContact O-N 3.49Å
713	S	86.3	Confident	91.5	Very high	79 Å²	79	49.7 Å²	49.7	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-80.8	-22	173.7	68.2	0	0	0	0	113.5	N709	N709-S713 PolarHBondContact O-N 2.99Å; N709-S713 PolarHBondContact O-OG 3.47Å
714	G	84.9	Confident	91.7	Very high	28 Å²	28	50.4 Å²	50.4	29%	0.289	27%	0.27	S	S	.	.			trans	72.8	168.7	-163.9	0	0	0	0	0	113	I710	I710-G714 CarbonylContact O-C 3.57Å; I710-G714 WeakPolarHBondContact O-CA 3.42Å; I710-G714 PolarHBondContact O-N 2.88Å
715	F	87.8	Confident	91.6	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-74.4	125.3	170.3	176.8	-90.5	0	0	0	110.5	I710 E717 L739 R821 V824 A825	I710-F715 HydrophobicContact CD1-CD2 4.3Å; F715-E717 PolarHBondContact O-N 2.88Å; F715-L739 HydrophobicContact CE1-CB 4.34Å; F715-L739 HydrophobicContact CE1-CD2 3.96Å; F715-L739 HydrophobicContact CE1-CG 3.72Å; F715-L739 HydrophobicContact CZ-CD2 3.68Å; F715-L739 HydrophobicContact CZ-CG 3.97Å; F715-R821 HydrophobicContact CZ-CB 4.25Å; F715-V824 HydrophobicContact CD2-CG1 3.98Å; F715-V824 HydrophobicContact CE2-CB 4.21Å; F715-V824 HydrophobicContact CE2-CG1 3.9Å; F715-A825 HydrophobicContact CD1-CB 4.39Å; F715-A825 HydrophobicContact CD2-CB 3.71Å; F715-A825 HydrophobicContact CE1-CB 4.39Å; F715-A825 HydrophobicContact CE2-CB 3.71Å; F715-A825 HydrophobicContact CG-CB 4.08Å; F715-A825 HydrophobicContact CZ-CB 4.07Å
716	P	86.9	Confident	91.2	Very high	37 Å²	37	48.7 Å²	48.7	24%	0.24	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.9	116.3	177.7	-22.4	33.8	0	0	0	112.4	Q695 F697 W718	Q695-P716 VanDerWaalsContact NE2-CB 3.33Å; F697-P716 HydrophobicContact CE2-CG 4.34Å; P716-W718 PolarHBondContact O-N 2.89Å
717	E	89.9	Confident	90.7	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.364	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-56.4	131.6	-177	-166.9	-166.7	86.3	0	0	111.8	F715 R719 V738 L739 R740	F715-E717 PolarHBondContact O-N 2.88Å; E717-R719 IonicContact OE1-CZ 2.75Å; E717-R719 IonicContact OE1-NE 2.69Å; E717-R719 PolarHBondContact OE1-NE 2.88Å; E717-R719 IonicContact OE1-NH2 2.61Å; E717-R719 PolarHBondContact OE1-NH2 2.99Å; E717-R719 IonicContact OE2-NH2 3.46Å; E717-V738 HydrophobicContact CG-CG1 3.56Å; E717-L739 WeakPolarHBondContact CA-O 3.43Å; E717-L739 WeakPolarHBondContact CG-O 3.29Å; E717-R740 HydrophobicContact CG-CG 3.97Å; E717-R740 IonicContact OE2-CZ 2.75Å; E717-R740 IonicContact OE2-NE 3.97Å; E717-R740 PolarHBondContact OE2-NE 2.83Å; E717-R740 IonicContact OE2-NH2 2.77Å; E717-R740 PolarHBondContact OE2-NH2 3.47Å
718	W	91.1	Very high	89.7	Confident	33 Å²	33	52 Å²	52	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153	-179.5	179.7	65.5	0	0	0	112	P716 D720 V738 L739 H817 W818 R821	P716-W718 PolarHBondContact O-N 2.89Å; W718-D720 HydrophobicContact CH2-CB 3.75Å; W718-D720 HydrophobicContact CZ2-CB 3.6Å; W718-D720 HydrophobicContact CZ3-CB 4.44Å; W718-V738 WeakPolarHBondContact O-CA 3.44Å; W718-L739 HydrophobicContact CE3-CD2 4.47Å; W718-L739 PolarHBondContact N-O 3.26Å; W718-L739 PolarHBondContact O-N 3.16Å; W718-H817 HydrophobicContact CH2-CB 3.99Å; W718-H817 HydrophobicContact CZ2-CB 4.23Å; W718-W818 HydrophobicContact CE3-CE3 4.4Å; W718-W818 HydrophobicContact CE3-CH2 4.24Å; W718-W818 HydrophobicContact CE3-CZ2 4.37Å; W718-W818 HydrophobicContact CE3-CZ3 4.25Å; W718-W818 AromaticContact CH2-CD1 3.82Å; W718-W818 AromaticContact CH2-CD2 3.87Å; W718-W818 HydrophobicContact CH2-CD2 3.87Å; W718-W818 AromaticContact CH2-CE2 3.63Å; W718-W818 AromaticContact CH2-CG 3.96Å; W718-W818 HydrophobicContact CH2-CG 3.96Å; W718-W818 HydrophobicContact CH2-CZ2 4.12Å; W718-W818 AromaticContact CH2-NE1 3.59Å; W718-W818 AromaticContact CZ3-CD2 3.42Å; W718-W818 HydrophobicContact CZ3-CD2 3.42Å; W718-W818 VanDerWaalsContact CZ3-CD2 3.42Å; W718-W818 AromaticContact CZ3-CE2 3.45Å; W718-W818 VanDerWaalsContact CZ3-CE2 3.45Å; W718-W818 AromaticContact CZ3-CE3 3.64Å; W718-W818 HydrophobicContact CZ3-CE3 3.64Å; W718-W818 AromaticContact CZ3-CG 3.88Å; W718-W818 HydrophobicContact CZ3-CG 3.88Å; W718-W818 AromaticContact CZ3-CH2 3.92Å; W718-W818 HydrophobicContact CZ3-CH2 3.92Å; W718-W818 AromaticContact CZ3-CZ2 3.74Å; W718-W818 HydrophobicContact CZ3-CZ2 3.74Å; W718-W818 AromaticContact CZ3-CZ3 3.87Å; W718-W818 HydrophobicContact CZ3-CZ3 3.87Å; W718-W818 AromaticContact CZ3-NE1 3.91Å; W718-R821 VanDerWaalsContact CD1-NH1 3.25Å; W718-R821 VanDerWaalsContact CD2-CD 3.46Å
719	R	91.8	Very high	89.2	Confident	95 Å²	95	51 Å²	51	36%	0.358	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	130	-169.9	-53.5	-170.6	176.2	-153.8	1.2	111.6	E717 L736 C737 V738	E717-R719 IonicContact OE1-CZ 2.75Å; E717-R719 IonicContact OE1-NE 2.69Å; E717-R719 PolarHBondContact OE1-NE 2.88Å; E717-R719 IonicContact OE1-NH2 2.61Å; E717-R719 PolarHBondContact OE1-NH2 2.99Å; E717-R719 IonicContact OE2-NH2 3.46Å; R719-L736 HydrophobicContact CB-CD1 4.42Å; R719-C737 VanDerWaalsContact CA-O 3.27Å; R719-C737 WeakPolarHBondContact CA-O 3.42Å; R719-V738 HydrophobicContact CG-CB 4.32Å; R719-V738 HydrophobicContact CG-CG1 4.07Å; R719-V738 HydrophobicContact CG-CG2 3.95Å
720	D	94.1	Very high	88.7	Confident	37 Å²	37	56.4 Å²	56.4	20%	0.198	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	169.1	175.8	179.8	35.2	0	0	0	110.5	W718 C737 W818	W718-D720 HydrophobicContact CH2-CB 3.75Å; W718-D720 HydrophobicContact CZ2-CB 3.6Å; W718-D720 HydrophobicContact CZ3-CB 4.44Å; D720-C737 PolarHBondContact N-O 3.05Å; D720-C737 PolarHBondContact O-N 3.38Å; D720-W818 HydrophobicContact CB-CZ2 3.76Å; D720-W818 PolarHBondContact OD2-NE1 3.08Å
721	Y	94.6	Very high	88.6	Confident	60 Å²	60	59.4 Å²	59.4	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.6	-178.7	-76.7	-87.8	0	0	0	113.3	R734 R735 L736	Y721-R734 HydrophobicContact CD1-CG 4.19Å; Y721-R735 WeakPolarHBondContact CA-O 3.31Å; Y721-L736 HydrophobicContact CD1-CB 4.07Å; Y721-L736 HydrophobicContact CD2-CD1 4.15Å; Y721-L736 HydrophobicContact CE1-CB 3.74Å; Y721-L736 HydrophobicContact CE2-CB 4.48Å; Y721-L736 HydrophobicContact CE2-CD1 4.11Å
722	L	97	Very high	88.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150	168.7	-68.2	173.7	0	0	0	111.1	I724 R734 R735 C737 L744 F789 F807 A809 W818	L722-I724 HydrophobicContact CB-CG1 4.38Å; L722-R734 CarbonylContact O-C 3.56Å; L722-R734 WeakPolarHBondContact O-CA 3.4Å; L722-R735 PolarHBondContact N-O 3.49Å; L722-R735 PolarHBondContact O-N 3.19Å; L722-C737 HydrophobicContact CD1-CB 4.16Å; L722-C737 HydrophobicContact CG-CB 4.48Å; L722-L744 HydrophobicContact CD1-CD2 4.08Å; L722-F789 HydrophobicContact CD1-CE1 4.38Å; L722-F789 HydrophobicContact CD1-CZ 3.79Å; L722-F789 HydrophobicContact CD2-CE1 3.67Å; L722-F789 HydrophobicContact CD2-CZ 3.96Å; L722-F807 HydrophobicContact CD1-CD1 4.04Å; L722-A809 HydrophobicContact CD2-CB 4.45Å; L722-W818 HydrophobicContact CD1-CD2 3.99Å; L722-W818 HydrophobicContact CD1-CE3 4.03Å; L722-W818 HydrophobicContact CD1-CH2 3.92Å; L722-W818 HydrophobicContact CD1-CZ2 3.83Å; L722-W818 HydrophobicContact CD1-CZ3 4.02Å; L722-W818 HydrophobicContact CD2-CD2 3.87Å; L722-W818 HydrophobicContact CD2-CG 3.94Å; L722-W818 HydrophobicContact CD2-CZ2 4.26Å; L722-W818 HydrophobicContact CG-CD2 4.13Å; L722-W818 HydrophobicContact CG-CH2 4.34Å; L722-W818 HydrophobicContact CG-CZ2 3.74Å
723	F	96.4	Very high	89	Confident	39 Å²	39	52.3 Å²	52.3	17%	0.171	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.1	157.9	-57.8	-88.9	0	0	0	108.1	W732 S733 R734 P784 T785 F807 C808	F723-W732 HydrophobicContact CB-CE3 4.06Å; F723-S733 WeakPolarHBondContact CA-O 3.4Å; F723-R734 HydrophobicContact CD1-CB 3.65Å; F723-R734 HydrophobicContact CD1-CG 3.96Å; F723-R734 HydrophobicContact CE1-CB 3.72Å; F723-R734 HydrophobicContact CE1-CG 3.81Å; F723-R734 HydrophobicContact CG-CB 4.49Å; F723-R734 HydrophobicContact CG-CG 4.47Å; F723-R734 HydrophobicContact CZ-CG 4.2Å; F723-P784 HydrophobicContact CB-CG 4.09Å; F723-P784 HydrophobicContact CD1-CB 3.81Å; F723-P784 HydrophobicContact CD1-CG 3.68Å; F723-P784 HydrophobicContact CD2-CB 4.2Å; F723-P784 HydrophobicContact CE1-CB 3.88Å; F723-P784 HydrophobicContact CE1-CG 4.2Å; F723-P784 HydrophobicContact CE2-CB 4.28Å; F723-P784 HydrophobicContact CG-CB 3.97Å; F723-P784 HydrophobicContact CG-CG 3.88Å; F723-P784 HydrophobicContact CZ-CB 4.12Å; F723-T785 HydrophobicContact CD2-CG2 4.34Å; F723-T785 HydrophobicContact CE2-CG2 3.89Å; F723-F807 CarbonylContact O-C 3.53Å; F723-F807 VanDerWaalsContact O-CA 3.32Å; F723-F807 WeakPolarHBondContact O-CA 3.45Å; F723-C808 HydrophobicContact CB-CB 4.23Å; F723-C808 HydrophobicContact CD2-CB 4.38Å; F723-C808 PolarHBondContact N-O 2.91Å; F723-C808 PolarHBondContact O-N 2.83Å
724	I	95.1	Very high	89.4	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.077	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	-178.4	-52.3	160.7	0	0	0	108.9	L722 W732 S733 R735 T746 I762 F807	L722-I724 HydrophobicContact CB-CG1 4.38Å; I724-W732 WeakPolarHBondContact O-CA 3.49Å; I724-S733 PolarHBondContact N-O 3.42Å; I724-S733 PolarHBondContact O-N 2.83Å; I724-R735 HydrophobicContact CD1-CB 4.13Å; I724-R735 HydrophobicContact CD1-CG 4.28Å; I724-T746 HydrophobicContact CD1-CG2 4.39Å; I724-I762 HydrophobicContact CD1-CD1 3.69Å; I724-I762 HydrophobicContact CG1-CD1 4.45Å; I724-F807 HydrophobicContact CB-CD1 4.45Å; I724-F807 HydrophobicContact CG1-CD1 3.98Å; I724-F807 HydrophobicContact CG1-CE1 4.1Å; I724-F807 HydrophobicContact CG2-CD1 4.26Å; I724-F807 HydrophobicContact CG2-CE1 3.97Å
725	R	92.4	Very high	89.7	Confident	19 Å²	19	56.1 Å²	56.1	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.5	160.3	-176.9	-177.9	86.5	93.7	-3.9	107.7	D729 W732 P799 C806	R725-D729 VanDerWaalsContact CD-O 3.28Å; R725-D729 WeakPolarHBondContact CD-O 3.4Å; R725-D729 HydrophobicContact CG-CB 4.46Å; R725-D729 VanDerWaalsContact CG-O 3.26Å; R725-D729 WeakPolarHBondContact CG-O 3.49Å; R725-D729 PolarHBondContact NH1-O 2.88Å; R725-W732 HydrophobicContact CB-CD2 3.65Å; R725-W732 HydrophobicContact CB-CE3 3.71Å; R725-W732 HydrophobicContact CB-CG 4.28Å; R725-W732 HydrophobicContact CB-CH2 4.02Å; R725-W732 HydrophobicContact CB-CZ2 3.95Å; R725-W732 HydrophobicContact CB-CZ3 3.89Å; R725-P799 PolarHBondContact NH2-O 3.33Å; R725-C806 HydrophobicContact CB-CB 4.19Å; R725-C806 PolarHBondContact N-O 3.05Å; R725-C806 PolarHBondContact O-N 3.11Å
726	K	82.6	Confident	90	Very high	64 Å²	64	56 Å²	56	28%	0.278	28%	0.276	S	S	.	.			trans	-69.8	156.9	174.9	-51.7	-174.2	-160.2	156.1	0	110	W527 G728 D729	W527-K726 HydrophobicContact CE3-CD 4.31Å; W527-K726 HydrophobicContact CH2-CD 3.62Å; W527-K726 HydrophobicContact CZ2-CD 4.05Å; W527-K726 HydrophobicContact CZ3-CD 3.73Å; K726-G728 PolarHBondContact O-N 2.8Å; K726-D729 HydrophobicContact CB-CB 4.12Å; K726-D729 WeakPolarHBondContact CB-OD2 3.45Å; K726-D729 VanDerWaalsContact CD-OD2 3.26Å; K726-D729 WeakPolarHBondContact CD-OD2 3.1Å; K726-D729 WeakPolarHBondContact CG-OD2 3.38Å; K726-D729 IonicContact NZ-OD2 3.6Å; K726-D729 PolarHBondContact O-N 3.03Å; K726-D729 VanDerWaalsContact O-N 3.12Å
727	P	81.6	Confident	90.4	Very high	30 Å²	30	54.3 Å²	54.3	20%	0.195	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.1	167.8	-19.5	31.2	0	0	0	110.5	D729 T802 F805	P727-D729 VanDerWaalsContact C-N 3.25Å; P727-D729 PolarHBondContact O-N 2.7Å; P727-T802 VanDerWaalsContact CB-O 3.29Å; P727-T802 WeakPolarHBondContact CB-O 3.47Å; P727-T802 WeakPolarHBondContact CG-O 3.23Å; P727-F805 HydrophobicContact CG-CD1 3.75Å; P727-F805 HydrophobicContact CG-CD2 4.46Å; P727-F805 HydrophobicContact CG-CE1 3.75Å; P727-F805 HydrophobicContact CG-CE2 4.45Å; P727-F805 HydrophobicContact CG-CG 4.12Å; P727-F805 HydrophobicContact CG-CZ 4.11Å
728	G	74.7	Confident	90.6	Very high	53 Å²	53	50.6 Å²	50.6	55%	0.546	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-30.2	-173.1	0	0	0	0	0	116.5	K726	K726-G728 PolarHBondContact O-N 2.8Å
729	D	81.4	Confident	90.8	Very high	59 Å²	59	49 Å²	49	32%	0.316	24%	0.242	S	C	.	.			trans	-69.7	142.8	-177.9	-83.7	-18.4	0	0	0	112.4	R725 K726 P727	R725-D729 VanDerWaalsContact CD-O 3.28Å; R725-D729 WeakPolarHBondContact CD-O 3.4Å; R725-D729 HydrophobicContact CG-CB 4.46Å; R725-D729 VanDerWaalsContact CG-O 3.26Å; R725-D729 WeakPolarHBondContact CG-O 3.49Å; R725-D729 PolarHBondContact NH1-O 2.88Å; K726-D729 HydrophobicContact CB-CB 4.12Å; K726-D729 WeakPolarHBondContact CB-OD2 3.45Å; K726-D729 VanDerWaalsContact CD-OD2 3.26Å; K726-D729 WeakPolarHBondContact CD-OD2 3.1Å; K726-D729 WeakPolarHBondContact CG-OD2 3.38Å; K726-D729 IonicContact NZ-OD2 3.6Å; K726-D729 PolarHBondContact O-N 3.03Å; K726-D729 VanDerWaalsContact O-N 3.12Å; P727-D729 VanDerWaalsContact C-N 3.25Å; P727-D729 PolarHBondContact O-N 2.7Å
730	K	84	Confident	90.8	Very high	193 Å²	193	47.3 Å²	47.3	84%	0.839	24%	0.235	S	C	*	.	S	Bend	trans	-95.3	-2.3	173.3	-64.9	-179.8	-178.1	174.9	0	113.6
731	S	89.3	Confident	90.7	Very high	76 Å²	76	48.5 Å²	48.5	53%	0.531	25%	0.247	S	C	.	.	S	Bend	trans	-116.2	158	-175.4	56.7	0	0	0	0	111.5
732	W	94.6	Very high	90.5	Very high	38 Å²	38	47.4 Å²	47.4	14%	0.144	25%	0.248	C	C	.	.			trans	-115.7	132.7	178.1	-64.7	80.2	0	0	0	109.3	F723 I724 R725 W778 M781 R782 A783 P784 C806 C808	F723-W732 HydrophobicContact CB-CE3 4.06Å; I724-W732 WeakPolarHBondContact O-CA 3.49Å; R725-W732 HydrophobicContact CB-CD2 3.65Å; R725-W732 HydrophobicContact CB-CE3 3.71Å; R725-W732 HydrophobicContact CB-CG 4.28Å; R725-W732 HydrophobicContact CB-CH2 4.02Å; R725-W732 HydrophobicContact CB-CZ2 3.95Å; R725-W732 HydrophobicContact CB-CZ3 3.89Å; W732-W778 AromaticContact CH2-CE3 4Å; W732-W778 HydrophobicContact CH2-CE3 4Å; W732-W778 AromaticContact CH2-CZ3 3.9Å; W732-W778 HydrophobicContact CH2-CZ3 3.9Å; W732-M781 PolarHBondContact NE1-O 2.9Å; W732-R782 VanDerWaalsContact CD1-O 3.26Å; W732-R782 PolarHBondContact NE1-O 3.49Å; W732-A783 HydrophobicContact CH2-CB 4.31Å; W732-A783 HydrophobicContact CZ2-CB 3.8Å; W732-P784 HydrophobicContact CB-CG 3.75Å; W732-P784 HydrophobicContact CD2-CG 4.37Å; W732-P784 HydrophobicContact CG-CG 3.94Å; W732-C806 HydrophobicContact CH2-CB 3.83Å; W732-C806 HydrophobicContact CZ3-CB 4.3Å; W732-C808 HydrophobicContact CZ3-CB 4.26Å
733	S	92.8	Very high	90.4	Very high	40 Å²	40	47.4 Å²	47.4	28%	0.28	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124	174.8	70.2	0	0	0	0	110.8	F723 I724 R735	F723-S733 WeakPolarHBondContact CA-O 3.4Å; I724-S733 PolarHBondContact N-O 3.42Å; I724-S733 PolarHBondContact O-N 2.83Å; S733-R735 PolarHBondContact OG-NE 3.11Å
734	R	94.4	Very high	90.3	Very high	123 Å²	123	45.6 Å²	45.6	46%	0.464	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.4	173.1	-165.3	-176.8	-179.6	-131.7	-1.6	109.2	Y721 L722 F723	Y721-R734 HydrophobicContact CD1-CG 4.19Å; L722-R734 CarbonylContact O-C 3.56Å; L722-R734 WeakPolarHBondContact O-CA 3.4Å; F723-R734 HydrophobicContact CD1-CB 3.65Å; F723-R734 HydrophobicContact CD1-CG 3.96Å; F723-R734 HydrophobicContact CE1-CB 3.72Å; F723-R734 HydrophobicContact CE1-CG 3.81Å; F723-R734 HydrophobicContact CG-CB 4.49Å; F723-R734 HydrophobicContact CG-CG 4.47Å; F723-R734 HydrophobicContact CZ-CG 4.2Å
735	R	92	Very high	90.4	Very high	63 Å²	63	45.9 Å²	45.9	24%	0.238	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.9	177.2	-57.7	-171.3	177.6	-106.9	-9.1	110.8	Y721 L722 I724 S733 C737 T746 S747 N748	Y721-R735 WeakPolarHBondContact CA-O 3.31Å; L722-R735 PolarHBondContact N-O 3.49Å; L722-R735 PolarHBondContact O-N 3.19Å; I724-R735 HydrophobicContact CD1-CB 4.13Å; I724-R735 HydrophobicContact CD1-CG 4.28Å; S733-R735 PolarHBondContact OG-NE 3.11Å; R735-C737 PolarHBondContact O-N 3.01Å; R735-T746 VanDerWaalsContact CB-OG1 3.26Å; R735-T746 WeakPolarHBondContact CB-OG1 3.23Å; R735-T746 WeakPolarHBondContact CD-OG1 3.31Å; R735-S747 PolarHBondContact NH1-O 2.77Å; R735-N748 PolarHBondContact NH1-O 3.48Å
736	L	93.2	Very high	90.4	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.1	165.5	177.5	64.8	0	0	0	107.5	R719 Y721 T746 F754	R719-L736 HydrophobicContact CB-CD1 4.42Å; Y721-L736 HydrophobicContact CD1-CB 4.07Å; Y721-L736 HydrophobicContact CD2-CD1 4.15Å; Y721-L736 HydrophobicContact CE1-CB 3.74Å; Y721-L736 HydrophobicContact CE2-CB 4.48Å; Y721-L736 HydrophobicContact CE2-CD1 4.11Å; L736-T746 PolarHBondContact O-OG1 3.2Å; L736-T746 VanDerWaalsContact O-OG1 3.08Å; L736-F754 HydrophobicContact CB-CE2 3.95Å; L736-F754 HydrophobicContact CB-CZ 3.76Å; L736-F754 HydrophobicContact CD2-CD2 4.36Å; L736-F754 HydrophobicContact CD2-CE2 3.76Å; L736-F754 HydrophobicContact CD2-CZ 4.02Å; L736-F754 HydrophobicContact CG-CE2 3.73Å; L736-F754 HydrophobicContact CG-CZ 4.05Å; L736-F754 WeakPolarHBondContact O-CE2 3.27Å; L736-F754 WeakPolarHBondContact O-CZ 3.25Å
737	C	94.9	Very high	90.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	154.4	-177.9	-67.6	0	0	0	0	110.4	R719 D720 L722 R735 L744 Y745 W818	R719-C737 VanDerWaalsContact CA-O 3.27Å; R719-C737 WeakPolarHBondContact CA-O 3.42Å; D720-C737 PolarHBondContact N-O 3.05Å; D720-C737 PolarHBondContact O-N 3.38Å; L722-C737 HydrophobicContact CD1-CB 4.16Å; L722-C737 HydrophobicContact CG-CB 4.48Å; R735-C737 PolarHBondContact O-N 3.01Å; C737-L744 HydrophobicContact CB-CD1 4.06Å; C737-Y745 CarbonylContact C-O 3.58Å; C737-Y745 VanDerWaalsContact CA-O 3.27Å; C737-Y745 WeakPolarHBondContact CA-O 3.31Å; C737-W818 HydrophobicContact CB-CH2 3.77Å; C737-W818 HydrophobicContact CB-CZ2 4.12Å
738	V	94.2	Very high	90.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.2	179.9	-176.7	0	0	0	0	108.2	E717 W718 R719 R740 Y745 F754 L759	E717-V738 HydrophobicContact CG-CG1 3.56Å; W718-V738 WeakPolarHBondContact O-CA 3.44Å; R719-V738 HydrophobicContact CG-CB 4.32Å; R719-V738 HydrophobicContact CG-CG1 4.07Å; R719-V738 HydrophobicContact CG-CG2 3.95Å; V738-R740 HydrophobicContact CG1-CG 4.43Å; V738-Y745 PolarHBondContact N-O 3.18Å; V738-Y745 PolarHBondContact O-N 2.88Å; V738-F754 HydrophobicContact CG2-CD2 3.93Å; V738-F754 HydrophobicContact CG2-CE2 4.07Å; V738-L759 HydrophobicContact CG2-CD1 4.42Å; V738-L759 HydrophobicContact CG2-CD2 3.89Å
739	L	95.6	Very high	90.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.3	177.6	-178.7	59	0	0	0	110.3	F715 E717 W718 L744 L765 W818 R821 L822 A825	F715-L739 HydrophobicContact CE1-CB 4.34Å; F715-L739 HydrophobicContact CE1-CD2 3.96Å; F715-L739 HydrophobicContact CE1-CG 3.72Å; F715-L739 HydrophobicContact CZ-CD2 3.68Å; F715-L739 HydrophobicContact CZ-CG 3.97Å; E717-L739 WeakPolarHBondContact CA-O 3.43Å; E717-L739 WeakPolarHBondContact CG-O 3.29Å; W718-L739 HydrophobicContact CE3-CD2 4.47Å; W718-L739 PolarHBondContact N-O 3.26Å; W718-L739 PolarHBondContact O-N 3.16Å; L739-L744 HydrophobicContact CB-CD1 4.41Å; L739-L744 HydrophobicContact CD1-CD1 4.45Å; L739-L765 HydrophobicContact CD1-CD1 4.07Å; L739-W818 HydrophobicContact CB-CZ3 4.15Å; L739-W818 HydrophobicContact CD2-CZ3 4.47Å; L739-R821 HydrophobicContact CD2-CB 3.73Å; L739-L822 HydrophobicContact CD1-CD2 3.67Å; L739-L822 HydrophobicContact CD2-CD2 4.25Å; L739-L822 HydrophobicContact CD2-CG 4.34Å; L739-A825 HydrophobicContact CD1-CB 4.09Å; L739-A825 HydrophobicContact CD2-CB 4.34Å; L739-A825 HydrophobicContact CG-CB 4.3Å
740	R	92.9	Very high	89.5	Confident	59 Å²	59	51.5 Å²	51.5	22%	0.223	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	164.4	175.3	-65.3	172.2	174.6	162.6	-3.2	108.6	E717 V738 S742 G743 Y745	E717-R740 HydrophobicContact CG-CG 3.97Å; E717-R740 IonicContact OE2-CZ 2.75Å; E717-R740 IonicContact OE2-NE 3.97Å; E717-R740 PolarHBondContact OE2-NE 2.83Å; E717-R740 IonicContact OE2-NH2 2.77Å; E717-R740 PolarHBondContact OE2-NH2 3.47Å; V738-R740 HydrophobicContact CG1-CG 4.43Å; R740-S742 VanDerWaalsContact C-N 3.29Å; R740-S742 PolarHBondContact O-N 2.7Å; R740-G743 PolarHBondContact N-O 2.84Å; R740-G743 PolarHBondContact O-N 2.74Å; R740-G743 VanDerWaalsContact O-N 3.11Å; R740-G743 VanDerWaalsContact O-O 3.07Å; R740-Y745 HydrophobicContact CB-CD2 4.46Å; R740-Y745 HydrophobicContact CB-CE2 4.02Å; R740-Y745 HydrophobicContact CG-CD2 4.39Å; R740-Y745 HydrophobicContact CG-CE2 4.25Å
741	S	90.8	Very high	88.7	Confident	63 Å²	63	46.9 Å²	46.9	44%	0.441	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-49.8	171.8	47.2	0	0	0	0	112.6	G743	S741-G743 VanDerWaalsContact C-N 3.29Å; S741-G743 PolarHBondContact O-N 2.86Å
742	S	91.1	Very high	87.6	Confident	37 Å²	37	52.3 Å²	52.3	26%	0.259	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.2	-177.4	58.8	0	0	0	0	116.2	R740 Y745	R740-S742 VanDerWaalsContact C-N 3.29Å; R740-S742 PolarHBondContact O-N 2.7Å; S742-Y745 PolarHBondContact OG-OH 2.78Å
743	G	94	Very high	86.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	176.3	-178.3	0	0	0	0	0	117.6	R740 S741 Y745 L763	R740-G743 PolarHBondContact N-O 2.84Å; R740-G743 PolarHBondContact O-N 2.74Å; R740-G743 VanDerWaalsContact O-N 3.11Å; R740-G743 VanDerWaalsContact O-O 3.07Å; S741-G743 VanDerWaalsContact C-N 3.29Å; S741-G743 PolarHBondContact O-N 2.86Å; G743-Y745 WeakPolarHBondContact O-CD2 3.17Å; G743-Y745 WeakPolarHBondContact O-CE2 3.39Å; G743-L763 CarbonylContact C-O 3.53Å; G743-L763 WeakPolarHBondContact CA-O 3.11Å
744	L	95.7	Very high	85.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.5	167.8	-170.3	64.5	0	0	0	109.6	L722 C737 L739 I762 L763 F807 W818	L722-L744 HydrophobicContact CD1-CD2 4.08Å; C737-L744 HydrophobicContact CB-CD1 4.06Å; L739-L744 HydrophobicContact CB-CD1 4.41Å; L739-L744 HydrophobicContact CD1-CD1 4.45Å; L744-I762 HydrophobicContact CB-CG1 4.18Å; L744-I762 HydrophobicContact CD2-CD1 3.93Å; L744-I762 HydrophobicContact CD2-CG1 4.24Å; L744-I762 HydrophobicContact CG-CD1 4.04Å; L744-I762 HydrophobicContact CG-CG1 4.03Å; L744-I762 VanDerWaalsContact O-CG1 3.32Å; L744-I762 WeakPolarHBondContact O-CG1 3.34Å; L744-I762 PolarHBondContact O-N 3.03Å; L744-L763 HydrophobicContact CB-CB 3.84Å; L744-L763 PolarHBondContact N-O 3.18Å; L744-L763 PolarHBondContact O-N 2.84Å; L744-F807 HydrophobicContact CD2-CD1 4.32Å; L744-F807 HydrophobicContact CD2-CE1 3.71Å; L744-F807 HydrophobicContact CD2-CZ 4Å; L744-W818 HydrophobicContact CD1-CH2 3.8Å; L744-W818 HydrophobicContact CD1-CZ3 3.47Å; L744-W818 VanDerWaalsContact CD1-CZ3 3.47Å
745	Y	95.3	Very high	83.9	Confident	22 Å²	22	50.8 Å²	50.8	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.3	-177	-62.5	-107.1	0	0	0	111.4	C737 V738 R740 S742 G743 L759 I760 R761	C737-Y745 CarbonylContact C-O 3.58Å; C737-Y745 VanDerWaalsContact CA-O 3.27Å; C737-Y745 WeakPolarHBondContact CA-O 3.31Å; V738-Y745 PolarHBondContact N-O 3.18Å; V738-Y745 PolarHBondContact O-N 2.88Å; R740-Y745 HydrophobicContact CB-CD2 4.46Å; R740-Y745 HydrophobicContact CB-CE2 4.02Å; R740-Y745 HydrophobicContact CG-CD2 4.39Å; R740-Y745 HydrophobicContact CG-CE2 4.25Å; S742-Y745 PolarHBondContact OG-OH 2.78Å; G743-Y745 WeakPolarHBondContact O-CD2 3.17Å; G743-Y745 WeakPolarHBondContact O-CE2 3.39Å; Y745-L759 HydrophobicContact CD1-CB 4.3Å; Y745-I760 CarbonylContact C-O 3.57Å; Y745-I760 VanDerWaalsContact CA-O 3.23Å; Y745-I760 WeakPolarHBondContact CA-O 3.47Å; Y745-R761 HydrophobicContact CD1-CB 3.94Å; Y745-R761 HydrophobicContact CD1-CG 4.33Å; Y745-R761 HydrophobicContact CE1-CB 3.78Å; Y745-R761 HydrophobicContact CE1-CG 4.04Å; Y745-R761 HydrophobicContact CE2-CG 4.39Å; Y745-R761 PolarHBondContact OH-NE 2.97Å; Y745-R761 PolarHBondContact OH-NH2 3.41Å
746	T	93.4	Very high	83	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.9	169.6	-168.9	0	0	0	0	109.8	I724 R735 L736 I760 I762	I724-T746 HydrophobicContact CD1-CG2 4.39Å; R735-T746 VanDerWaalsContact CB-OG1 3.26Å; R735-T746 WeakPolarHBondContact CB-OG1 3.23Å; R735-T746 WeakPolarHBondContact CD-OG1 3.31Å; L736-T746 PolarHBondContact O-OG1 3.2Å; L736-T746 VanDerWaalsContact O-OG1 3.08Å; T746-I760 PolarHBondContact N-O 2.78Å; T746-I760 PolarHBondContact O-N 3.41Å; T746-I762 HydrophobicContact CG2-CD1 4.07Å; T746-I762 HydrophobicContact CG2-CG2 3.68Å
747	S	85.5	Confident	82.1	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	152	171.2	-167.4	0	0	0	0	112.4	R735 K749 D758	R735-S747 PolarHBondContact NH1-O 2.77Å; S747-K749 WeakPolarHBondContact CB-O 3.46Å; S747-K749 PolarHBondContact OG-N 2.8Å; S747-K749 PolarHBondContact OG-O 3.23Å; S747-D758 VanDerWaalsContact CA-O 3.22Å; S747-D758 WeakPolarHBondContact CA-O 3.3Å; S747-D758 WeakPolarHBondContact CB-O 3.28Å; S747-D758 PolarHBondContact OG-O 2.84Å
748	N	77.4	Confident	81.6	Confident	80 Å²	80	58.1 Å²	58.1	43%	0.428	32%	0.316	S	S	.	.	S	Bend	trans	-63.9	-43.8	164.8	49.6	8.7	0	0	0	111.2	R735 I760	R735-N748 PolarHBondContact NH1-O 3.48Å; N748-I760 HydrophobicContact CB-CD1 3.78Å
749	K	72.2	Confident	81.5	Confident	117 Å²	117	59.1 Å²	59.1	51%	0.509	32%	0.322	S	S	.	.	S	Bend	trans	-89.6	135.4	-177.1	-67.1	177.1	-179.6	-172	0	110.3	S747 K751	S747-K749 WeakPolarHBondContact CB-O 3.46Å; S747-K749 PolarHBondContact OG-N 2.8Å; S747-K749 PolarHBondContact OG-O 3.23Å; K749-K751 HydrophobicContact CB-CG 4.22Å; K749-K751 PolarHBondContact O-N 3.41Å
750	N	66.8	Low	81.3	Confident	134 Å²	134	60.7 Å²	60.7	72%	0.717	33%	0.33	S	S	*	.			trans	-78.9	53.8	-176.7	-163.2	13.2	0	0	0	112.6
751	K	66.2	Low	81.2	Confident	97 Å²	97	61.6 Å²	61.6	42%	0.422	33%	0.333	S	S	.	.			trans	-82.2	147.2	177.7	-63.6	178.3	-179.5	174.3	0	110.6	K749 S753 F754 D758	K749-K751 HydrophobicContact CB-CG 4.22Å; K749-K751 PolarHBondContact O-N 3.41Å; K751-S753 VanDerWaalsContact C-N 3.25Å; K751-S753 WeakPolarHBondContact CB-O 3.15Å; K751-S753 PolarHBondContact O-N 3.21Å; K751-F754 HydrophobicContact CB-CD1 4.45Å; K751-F754 WeakPolarHBondContact O-CE1 3.15Å; K751-D758 IonicContact NZ-OD2 3.88Å; K751-D758 PolarHBondContact NZ-OD2 2.98Å
752	K	66.5	Low	81.3	Confident	189 Å²	189	59.2 Å²	59.2	82%	0.822	32%	0.316	S	S	*	.	S	Bend	trans	-74.5	-12.4	171.5	-66.1	-177.5	179.2	179.1	0	113.9
753	S	66.8	Low	81.4	Confident	94 Å²	94	57.7 Å²	57.7	66%	0.657	30%	0.304	S	S	*	.	S	Bend	trans	-138.8	148.1	176.6	-177.3	0	0	0	0	109.5	K751	K751-S753 VanDerWaalsContact C-N 3.25Å; K751-S753 WeakPolarHBondContact CB-O 3.15Å; K751-S753 PolarHBondContact O-N 3.21Å
754	F	67.9	Low	81.4	Confident	19 Å²	19	60 Å²	60	8%	0.083	32%	0.318	C	S	.	.			trans	-123.8	128.9	-174.8	-57	-39.6	0	0	0	110.6	L736 V738 K751 L759	L736-F754 HydrophobicContact CB-CE2 3.95Å; L736-F754 HydrophobicContact CB-CZ 3.76Å; L736-F754 HydrophobicContact CD2-CD2 4.36Å; L736-F754 HydrophobicContact CD2-CE2 3.76Å; L736-F754 HydrophobicContact CD2-CZ 4.02Å; L736-F754 HydrophobicContact CG-CE2 3.73Å; L736-F754 HydrophobicContact CG-CZ 4.05Å; L736-F754 WeakPolarHBondContact O-CE2 3.27Å; L736-F754 WeakPolarHBondContact O-CZ 3.25Å; V738-F754 HydrophobicContact CG2-CD2 3.93Å; V738-F754 HydrophobicContact CG2-CE2 4.07Å; K751-F754 HydrophobicContact CB-CD1 4.45Å; K751-F754 WeakPolarHBondContact O-CE1 3.15Å; F754-L759 HydrophobicContact CB-CD2 4.16Å; F754-L759 HydrophobicContact CB-CG 4.42Å; F754-L759 HydrophobicContact CD2-CD2 3.6Å; F754-L759 HydrophobicContact CE2-CD2 4.09Å; F754-L759 HydrophobicContact CG-CD2 3.98Å
755	S	70.1	Confident	81.2	Confident	56 Å²	56	60 Å²	60	39%	0.392	32%	0.318	S	S	.	.			trans	-63.1	153.1	153.9	-179.8	0	0	0	0	109.2	T757 D758	S755-T757 VanDerWaalsContact CB-OG1 3.25Å; S755-T757 WeakPolarHBondContact CB-OG1 3.27Å; S755-T757 PolarHBondContact O-N 3.44Å; S755-T757 PolarHBondContact OG-N 3.25Å; S755-T757 PolarHBondContact OG-OG1 3.35Å; S755-D758 PolarHBondContact O-N 3.42Å; S755-D758 VanDerWaalsContact O-N 3.09Å
756	S	71.9	Confident	80.4	Confident	93 Å²	93	64.9 Å²	64.9	65%	0.65	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-58.5	-28.3	170.4	50	0	0	0	0	112.3	D758	S756-D758 VanDerWaalsContact C-N 3.34Å
757	T	75.5	Confident	79.8	Confident	114 Å²	114	65.6 Å²	65.6	70%	0.699	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-71.5	-21.5	175.8	56.9	0	0	0	0	114.4	S755 L759	S755-T757 VanDerWaalsContact CB-OG1 3.25Å; S755-T757 WeakPolarHBondContact CB-OG1 3.27Å; S755-T757 PolarHBondContact O-N 3.44Å; S755-T757 PolarHBondContact OG-N 3.25Å; S755-T757 PolarHBondContact OG-OG1 3.35Å; T757-L759 VanDerWaalsContact C-N 3.29Å; T757-L759 PolarHBondContact O-N 2.59Å
758	D	85	Confident	79.9	Confident	35 Å²	35	70.5 Å²	70.5	19%	0.187	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-90.4	8.1	-171	-71.5	23.2	0	0	0	112.3	S747 K751 S755 S756	S747-D758 VanDerWaalsContact CA-O 3.22Å; S747-D758 WeakPolarHBondContact CA-O 3.3Å; S747-D758 WeakPolarHBondContact CB-O 3.28Å; S747-D758 PolarHBondContact OG-O 2.84Å; K751-D758 IonicContact NZ-OD2 3.88Å; K751-D758 PolarHBondContact NZ-OD2 2.98Å; S755-D758 PolarHBondContact O-N 3.42Å; S755-D758 VanDerWaalsContact O-N 3.09Å; S756-D758 VanDerWaalsContact C-N 3.34Å
759	L	90.3	Very high	80.7	Confident	22 Å²	22	67.9 Å²	67.9	12%	0.115	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.5	-170.1	-69.3	173.4	0	0	0	112.8	V738 Y745 F754 T757	V738-L759 HydrophobicContact CG2-CD1 4.42Å; V738-L759 HydrophobicContact CG2-CD2 3.89Å; Y745-L759 HydrophobicContact CD1-CB 4.3Å; F754-L759 HydrophobicContact CB-CD2 4.16Å; F754-L759 HydrophobicContact CB-CG 4.42Å; F754-L759 HydrophobicContact CD2-CD2 3.6Å; F754-L759 HydrophobicContact CE2-CD2 4.09Å; F754-L759 HydrophobicContact CG-CD2 3.98Å; T757-L759 VanDerWaalsContact C-N 3.29Å; T757-L759 PolarHBondContact O-N 2.59Å
760	I	91.4	Very high	81.8	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.169	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.4	174.2	-61.2	178.3	0	0	0	109	V521 G525 Y745 T746 N748	V521-I760 HydrophobicContact CG2-CD1 4.44Å; G525-I760 WeakPolarHBondContact O-CG2 3.41Å; Y745-I760 CarbonylContact C-O 3.57Å; Y745-I760 VanDerWaalsContact CA-O 3.23Å; Y745-I760 WeakPolarHBondContact CA-O 3.47Å; T746-I760 PolarHBondContact N-O 2.78Å; T746-I760 PolarHBondContact O-N 3.41Å; N748-I760 HydrophobicContact CB-CD1 3.78Å
761	R	92.6	Very high	83.3	Confident	77 Å²	77	58 Å²	58	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.5	175.7	-166.1	-175.2	-70.2	163.9	-7.8	109.6	G525 C526 Y745 L763	G525-R761 PolarHBondContact O-N 2.6Å; C526-R761 WeakPolarHBondContact CA-O 3.06Å; Y745-R761 HydrophobicContact CD1-CB 3.94Å; Y745-R761 HydrophobicContact CD1-CG 4.33Å; Y745-R761 HydrophobicContact CE1-CB 3.78Å; Y745-R761 HydrophobicContact CE1-CG 4.04Å; Y745-R761 HydrophobicContact CE2-CG 4.39Å; Y745-R761 PolarHBondContact OH-NE 2.97Å; Y745-R761 PolarHBondContact OH-NH2 3.41Å; R761-L763 WeakPolarHBondContact CG-O 3.44Å
762	I	92.3	Very high	84.8	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-12.6	179.2	57	172.5	0	0	0	113.3	I724 L744 T746 F807	I724-I762 HydrophobicContact CD1-CD1 3.69Å; I724-I762 HydrophobicContact CG1-CD1 4.45Å; L744-I762 HydrophobicContact CB-CG1 4.18Å; L744-I762 HydrophobicContact CD2-CD1 3.93Å; L744-I762 HydrophobicContact CD2-CG1 4.24Å; L744-I762 HydrophobicContact CG-CD1 4.04Å; L744-I762 HydrophobicContact CG-CG1 4.03Å; L744-I762 VanDerWaalsContact O-CG1 3.32Å; L744-I762 WeakPolarHBondContact O-CG1 3.34Å; L744-I762 PolarHBondContact O-N 3.03Å; T746-I762 HydrophobicContact CG2-CD1 4.07Å; T746-I762 HydrophobicContact CG2-CG2 3.68Å; I762-F807 HydrophobicContact CD1-CE1 4.09Å
763	L	93.3	Very high	86.3	Confident	4 Å²	4	46 Å²	46	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.6	175.8	-166	76.3	0	0	0	110.2	G743 L744 R761 L765 L769 F791 F805	G743-L763 CarbonylContact C-O 3.53Å; G743-L763 WeakPolarHBondContact CA-O 3.11Å; L744-L763 HydrophobicContact CB-CB 3.84Å; L744-L763 PolarHBondContact N-O 3.18Å; L744-L763 PolarHBondContact O-N 2.84Å; R761-L763 WeakPolarHBondContact CG-O 3.44Å; L763-L765 HydrophobicContact CD2-CD2 3.89Å; L763-L769 HydrophobicContact CD1-CD1 3.6Å; L763-F791 HydrophobicContact CD1-CB 3.91Å; L763-F791 HydrophobicContact CD1-CD2 4.35Å; L763-F791 HydrophobicContact CD1-CG 4.06Å; L763-F791 HydrophobicContact CD2-CB 4.39Å; L763-F791 HydrophobicContact CD2-CD1 3.92Å; L763-F791 HydrophobicContact CD2-CD2 3.38Å; L763-F791 HydrophobicContact CD2-CE1 3.92Å; L763-F791 HydrophobicContact CD2-CE2 3.37Å; L763-F791 HydrophobicContact CD2-CG 3.64Å; L763-F791 HydrophobicContact CD2-CZ 3.65Å; L763-F791 HydrophobicContact CG-CG 4.48Å; L763-F805 HydrophobicContact CD1-CD2 4.25Å; L763-F805 HydrophobicContact CD1-CG 4.28Å
764	V	93	Very high	87.7	Confident	48 Å²	48	42.5 Å²	42.5	29%	0.291	25%	0.249	S	C	.	.			trans	-102.3	129.8	165.8	177.1	0	0	0	0	107.8	D766	V764-D766 HydrophobicContact CG1-CB 4.31Å
765	L	91.2	Very high	89	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-30.4	-177.1	-67.2	175.4	0	0	0	112.8	L739 L763 G767 F791 L822 A825 K826	L739-L765 HydrophobicContact CD1-CD1 4.07Å; L763-L765 HydrophobicContact CD2-CD2 3.89Å; L765-G767 PolarHBondContact O-N 2.86Å; L765-F791 HydrophobicContact CD2-CE1 4.08Å; L765-F791 HydrophobicContact CD2-CZ 3.9Å; L765-L822 HydrophobicContact CD2-CD2 4.16Å; L765-A825 HydrophobicContact CD1-CB 3.51Å; L765-K826 HydrophobicContact CB-CB 4.21Å; L765-K826 HydrophobicContact CB-CG 4.4Å; L765-K826 HydrophobicContact CD2-CB 4.46Å; L765-K826 PolarHBondContact O-NZ 2.95Å
766	D	80.1	Confident	90	Very high	124 Å²	124	41.8 Å²	41.8	66%	0.663	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	0.9	-177.6	-44.4	-50.5	0	0	0	114.2	V764	V764-D766 HydrophobicContact CG1-CB 4.31Å
767	G	79.2	Confident	90.7	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	24%	0.238	C	C	.	.	S	Bend	trans	-84.1	175.4	-179	0	0	0	0	0	114.8	L765 L769 K826	L765-G767 PolarHBondContact O-N 2.86Å; G767-L769 PolarHBondContact O-N 3.34Å; G767-K826 PolarHBondContact O-NZ 3.05Å
768	P	89.3	Confident	91.6	Very high	107 Å²	107	34.6 Å²	34.6	70%	0.695	21%	0.207	S	C	*	.	S	Bend	trans	-69.1	9.7	176	32.5	-38.2	0	0	0	113.8
769	L	93.3	Very high	91.7	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.126	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-79.7	122.4	177.5	-54.5	-179.4	0	0	0	109.7	L763 G767 F791 K792 F805 K826	L763-L769 HydrophobicContact CD1-CD1 3.6Å; G767-L769 PolarHBondContact O-N 3.34Å; L769-F791 HydrophobicContact CB-CB 4.28Å; L769-F791 HydrophobicContact CB-CD1 4.08Å; L769-F791 HydrophobicContact CD1-CB 4.44Å; L769-K792 WeakPolarHBondContact CA-O 3.41Å; L769-F805 HydrophobicContact CD1-CD2 4.31Å; L769-F805 HydrophobicContact CD1-CE2 4.15Å; L769-K826 VanDerWaalsContact O-CE 3.31Å; L769-K826 WeakPolarHBondContact O-CE 3.17Å; L769-K826 PolarHBondContact O-NZ 2.82Å
770	K	95.9	Very high	91.5	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	148.2	171.4	-63.3	-79.7	174.6	169.2	0	109.1	D651 Y772 F791 K792 Y794	D651-K770 IonicContact OD1-NZ 3.88Å; D651-K770 PolarHBondContact OD1-NZ 3.23Å; D651-K770 IonicContact OD2-NZ 2.68Å; K770-Y772 HydrophobicContact CB-CE2 3.79Å; K770-Y772 WeakPolarHBondContact O-CD2 3.27Å; K770-F791 WeakPolarHBondContact O-CA 3.42Å; K770-K792 PolarHBondContact N-O 2.99Å; K770-K792 PolarHBondContact O-N 3.4Å; K770-Y794 HydrophobicContact CB-CE1 4.49Å; K770-Y794 HydrophobicContact CD-CE1 4.27Å; K770-Y794 VanDerWaalsContact CE-OH 3.27Å; K770-Y794 WeakPolarHBondContact CE-OH 3.19Å; K770-Y794 HydrophobicContact CG-CD1 4.29Å; K770-Y794 HydrophobicContact CG-CE1 3.66Å
771	L	97.5	Very high	91.3	Very high	16 Å²	16	45 Å²	45	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.4	178.3	173.6	60.9	0	0	0	109.6	R645 F789 F791 V819 L822 R823	R645-L771 WeakPolarHBondContact CB-O 3.21Å; L771-F789 HydrophobicContact CD1-CB 4.25Å; L771-F789 HydrophobicContact CD1-CD2 3.82Å; L771-F789 HydrophobicContact CD1-CG 4.4Å; L771-F791 HydrophobicContact CB-CD1 4.35Å; L771-F791 HydrophobicContact CB-CE1 3.81Å; L771-F791 HydrophobicContact CB-CZ 4Å; L771-F791 HydrophobicContact CD1-CD2 4.19Å; L771-F791 HydrophobicContact CD1-CE1 4.33Å; L771-F791 HydrophobicContact CD1-CE2 3.68Å; L771-F791 HydrophobicContact CD1-CZ 3.76Å; L771-F791 HydrophobicContact CD2-CZ 4.45Å; L771-F791 HydrophobicContact CG-CZ 4.28Å; L771-V819 HydrophobicContact CD2-CG1 4.1Å; L771-L822 HydrophobicContact CD1-CD1 4.4Å; L771-L822 HydrophobicContact CD2-CB 3.82Å; L771-R823 HydrophobicContact CD2-CG 4Å
772	Y	97.9	Very high	91.3	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.1	177.3	-62.5	-102.9	0	0	0	110.6	E636 V638 I643 E644 R645 K770 F789 A790 K792	E636-Y772 VanDerWaalsContact CD-OH 3.27Å; E636-Y772 HydrophobicContact CG-CE1 4.12Å; E636-Y772 PolarHBondContact OE1-OH 3.11Å; E636-Y772 VanDerWaalsContact OE2-CE1 3.24Å; E636-Y772 WeakPolarHBondContact OE2-CE1 2.92Å; E636-Y772 VanDerWaalsContact OE2-CZ 3.3Å; E636-Y772 PolarHBondContact OE2-OH 3.2Å; V638-Y772 HydrophobicContact CG2-CD1 4.48Å; V638-Y772 HydrophobicContact CG2-CE1 3.98Å; I643-Y772 HydrophobicContact CD1-CD1 3.94Å; I643-Y772 HydrophobicContact CD1-CD2 4.2Å; I643-Y772 HydrophobicContact CD1-CG 3.75Å; I643-Y772 HydrophobicContact CG1-CD1 3.99Å; I643-Y772 HydrophobicContact CG1-CG 4.17Å; E644-Y772 CarbonylContact O-C 3.46Å; E644-Y772 WeakPolarHBondContact O-CA 3.24Å; E644-Y772 VanDerWaalsContact O-CB 3.31Å; E644-Y772 WeakPolarHBondContact O-CB 3.49Å; R645-Y772 HydrophobicContact CB-CD1 3.74Å; R645-Y772 HydrophobicContact CB-CE1 4.18Å; R645-Y772 HydrophobicContact CB-CG 4.15Å; R645-Y772 HydrophobicContact CG-CD1 3.69Å; R645-Y772 HydrophobicContact CG-CE1 3.59Å; R645-Y772 HydrophobicContact CG-CG 4.41Å; K770-Y772 HydrophobicContact CB-CE2 3.79Å; K770-Y772 WeakPolarHBondContact O-CD2 3.27Å; Y772-F789 CarbonylContact O-C 3.55Å; Y772-F789 WeakPolarHBondContact O-CA 3.42Å; Y772-F789 VanDerWaalsContact O-CB 3.28Å; Y772-F789 WeakPolarHBondContact O-CB 3.46Å; Y772-A790 PolarHBondContact N-O 3.45Å; Y772-A790 PolarHBondContact O-N 3.49Å; Y772-K792 HydrophobicContact CD2-CD 4.44Å; Y772-K792 HydrophobicContact CD2-CG 3.83Å; Y772-K792 HydrophobicContact CE2-CD 4.03Å; Y772-K792 HydrophobicContact CE2-CG 3.37Å; Y772-K792 VanDerWaalsContact CZ-CE 3.47Å; Y772-K792 PolarHBondContact OH-NZ 3.3Å
773	T	98.1	Very high	91.4	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	154.9	167.7	44.3	0	0	0	0	110.5	I643 E644 V819	I643-T773 CarbonylContact C-O 3.48Å; I643-T773 WeakPolarHBondContact CA-O 3.12Å; I643-T773 VanDerWaalsContact CB-O 3.27Å; I643-T773 WeakPolarHBondContact CB-O 3.28Å; E644-T773 PolarHBondContact N-O 2.82Å; E644-T773 PolarHBondContact O-N 3.39Å; E644-T773 PolarHBondContact O-OG1 2.89Å; T773-V819 HydrophobicContact CG2-CG1 4.45Å; T773-V819 HydrophobicContact CG2-CG2 3.83Å
774	T	96.5	Very high	91.6	Very high	22 Å²	22	54.3 Å²	54.3	14%	0.135	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.7	173.3	-173.8	0	0	0	0	112.2	K642 G776 W778 P786 G788	K642-T774 WeakPolarHBondContact O-CA 3.2Å; K642-T774 PolarHBondContact O-OG1 2.9Å; T774-G776 VanDerWaalsContact C-N 3.25Å; T774-G776 PolarHBondContact OG1-N 3.25Å; T774-G776 VanDerWaalsContact OG1-N 3.15Å; T774-G776 PolarHBondContact OG1-O 2.86Å; T774-W778 PolarHBondContact OG1-NE1 3.1Å; T774-P786 WeakPolarHBondContact CG2-O 3.41Å; T774-G788 WeakPolarHBondContact CG2-O 3.18Å; T774-G788 PolarHBondContact N-O 2.9Å
775	T	94.9	Very high	91.7	Very high	41 Å²	41	53 Å²	53	25%	0.252	30%	0.296	S	S	.	.			trans	-92.4	25.7	168.8	68.3	0	0	0	0	111.5	K642 E644	K642-T775 VanDerWaalsContact C-OG1 3.25Å; K642-T775 WeakPolarHBondContact CA-OG1 3.4Å; K642-T775 PolarHBondContact O-N 2.9Å; K642-T775 PolarHBondContact O-OG1 2.81Å; E644-T775 HydrophobicContact CB-CG2 3.89Å; E644-T775 HydrophobicContact CG-CG2 3.63Å
776	G	91.1	Very high	91.9	Very high	19 Å²	19	57.3 Å²	57.3	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	81.7	-162.8	-173.4	0	0	0	0	0	114	K642 T774 W778	K642-G776 VanDerWaalsContact CB-O 3.23Å; K642-G776 WeakPolarHBondContact CB-O 3.3Å; T774-G776 VanDerWaalsContact C-N 3.25Å; T774-G776 PolarHBondContact OG1-N 3.25Å; T774-G776 VanDerWaalsContact OG1-N 3.15Å; T774-G776 PolarHBondContact OG1-O 2.86Å; G776-W778 PolarHBondContact O-N 2.91Å
777	G	87.1	Confident	92.7	Very high	43 Å²	43	53.7 Å²	53.7	44%	0.443	30%	0.302	S	S	.	.			trans	70	-5.1	178.8	0	0	0	0	0	116.5	S779	G777-S779 PolarHBondContact O-N 2.64Å; G777-S779 VanDerWaalsContact O-N 3.13Å
778	W	92.9	Very high	93.6	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.045	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.3	-1.5	178.8	-80.6	21.5	0	0	0	115	L641 I643 W732 T774 G776 R780 M781 A783 A790 C806	L641-W778 PolarHBondContact O-NE1 3.38Å; I643-W778 HydrophobicContact CG2-CZ2 3.53Å; W732-W778 AromaticContact CH2-CE3 4Å; W732-W778 HydrophobicContact CH2-CE3 4Å; W732-W778 AromaticContact CH2-CZ3 3.9Å; W732-W778 HydrophobicContact CH2-CZ3 3.9Å; T774-W778 PolarHBondContact OG1-NE1 3.1Å; G776-W778 PolarHBondContact O-N 2.91Å; W778-R780 PolarHBondContact O-N 3.12Å; W778-M781 HydrophobicContact CB-CE 4.26Å; W778-M781 HydrophobicContact CD2-CE 3.41Å; W778-M781 VanDerWaalsContact CD2-CE 3.41Å; W778-M781 VanDerWaalsContact CE2-CE 3.49Å; W778-M781 HydrophobicContact CE3-CE 3.94Å; W778-M781 HydrophobicContact CG-CE 3.58Å; W778-M781 HydrophobicContact CZ2-CE 4.05Å; W778-M781 HydrophobicContact CZ3-CE 4.47Å; W778-M781 WeakPolarHBondContact O-CA 3.13Å; W778-M781 WeakPolarHBondContact O-CB 3.36Å; W778-M781 PolarHBondContact O-N 2.65Å; W778-A783 HydrophobicContact CB-CB 3.87Å; W778-A783 HydrophobicContact CE3-CB 4.5Å; W778-A783 WeakPolarHBondContact O-CB 3.49Å; W778-A783 PolarHBondContact O-N 3.46Å; W778-A790 HydrophobicContact CH2-CB 4.09Å; W778-A790 HydrophobicContact CZ2-CB 4.27Å; W778-C806 HydrophobicContact CH2-CB 4.04Å; W778-C806 HydrophobicContact CZ3-CB 4.22Å
779	S	88.4	Confident	94	Very high	95 Å²	95	47.5 Å²	47.5	66%	0.664	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-54.2	-36.1	169.3	53.3	0	0	0	0	112.4	G777 M781 R782	G777-S779 PolarHBondContact O-N 2.64Å; G777-S779 VanDerWaalsContact O-N 3.13Å; S779-M781 PolarHBondContact O-N 2.98Å; S779-R782 WeakPolarHBondContact O-CA 3.46Å; S779-R782 PolarHBondContact O-N 2.95Å
780	R	85.6	Confident	94.1	Very high	176 Å²	176	46.4 Å²	46.4	66%	0.664	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61.4	-27	174	-61.4	-164	-67	-174.8	2.1	113.1	E23 W778 R782	E23-R780 IonicContact OE2-NH1 3.46Å; W778-R780 PolarHBondContact O-N 3.12Å; R780-R782 VanDerWaalsContact C-N 3.33Å
781	M	87.8	Confident	94.1	Very high	39 Å²	39	45 Å²	45	19%	0.192	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-89.5	9.1	173	-59.8	-160.8	-61.7	0	0	113.4	W732 W778 S779 A783 P799	W732-M781 PolarHBondContact NE1-O 2.9Å; W778-M781 HydrophobicContact CB-CE 4.26Å; W778-M781 HydrophobicContact CD2-CE 3.41Å; W778-M781 VanDerWaalsContact CD2-CE 3.41Å; W778-M781 VanDerWaalsContact CE2-CE 3.49Å; W778-M781 HydrophobicContact CE3-CE 3.94Å; W778-M781 HydrophobicContact CG-CE 3.58Å; W778-M781 HydrophobicContact CZ2-CE 4.05Å; W778-M781 HydrophobicContact CZ3-CE 4.47Å; W778-M781 WeakPolarHBondContact O-CA 3.13Å; W778-M781 WeakPolarHBondContact O-CB 3.36Å; W778-M781 PolarHBondContact O-N 2.65Å; S779-M781 PolarHBondContact O-N 2.98Å; M781-A783 PolarHBondContact O-N 2.89Å; M781-P799 HydrophobicContact SD-CB 4.05Å
782	R	92.9	Very high	94	Very high	206 Å²	206	44.3 Å²	44.3	78%	0.777	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	-175.2	-55	-178	177.8	-164.2	-2.6	113.5	W732 S779 R780	W732-R782 VanDerWaalsContact CD1-O 3.26Å; W732-R782 PolarHBondContact NE1-O 3.49Å; S779-R782 WeakPolarHBondContact O-CA 3.46Å; S779-R782 PolarHBondContact O-N 2.95Å; R780-R782 VanDerWaalsContact C-N 3.33Å
783	A	94.6	Very high	93.8	Very high	20 Å²	20	45 Å²	45	17%	0.165	25%	0.247	C	C	.	.			trans	-58.4	127.4	177.1	0	0	0	0	0	111.2	W732 W778 M781 T785	W732-A783 HydrophobicContact CH2-CB 4.31Å; W732-A783 HydrophobicContact CZ2-CB 3.8Å; W778-A783 HydrophobicContact CB-CB 3.87Å; W778-A783 HydrophobicContact CE3-CB 4.5Å; W778-A783 WeakPolarHBondContact O-CB 3.49Å; W778-A783 PolarHBondContact O-N 3.46Å; M781-A783 PolarHBondContact O-N 2.89Å; A783-T785 PolarHBondContact O-N 2.85Å
784	P	95.8	Very high	93.6	Very high	64 Å²	64	44.8 Å²	44.8	42%	0.416	24%	0.243	S	C	.	.	S	Bend	trans	-65.4	-24	-176.4	-26.7	36.7	0	0	0	114.8	F723 W732	F723-P784 HydrophobicContact CB-CG 4.09Å; F723-P784 HydrophobicContact CD1-CB 3.81Å; F723-P784 HydrophobicContact CD1-CG 3.68Å; F723-P784 HydrophobicContact CD2-CB 4.2Å; F723-P784 HydrophobicContact CE1-CB 3.88Å; F723-P784 HydrophobicContact CE1-CG 4.2Å; F723-P784 HydrophobicContact CE2-CB 4.28Å; F723-P784 HydrophobicContact CG-CB 3.97Å; F723-P784 HydrophobicContact CG-CG 3.88Å; F723-P784 HydrophobicContact CZ-CB 4.12Å; W732-P784 HydrophobicContact CB-CG 3.75Å; W732-P784 HydrophobicContact CD2-CG 4.37Å; W732-P784 HydrophobicContact CG-CG 3.94Å
785	T	95.9	Very high	93.4	Very high	21 Å²	21	47.4 Å²	47.4	13%	0.129	26%	0.262	C	S	.	.	S	Bend	trans	-141.5	156.5	175.6	79.6	0	0	0	0	109	F723 A783 H787 C808 A809	F723-T785 HydrophobicContact CD2-CG2 4.34Å; F723-T785 HydrophobicContact CE2-CG2 3.89Å; A783-T785 PolarHBondContact O-N 2.85Å; T785-H787 PolarHBondContact O-N 2.92Å; T785-H787 PolarHBondContact OG1-N 2.86Å; T785-C808 PolarHBondContact O-SG 3.06Å; T785-A809 VanDerWaalsContact CG2-O 3.31Å; T785-A809 WeakPolarHBondContact CG2-O 3.19Å; T785-A809 PolarHBondContact OG1-O 2.83Å
786	P	95.6	Very high	93.3	Very high	91 Å²	91	45.8 Å²	45.8	59%	0.591	25%	0.253	S	S	*	.	S	Bend	trans	-73.4	-5	172.6	32.3	-36.3	0	0	0	112.9	T774 G788	T774-P786 WeakPolarHBondContact CG2-O 3.41Å; P786-G788 PolarHBondContact O-N 2.8Å
787	H	97.1	Very high	93.3	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.222	25%	0.251	C	S	.	.			trans	-88	61.2	-170.9	-54.2	-63.5	0	0	0	111.2	T785 C808 A809 D811 L815	T785-H787 PolarHBondContact O-N 2.92Å; T785-H787 PolarHBondContact OG1-N 2.86Å; H787-C808 WeakPolarHBondContact O-CA 3.38Å; H787-A809 HydrophobicContact CB-CB 4.42Å; H787-A809 PolarHBondContact O-N 3.26Å; H787-D811 VanDerWaalsContact CD2-CA 3.41Å; H787-D811 WeakPolarHBondContact CD2-CA 3.41Å; H787-L815 HydrophobicContact CB-CB 4.05Å; H787-L815 HydrophobicContact CB-CD2 4.07Å
788	G	97	Very high	93.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	149.3	-171.8	0	0	0	0	0	115.5	T774 P786 F807	T774-G788 WeakPolarHBondContact CG2-O 3.18Å; T774-G788 PolarHBondContact N-O 2.9Å; P786-G788 PolarHBondContact O-N 2.8Å; G788-F807 CarbonylContact C-O 3.58Å; G788-F807 VanDerWaalsContact CA-O 3.24Å; G788-F807 WeakPolarHBondContact CA-O 3.21Å
789	F	97.6	Very high	92.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.8	164.8	67.2	-91.5	0	0	0	111.2	L722 L771 Y772 F791 F807 L815 W818 V819 L822	L722-F789 HydrophobicContact CD1-CE1 4.38Å; L722-F789 HydrophobicContact CD1-CZ 3.79Å; L722-F789 HydrophobicContact CD2-CE1 3.67Å; L722-F789 HydrophobicContact CD2-CZ 3.96Å; L771-F789 HydrophobicContact CD1-CB 4.25Å; L771-F789 HydrophobicContact CD1-CD2 3.82Å; L771-F789 HydrophobicContact CD1-CG 4.4Å; Y772-F789 CarbonylContact O-C 3.55Å; Y772-F789 WeakPolarHBondContact O-CA 3.42Å; Y772-F789 VanDerWaalsContact O-CB 3.28Å; Y772-F789 WeakPolarHBondContact O-CB 3.46Å; F789-F791 HydrophobicContact CD2-CD2 4.47Å; F789-F791 HydrophobicContact CD2-CE2 4.27Å; F789-F791 HydrophobicContact CE2-CD2 4.5Å; F789-F791 HydrophobicContact CE2-CE2 4.13Å; F789-F807 HydrophobicContact CD1-CB 4.02Å; F789-F807 HydrophobicContact CD2-CB 3.94Å; F789-F807 AromaticContact CD2-CD2 3.87Å; F789-F807 HydrophobicContact CD2-CD2 3.87Å; F789-F807 HydrophobicContact CD2-CG 4.21Å; F789-F807 HydrophobicContact CE1-CB 3.71Å; F789-F807 HydrophobicContact CE2-CB 3.59Å; F789-F807 AromaticContact CE2-CD2 3.52Å; F789-F807 HydrophobicContact CE2-CD2 3.52Å; F789-F807 HydrophobicContact CE2-CE2 4.34Å; F789-F807 AromaticContact CE2-CG 3.62Å; F789-F807 HydrophobicContact CE2-CG 3.62Å; F789-F807 HydrophobicContact CG-CB 4.15Å; F789-F807 HydrophobicContact CZ-CB 3.48Å; F789-F807 VanDerWaalsContact CZ-CB 3.48Å; F789-F807 HydrophobicContact CZ-CD1 4.48Å; F789-F807 HydrophobicContact CZ-CD2 4.21Å; F789-F807 AromaticContact CZ-CG 3.83Å; F789-F807 HydrophobicContact CZ-CG 3.83Å; F789-F807 PolarHBondContact N-O 2.73Å; F789-F807 PolarHBondContact O-N 3.02Å; F789-F807 VanDerWaalsContact O-O 3.06Å; F789-L815 HydrophobicContact CB-CD1 4.09Å; F789-L815 HydrophobicContact CD1-CD1 3.71Å; F789-L815 HydrophobicContact CG-CD1 4.37Å; F789-W818 HydrophobicContact CE1-CB 3.9Å; F789-W818 HydrophobicContact CE1-CG 4.14Å; F789-W818 HydrophobicContact CZ-CB 4.31Å; F789-W818 HydrophobicContact CZ-CD2 4.47Å; F789-W818 HydrophobicContact CZ-CE3 4.41Å; F789-W818 HydrophobicContact CZ-CG 4.44Å; F789-V819 HydrophobicContact CB-CG2 4.33Å; F789-L822 HydrophobicContact CD2-CD1 4.05Å; F789-L822 HydrophobicContact CE2-CD1 3.44Å; F789-L822 VanDerWaalsContact CE2-CD1 3.44Å; F789-L822 HydrophobicContact CZ-CD1 3.74Å
790	A	96.1	Very high	92.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154	-176.7	0	0	0	0	0	112.5	I643 Y772 W778 F805	I643-A790 HydrophobicContact CD1-CB 4.38Å; I643-A790 HydrophobicContact CG2-CB 4.4Å; Y772-A790 PolarHBondContact N-O 3.45Å; Y772-A790 PolarHBondContact O-N 3.49Å; W778-A790 HydrophobicContact CH2-CB 4.09Å; W778-A790 HydrophobicContact CZ2-CB 4.27Å; A790-F805 CarbonylContact C-O 3.53Å; A790-F805 WeakPolarHBondContact CA-O 3.4Å
791	F	95.9	Very high	92.4	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.6	166.1	-81.3	-89.4	0	0	0	110	L763 L765 L769 K770 L771 F789 F805 F807 L822	L763-F791 HydrophobicContact CD1-CB 3.91Å; L763-F791 HydrophobicContact CD1-CD2 4.35Å; L763-F791 HydrophobicContact CD1-CG 4.06Å; L763-F791 HydrophobicContact CD2-CB 4.39Å; L763-F791 HydrophobicContact CD2-CD1 3.92Å; L763-F791 HydrophobicContact CD2-CD2 3.38Å; L763-F791 HydrophobicContact CD2-CE1 3.92Å; L763-F791 HydrophobicContact CD2-CE2 3.37Å; L763-F791 HydrophobicContact CD2-CG 3.64Å; L763-F791 HydrophobicContact CD2-CZ 3.65Å; L763-F791 HydrophobicContact CG-CG 4.48Å; L765-F791 HydrophobicContact CD2-CE1 4.08Å; L765-F791 HydrophobicContact CD2-CZ 3.9Å; L769-F791 HydrophobicContact CB-CB 4.28Å; L769-F791 HydrophobicContact CB-CD1 4.08Å; L769-F791 HydrophobicContact CD1-CB 4.44Å; K770-F791 WeakPolarHBondContact O-CA 3.42Å; L771-F791 HydrophobicContact CB-CD1 4.35Å; L771-F791 HydrophobicContact CB-CE1 3.81Å; L771-F791 HydrophobicContact CB-CZ 4Å; L771-F791 HydrophobicContact CD1-CD2 4.19Å; L771-F791 HydrophobicContact CD1-CE1 4.33Å; L771-F791 HydrophobicContact CD1-CE2 3.68Å; L771-F791 HydrophobicContact CD1-CZ 3.76Å; L771-F791 HydrophobicContact CD2-CZ 4.45Å; L771-F791 HydrophobicContact CG-CZ 4.28Å; F789-F791 HydrophobicContact CD2-CD2 4.47Å; F789-F791 HydrophobicContact CD2-CE2 4.27Å; F789-F791 HydrophobicContact CE2-CD2 4.5Å; F789-F791 HydrophobicContact CE2-CE2 4.13Å; F791-F805 HydrophobicContact CB-CB 4.4Å; F791-F805 PolarHBondContact N-O 3.26Å; F791-F805 PolarHBondContact O-N 3.24Å; F791-F807 HydrophobicContact CD2-CD2 4.5Å; F791-F807 HydrophobicContact CD2-CE2 4.08Å; F791-L822 HydrophobicContact CE2-CD1 3.99Å; F791-L822 HydrophobicContact CE2-CD2 4.17Å; F791-L822 HydrophobicContact CZ-CB 4.34Å; F791-L822 HydrophobicContact CZ-CD1 4.29Å; F791-L822 HydrophobicContact CZ-CD2 4.04Å; F791-L822 HydrophobicContact CZ-CG 4.47Å
792	K	94.5	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159	177.5	72.1	172.8	-162.7	75.3	0	112	L641 I643 L769 K770 Y772 A796 V804	L641-K792 HydrophobicContact CD1-CD 3.51Å; I643-K792 HydrophobicContact CD1-CD 3.85Å; L769-K792 WeakPolarHBondContact CA-O 3.41Å; K770-K792 PolarHBondContact N-O 2.99Å; K770-K792 PolarHBondContact O-N 3.4Å; Y772-K792 HydrophobicContact CD2-CD 4.44Å; Y772-K792 HydrophobicContact CD2-CG 3.83Å; Y772-K792 HydrophobicContact CE2-CD 4.03Å; Y772-K792 HydrophobicContact CE2-CG 3.37Å; Y772-K792 VanDerWaalsContact CZ-CE 3.47Å; Y772-K792 PolarHBondContact OH-NZ 3.3Å; K792-A796 HydrophobicContact CB-CB 4.21Å; K792-A796 HydrophobicContact CD-CB 4.47Å; K792-A796 WeakPolarHBondContact CD-O 3.47Å; K792-A796 WeakPolarHBondContact CE-O 3.5Å; K792-A796 PolarHBondContact NZ-O 2.99Å; K792-V804 HydrophobicContact CB-CG2 3.93Å
793	P	94.1	Very high	92.1	Very high	17 Å²	17	37.4 Å²	37.4	11%	0.11	23%	0.226	C	C	.	.			trans	-75	166.3	164.2	33.2	-35	0	0	0	111.6	S795 A796 H803	P793-S795 VanDerWaalsContact C-N 3.26Å; P793-S795 PolarHBondContact O-N 3.37Å; P793-A796 HydrophobicContact CG-CB 3.79Å; P793-A796 PolarHBondContact O-N 2.9Å; P793-H803 HydrophobicContact CG-CB 4.15Å
794	Y	94.5	Very high	92	Very high	26 Å²	26	36.5 Å²	36.5	10%	0.102	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-32.6	175	-63.8	-41.7	0	0	0	113.5	R645 D651 D655 C656 K770 A796 Q797	R645-Y794 PolarHBondContact NH2-OH 2.81Å; D651-Y794 PolarHBondContact OD1-OH 3.37Å; D655-Y794 HydrophobicContact CB-CE2 4.34Å; C656-Y794 HydrophobicContact CB-CD1 4.22Å; C656-Y794 HydrophobicContact CB-CD2 4.34Å; C656-Y794 HydrophobicContact CB-CE1 3.92Å; C656-Y794 HydrophobicContact CB-CE2 4.03Å; C656-Y794 HydrophobicContact CB-CG 4.42Å; K770-Y794 HydrophobicContact CB-CE1 4.49Å; K770-Y794 HydrophobicContact CD-CE1 4.27Å; K770-Y794 VanDerWaalsContact CE-OH 3.27Å; K770-Y794 WeakPolarHBondContact CE-OH 3.19Å; K770-Y794 HydrophobicContact CG-CD1 4.29Å; K770-Y794 HydrophobicContact CG-CE1 3.66Å; Y794-A796 PolarHBondContact O-N 3.22Å; Y794-Q797 PolarHBondContact O-NE2 3.23Å
795	S	92.9	Very high	91.9	Very high	76 Å²	76	34.3 Å²	34.3	53%	0.531	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.5	-179.9	53.7	0	0	0	0	114.7	S659 P793	S659-S795 WeakPolarHBondContact O-CA 3.29Å; P793-S795 VanDerWaalsContact C-N 3.26Å; P793-S795 PolarHBondContact O-N 3.37Å
796	A	92.2	Very high	91.9	Very high	8 Å²	8	33.3 Å²	33.3	7%	0.066	20%	0.197	C	C	.	.			trans	-81.7	125.6	178.6	0	0	0	0	0	111.1	K792 P793 Y794 V804	K792-A796 HydrophobicContact CB-CB 4.21Å; K792-A796 HydrophobicContact CD-CB 4.47Å; K792-A796 WeakPolarHBondContact CD-O 3.47Å; K792-A796 WeakPolarHBondContact CE-O 3.5Å; K792-A796 PolarHBondContact NZ-O 2.99Å; P793-A796 HydrophobicContact CG-CB 3.79Å; P793-A796 PolarHBondContact O-N 2.9Å; Y794-A796 PolarHBondContact O-N 3.22Å; A796-V804 HydrophobicContact CB-CG2 3.87Å
797	Q	90.3	Very high	91.9	Very high	30 Å²	30	29.1 Å²	29.1	14%	0.14	17%	0.169	C	C	.	.			trans	-133.4	1.3	-175.4	-57.2	-59.6	-20.4	0	0	113.9	V638 A640 P661 N666 Y794	V638-Q797 VanDerWaalsContact CG1-OE1 3.23Å; A640-Q797 WeakPolarHBondContact CB-O 3.44Å; P661-Q797 HydrophobicContact CG-CG 3.93Å; N666-Q797 VanDerWaalsContact ND2-CD 3.27Å; N666-Q797 PolarHBondContact ND2-NE2 3.47Å; N666-Q797 VanDerWaalsContact ND2-NE2 3.1Å; N666-Q797 PolarHBondContact ND2-OE1 3.06Å; N666-Q797 PolarHBondContact OD1-OE1 3.18Å; Y794-Q797 PolarHBondContact O-NE2 3.23Å
798	D	86.8	Confident	91.9	Very high	82 Å²	82	26.9 Å²	26.9	44%	0.439	16%	0.159	S	C	.	.			trans	-119.8	128.7	-175.1	175.3	1.3	0	0	0	110.6	S800 S801	D798-S800 PolarHBondContact O-N 3.47Å; D798-S800 VanDerWaalsContact O-N 3.16Å; D798-S800 WeakPolarHBondContact OD1-CB 3.09Å; D798-S800 PolarHBondContact OD1-N 3.29Å; D798-S800 PolarHBondContact OD1-OG 2.68Å; D798-S800 WeakPolarHBondContact OD2-CB 3.36Å; D798-S800 PolarHBondContact OD2-OG 3.26Å; D798-S801 VanDerWaalsContact O-CB 3.24Å; D798-S801 WeakPolarHBondContact O-CB 3.27Å; D798-S801 PolarHBondContact O-N 2.73Å
799	P	80.3	Confident	92	Very high	44 Å²	44	26.9 Å²	26.9	29%	0.286	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12	174.7	24.7	-34.4	0	0	0	115.3	L641 R725 M781	L641-P799 VanDerWaalsContact CD2-CA 3.48Å; L641-P799 HydrophobicContact CD2-CB 3.76Å; L641-P799 HydrophobicContact CD2-CG 4.32Å; L641-P799 VanDerWaalsContact CD2-N 3.35Å; R725-P799 PolarHBondContact NH2-O 3.33Å; M781-P799 HydrophobicContact SD-CB 4.05Å
800	S	82.2	Confident	91.9	Very high	74 Å²	74	29.1 Å²	29.1	52%	0.517	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22	171.9	90.8	0	0	0	0	113.4	D798	D798-S800 PolarHBondContact O-N 3.47Å; D798-S800 VanDerWaalsContact O-N 3.16Å; D798-S800 WeakPolarHBondContact OD1-CB 3.09Å; D798-S800 PolarHBondContact OD1-N 3.29Å; D798-S800 PolarHBondContact OD1-OG 2.68Å; D798-S800 WeakPolarHBondContact OD2-CB 3.36Å; D798-S800 PolarHBondContact OD2-OG 3.26Å
801	S	86.3	Confident	91.9	Very high	26 Å²	26	32.4 Å²	32.4	18%	0.182	19%	0.19	C	C	.	.			trans	-61.3	135.3	-167.7	-177.8	0	0	0	0	113.4	D798 H803 V804	D798-S801 VanDerWaalsContact O-CB 3.24Å; D798-S801 WeakPolarHBondContact O-CB 3.27Å; D798-S801 PolarHBondContact O-N 2.73Å; S801-H803 PolarHBondContact O-N 2.75Å; S801-H803 PolarHBondContact OG-N 2.77Å; S801-V804 PolarHBondContact O-N 3.03Å; S801-V804 VanDerWaalsContact O-N 3.08Å
802	T	87.3	Confident	91.9	Very high	81 Å²	81	37.5 Å²	37.5	50%	0.497	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.6	173.3	47.4	0	0	0	0	114.2	P727	P727-T802 VanDerWaalsContact CB-O 3.29Å; P727-T802 WeakPolarHBondContact CB-O 3.47Å; P727-T802 WeakPolarHBondContact CG-O 3.23Å
803	H	88.1	Confident	92	Very high	76 Å²	76	42.7 Å²	42.7	35%	0.352	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.6	179.5	-55.4	-85.8	0	0	0	113.8	P793 S801	P793-H803 HydrophobicContact CG-CB 4.15Å; S801-H803 PolarHBondContact O-N 2.75Å; S801-H803 PolarHBondContact OG-N 2.77Å
804	V	91.9	Very high	92.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.234	C	C	.	.			trans	-107.2	106.8	178.3	177.9	0	0	0	0	109.6	L641 K792 A796 S801	L641-V804 HydrophobicContact CD2-CG1 4.14Å; K792-V804 HydrophobicContact CB-CG2 3.93Å; A796-V804 HydrophobicContact CB-CG2 3.87Å; S801-V804 PolarHBondContact O-N 3.03Å; S801-V804 VanDerWaalsContact O-N 3.08Å
805	F	93.2	Very high	92.3	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.3	177.6	-60.5	-99	0	0	0	109.3	W527 P727 L763 L769 A790 F791 F807	W527-F805 HydrophobicContact CB-CE1 4.3Å; P727-F805 HydrophobicContact CG-CD1 3.75Å; P727-F805 HydrophobicContact CG-CD2 4.46Å; P727-F805 HydrophobicContact CG-CE1 3.75Å; P727-F805 HydrophobicContact CG-CE2 4.45Å; P727-F805 HydrophobicContact CG-CG 4.12Å; P727-F805 HydrophobicContact CG-CZ 4.11Å; L763-F805 HydrophobicContact CD1-CD2 4.25Å; L763-F805 HydrophobicContact CD1-CG 4.28Å; L769-F805 HydrophobicContact CD1-CD2 4.31Å; L769-F805 HydrophobicContact CD1-CE2 4.15Å; A790-F805 CarbonylContact C-O 3.53Å; A790-F805 WeakPolarHBondContact CA-O 3.4Å; F791-F805 HydrophobicContact CB-CB 4.4Å; F791-F805 PolarHBondContact N-O 3.26Å; F791-F805 PolarHBondContact O-N 3.24Å; F805-F807 HydrophobicContact CB-CE2 3.72Å; F805-F807 HydrophobicContact CB-CZ 4.13Å
806	C	95.3	Very high	92.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.6	-176	-66.5	0	0	0	0	111.9	R725 W732 W778	R725-C806 HydrophobicContact CB-CB 4.19Å; R725-C806 PolarHBondContact N-O 3.05Å; R725-C806 PolarHBondContact O-N 3.11Å; W732-C806 HydrophobicContact CH2-CB 3.83Å; W732-C806 HydrophobicContact CZ3-CB 4.3Å; W778-C806 HydrophobicContact CH2-CB 4.04Å; W778-C806 HydrophobicContact CZ3-CB 4.22Å
807	F	96.8	Very high	92.6	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.1	-178.8	-55.7	-88.7	0	0	0	110.3	L722 F723 I724 L744 I762 G788 F789 F791 F805	L722-F807 HydrophobicContact CD1-CD1 4.04Å; F723-F807 CarbonylContact O-C 3.53Å; F723-F807 VanDerWaalsContact O-CA 3.32Å; F723-F807 WeakPolarHBondContact O-CA 3.45Å; I724-F807 HydrophobicContact CB-CD1 4.45Å; I724-F807 HydrophobicContact CG1-CD1 3.98Å; I724-F807 HydrophobicContact CG1-CE1 4.1Å; I724-F807 HydrophobicContact CG2-CD1 4.26Å; I724-F807 HydrophobicContact CG2-CE1 3.97Å; L744-F807 HydrophobicContact CD2-CD1 4.32Å; L744-F807 HydrophobicContact CD2-CE1 3.71Å; L744-F807 HydrophobicContact CD2-CZ 4Å; I762-F807 HydrophobicContact CD1-CE1 4.09Å; G788-F807 CarbonylContact C-O 3.58Å; G788-F807 VanDerWaalsContact CA-O 3.24Å; G788-F807 WeakPolarHBondContact CA-O 3.21Å; F789-F807 HydrophobicContact CD1-CB 4.02Å; F789-F807 HydrophobicContact CD2-CB 3.94Å; F789-F807 AromaticContact CD2-CD2 3.87Å; F789-F807 HydrophobicContact CD2-CD2 3.87Å; F789-F807 HydrophobicContact CD2-CG 4.21Å; F789-F807 HydrophobicContact CE1-CB 3.71Å; F789-F807 HydrophobicContact CE2-CB 3.59Å; F789-F807 AromaticContact CE2-CD2 3.52Å; F789-F807 HydrophobicContact CE2-CD2 3.52Å; F789-F807 HydrophobicContact CE2-CE2 4.34Å; F789-F807 AromaticContact CE2-CG 3.62Å; F789-F807 HydrophobicContact CE2-CG 3.62Å; F789-F807 HydrophobicContact CG-CB 4.15Å; F789-F807 HydrophobicContact CZ-CB 3.48Å; F789-F807 VanDerWaalsContact CZ-CB 3.48Å; F789-F807 HydrophobicContact CZ-CD1 4.48Å; F789-F807 HydrophobicContact CZ-CD2 4.21Å; F789-F807 AromaticContact CZ-CG 3.83Å; F789-F807 HydrophobicContact CZ-CG 3.83Å; F789-F807 PolarHBondContact N-O 2.73Å; F789-F807 PolarHBondContact O-N 3.02Å; F789-F807 VanDerWaalsContact O-O 3.06Å; F791-F807 HydrophobicContact CD2-CD2 4.5Å; F791-F807 HydrophobicContact CD2-CE2 4.08Å; F805-F807 HydrophobicContact CB-CE2 3.72Å; F805-F807 HydrophobicContact CB-CZ 4.13Å
808	C	97.2	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.6	164.9	-67.9	0	0	0	0	110.3	F723 W732 T785 H787	F723-C808 HydrophobicContact CB-CB 4.23Å; F723-C808 HydrophobicContact CD2-CB 4.38Å; F723-C808 PolarHBondContact N-O 2.91Å; F723-C808 PolarHBondContact O-N 2.83Å; W732-C808 HydrophobicContact CZ3-CB 4.26Å; T785-C808 PolarHBondContact O-SG 3.06Å; H787-C808 WeakPolarHBondContact O-CA 3.38Å
809	A	97.7	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.			trans	-80.5	170.8	170.1	0	0	0	0	0	111.4	L722 T785 H787 D811 A814 L815	L722-A809 HydrophobicContact CD2-CB 4.45Å; T785-A809 VanDerWaalsContact CG2-O 3.31Å; T785-A809 WeakPolarHBondContact CG2-O 3.19Å; T785-A809 PolarHBondContact OG1-O 2.83Å; H787-A809 HydrophobicContact CB-CB 4.42Å; H787-A809 PolarHBondContact O-N 3.26Å; A809-D811 VanDerWaalsContact C-N 3.34Å; A809-A814 HydrophobicContact CB-CB 3.87Å; A809-L815 HydrophobicContact CB-CB 3.91Å
810	T	96.7	Very high	94.2	Very high	47 Å²	47	34.8 Å²	34.8	29%	0.288	19%	0.185	S	C	.	.	S	Bend	trans	-66.6	-36	174.6	46.2	0	0	0	0	112.9	A814	T810-A814 WeakPolarHBondContact OG1-CB 3.36Å
811	D	96.4	Very high	94.8	Very high	69 Å²	69	31.9 Å²	31.9	37%	0.369	16%	0.163	S	C	.	.	S	Bend	trans	-158.9	176.4	-172.1	58.6	80.9	0	0	0	110.2	H787 A809 K813 A814 L815	H787-D811 VanDerWaalsContact CD2-CA 3.41Å; H787-D811 WeakPolarHBondContact CD2-CA 3.41Å; A809-D811 VanDerWaalsContact C-N 3.34Å; D811-K813 PolarHBondContact O-N 2.84Å; D811-K813 WeakPolarHBondContact OD1-CA 3.32Å; D811-K813 VanDerWaalsContact OD1-CB 3.29Å; D811-K813 WeakPolarHBondContact OD1-CB 3.31Å; D811-K813 PolarHBondContact OD1-N 2.87Å; D811-A814 PolarHBondContact O-N 3.45Å; D811-A814 PolarHBondContact OD1-N 3.34Å; D811-L815 PolarHBondContact O-N 3.33Å
812	E	96.1	Very high	95.3	Very high	108 Å²	108	30.7 Å²	30.7	51%	0.505	15%	0.154	S	C	.	.	H	α-helix	trans	-64	-36	-179	-160.9	-149.1	124.2	0	0	113.6	L815 R816	E812-L815 PolarHBondContact O-N 2.85Å; E812-R816 WeakPolarHBondContact O-CB 3.37Å; E812-R816 PolarHBondContact O-N 3.37Å; E812-R816 IonicContact OE1-CZ 3.13Å; E812-R816 IonicContact OE1-NH2 2.78Å; E812-R816 PolarHBondContact OE1-NH2 3.23Å
813	K	95.9	Very high	95.7	Very high	109 Å²	109	27.7 Å²	27.7	47%	0.474	13%	0.134	S	C	.	.	H	α-helix	trans	-69.3	-45.1	179.5	-171	-172.4	-174	-174.8	0	109.6	D811 R816 H817	D811-K813 PolarHBondContact O-N 2.84Å; D811-K813 WeakPolarHBondContact OD1-CA 3.32Å; D811-K813 VanDerWaalsContact OD1-CB 3.29Å; D811-K813 WeakPolarHBondContact OD1-CB 3.31Å; D811-K813 PolarHBondContact OD1-N 2.87Å; K813-R816 PolarHBondContact O-N 2.68Å; K813-H817 PolarHBondContact O-CD2 3.1Å; K813-H817 VanDerWaalsContact O-CD2 3.31Å; K813-H817 VanDerWaalsContact O-CG 3.29Å; K813-H817 PolarHBondContact O-N 3.32Å
814	A	96.6	Very high	96	Very high	7 Å²	7	24.3 Å²	24.3	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-46.3	173	0	0	0	0	0	111.4	A809 T810 D811 R816 H817 W818	A809-A814 HydrophobicContact CB-CB 3.87Å; T810-A814 WeakPolarHBondContact OG1-CB 3.36Å; D811-A814 PolarHBondContact O-N 3.45Å; D811-A814 PolarHBondContact OD1-N 3.34Å; A814-R816 VanDerWaalsContact C-N 3.34Å; A814-R816 PolarHBondContact O-N 2.84Å; A814-H817 PolarHBondContact O-N 2.83Å; A814-W818 WeakPolarHBondContact O-CB 3.24Å; A814-W818 PolarHBondContact O-N 2.98Å
815	L	97.5	Very high	96.1	Very high	26 Å²	26	24.8 Å²	24.8	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-46.8	174.8	172.8	66	0	0	0	112.1	H787 F789 A809 D811 E812 H817 W818 V819	H787-L815 HydrophobicContact CB-CB 4.05Å; H787-L815 HydrophobicContact CB-CD2 4.07Å; F789-L815 HydrophobicContact CB-CD1 4.09Å; F789-L815 HydrophobicContact CD1-CD1 3.71Å; F789-L815 HydrophobicContact CG-CD1 4.37Å; A809-L815 HydrophobicContact CB-CB 3.91Å; D811-L815 PolarHBondContact O-N 3.33Å; E812-L815 PolarHBondContact O-N 2.85Å; L815-H817 PolarHBondContact O-N 3.33Å; L815-W818 PolarHBondContact O-N 3.45Å; L815-V819 HydrophobicContact CD1-CG2 3.83Å; L815-V819 HydrophobicContact CG-CG2 4.42Å; L815-V819 WeakPolarHBondContact O-CG2 3.48Å; L815-V819 PolarHBondContact O-N 3.14Å
816	R	96.9	Very high	96.2	Very high	33 Å²	33	25.6 Å²	25.6	13%	0.125	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-44.4	-179.9	-158.5	-176.2	-47.7	123.9	2.8	112	Y685 W686 E812 K813 A814 S820	Y685-R816 VanDerWaalsContact CE2-NH1 3.3Å; Y685-R816 PolarHBondContact O-NH1 2.89Å; Y685-R816 VanDerWaalsContact OH-CZ 3.28Å; Y685-R816 PolarHBondContact OH-NH2 2.98Å; W686-R816 HydrophobicContact CD2-CG 4.2Å; W686-R816 HydrophobicContact CE3-CG 3.34Å; W686-R816 HydrophobicContact CZ3-CG 3.52Å; E812-R816 WeakPolarHBondContact O-CB 3.37Å; E812-R816 PolarHBondContact O-N 3.37Å; E812-R816 IonicContact OE1-CZ 3.13Å; E812-R816 IonicContact OE1-NH2 2.78Å; E812-R816 PolarHBondContact OE1-NH2 3.23Å; K813-R816 PolarHBondContact O-N 2.68Å; A814-R816 VanDerWaalsContact C-N 3.34Å; A814-R816 PolarHBondContact O-N 2.84Å; R816-S820 WeakPolarHBondContact O-CB 3.15Å; R816-S820 PolarHBondContact O-N 3.26Å; R816-S820 PolarHBondContact O-OG 2.85Å
817	H	96	Very high	96.1	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.111	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-47.3	173.8	-64.6	179.5	0	0	0	111.5	W686 I687 G688 W718 K813 A814 L815 R821	W686-H817 WeakPolarHBondContact O-CA 3.41Å; I687-H817 PolarHBondContact O-CD2 2.74Å; G688-H817 VanDerWaalsContact CA-NE2 3.34Å; G688-H817 WeakPolarHBondContact CA-NE2 3.4Å; W718-H817 HydrophobicContact CH2-CB 3.99Å; W718-H817 HydrophobicContact CZ2-CB 4.23Å; K813-H817 PolarHBondContact O-CD2 3.1Å; K813-H817 VanDerWaalsContact O-CD2 3.31Å; K813-H817 VanDerWaalsContact O-CG 3.29Å; K813-H817 PolarHBondContact O-N 3.32Å; A814-H817 PolarHBondContact O-N 2.83Å; L815-H817 PolarHBondContact O-N 3.33Å; H817-R821 VanDerWaalsContact O-CB 3.27Å; H817-R821 WeakPolarHBondContact O-CB 3.31Å; H817-R821 VanDerWaalsContact O-CD 3.3Å; H817-R821 WeakPolarHBondContact O-CD 3.17Å; H817-R821 WeakPolarHBondContact O-CG 3.23Å; H817-R821 PolarHBondContact O-N 2.88Å
818	W	97.1	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-53.5	178.7	-87.7	106	0	0	0	111.5	W718 D720 L722 C737 L739 L744 F789 A814 L815 R821 L822	W718-W818 HydrophobicContact CE3-CE3 4.4Å; W718-W818 HydrophobicContact CE3-CH2 4.24Å; W718-W818 HydrophobicContact CE3-CZ2 4.37Å; W718-W818 HydrophobicContact CE3-CZ3 4.25Å; W718-W818 AromaticContact CH2-CD1 3.82Å; W718-W818 AromaticContact CH2-CD2 3.87Å; W718-W818 HydrophobicContact CH2-CD2 3.87Å; W718-W818 AromaticContact CH2-CE2 3.63Å; W718-W818 AromaticContact CH2-CG 3.96Å; W718-W818 HydrophobicContact CH2-CG 3.96Å; W718-W818 HydrophobicContact CH2-CZ2 4.12Å; W718-W818 AromaticContact CH2-NE1 3.59Å; W718-W818 AromaticContact CZ3-CD2 3.42Å; W718-W818 HydrophobicContact CZ3-CD2 3.42Å; W718-W818 VanDerWaalsContact CZ3-CD2 3.42Å; W718-W818 AromaticContact CZ3-CE2 3.45Å; W718-W818 VanDerWaalsContact CZ3-CE2 3.45Å; W718-W818 AromaticContact CZ3-CE3 3.64Å; W718-W818 HydrophobicContact CZ3-CE3 3.64Å; W718-W818 AromaticContact CZ3-CG 3.88Å; W718-W818 HydrophobicContact CZ3-CG 3.88Å; W718-W818 AromaticContact CZ3-CH2 3.92Å; W718-W818 HydrophobicContact CZ3-CH2 3.92Å; W718-W818 AromaticContact CZ3-CZ2 3.74Å; W718-W818 HydrophobicContact CZ3-CZ2 3.74Å; W718-W818 AromaticContact CZ3-CZ3 3.87Å; W718-W818 HydrophobicContact CZ3-CZ3 3.87Å; W718-W818 AromaticContact CZ3-NE1 3.91Å; D720-W818 HydrophobicContact CB-CZ2 3.76Å; D720-W818 PolarHBondContact OD2-NE1 3.08Å; L722-W818 HydrophobicContact CD1-CD2 3.99Å; L722-W818 HydrophobicContact CD1-CE3 4.03Å; L722-W818 HydrophobicContact CD1-CH2 3.92Å; L722-W818 HydrophobicContact CD1-CZ2 3.83Å; L722-W818 HydrophobicContact CD1-CZ3 4.02Å; L722-W818 HydrophobicContact CD2-CD2 3.87Å; L722-W818 HydrophobicContact CD2-CG 3.94Å; L722-W818 HydrophobicContact CD2-CZ2 4.26Å; L722-W818 HydrophobicContact CG-CD2 4.13Å; L722-W818 HydrophobicContact CG-CH2 4.34Å; L722-W818 HydrophobicContact CG-CZ2 3.74Å; C737-W818 HydrophobicContact CB-CH2 3.77Å; C737-W818 HydrophobicContact CB-CZ2 4.12Å; L739-W818 HydrophobicContact CB-CZ3 4.15Å; L739-W818 HydrophobicContact CD2-CZ3 4.47Å; L744-W818 HydrophobicContact CD1-CH2 3.8Å; L744-W818 HydrophobicContact CD1-CZ3 3.47Å; L744-W818 VanDerWaalsContact CD1-CZ3 3.47Å; F789-W818 HydrophobicContact CE1-CB 3.9Å; F789-W818 HydrophobicContact CE1-CG 4.14Å; F789-W818 HydrophobicContact CZ-CB 4.31Å; F789-W818 HydrophobicContact CZ-CD2 4.47Å; F789-W818 HydrophobicContact CZ-CE3 4.41Å; F789-W818 HydrophobicContact CZ-CG 4.44Å; A814-W818 WeakPolarHBondContact O-CB 3.24Å; A814-W818 PolarHBondContact O-N 2.98Å; L815-W818 PolarHBondContact O-N 3.45Å; W818-R821 PolarHBondContact O-N 3.41Å; W818-L822 HydrophobicContact CB-CD1 4.49Å; W818-L822 HydrophobicContact CE3-CD1 4.14Å; W818-L822 HydrophobicContact CE3-CG 4.32Å; W818-L822 VanDerWaalsContact O-CB 3.25Å; W818-L822 WeakPolarHBondContact O-CB 3.25Å; W818-L822 WeakPolarHBondContact O-CD1 3.37Å; W818-L822 WeakPolarHBondContact O-CG 3.37Å; W818-L822 PolarHBondContact O-N 3.43Å
819	V	97.1	Very high	95.9	Very high	24 Å²	24	32 Å²	32	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-47.8	-178.5	171.4	0	0	0	0	111.4	L771 T773 F789 L815 R821 L822 R823	L771-V819 HydrophobicContact CD2-CG1 4.1Å; T773-V819 HydrophobicContact CG2-CG1 4.45Å; T773-V819 HydrophobicContact CG2-CG2 3.83Å; F789-V819 HydrophobicContact CB-CG2 4.33Å; L815-V819 HydrophobicContact CD1-CG2 3.83Å; L815-V819 HydrophobicContact CG-CG2 4.42Å; L815-V819 WeakPolarHBondContact O-CG2 3.48Å; L815-V819 PolarHBondContact O-N 3.14Å; V819-R821 VanDerWaalsContact C-N 3.35Å; V819-R821 PolarHBondContact O-N 2.85Å; V819-L822 PolarHBondContact O-N 3.39Å; V819-R823 PolarHBondContact O-N 2.93Å
820	S	96.2	Very high	95.9	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-43.5	-179.5	-52.8	0	0	0	0	111.7	W686 R816 R823 V824	W686-S820 WeakPolarHBondContact O-CB 3.37Å; W686-S820 PolarHBondContact O-OG 2.88Å; R816-S820 WeakPolarHBondContact O-CB 3.15Å; R816-S820 PolarHBondContact O-N 3.26Å; R816-S820 PolarHBondContact O-OG 2.85Å; S820-R823 PolarHBondContact O-N 2.9Å; S820-V824 WeakPolarHBondContact O-CG2 3.39Å; S820-V824 PolarHBondContact O-N 2.85Å; S820-V824 VanDerWaalsContact O-N 3.08Å
821	R	95.3	Very high	95.9	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.045	16%	0.155	C	C	.	.	H	α-helix	trans	-72.9	-35.2	179.3	-68.2	167.1	-175.5	-104.9	9.2	113	I687 T691 F715 W718 L739 H817 W818 V819 R823 V824 A825	I687-R821 HydrophobicContact CG2-CG 4.41Å; I687-R821 PolarHBondContact O-NE 3.17Å; I687-R821 PolarHBondContact O-NH2 2.73Å; T691-R821 PolarHBondContact OG1-NH2 2.71Å; F715-R821 HydrophobicContact CZ-CB 4.25Å; W718-R821 VanDerWaalsContact CD1-NH1 3.25Å; W718-R821 VanDerWaalsContact CD2-CD 3.46Å; L739-R821 HydrophobicContact CD2-CB 3.73Å; H817-R821 VanDerWaalsContact O-CB 3.27Å; H817-R821 WeakPolarHBondContact O-CB 3.31Å; H817-R821 VanDerWaalsContact O-CD 3.3Å; H817-R821 WeakPolarHBondContact O-CD 3.17Å; H817-R821 WeakPolarHBondContact O-CG 3.23Å; H817-R821 PolarHBondContact O-N 2.88Å; W818-R821 PolarHBondContact O-N 3.41Å; V819-R821 VanDerWaalsContact C-N 3.35Å; V819-R821 PolarHBondContact O-N 2.85Å; R821-R823 VanDerWaalsContact C-N 3.33Å; R821-V824 PolarHBondContact O-N 3.27Å; R821-A825 VanDerWaalsContact O-CB 3.31Å; R821-A825 WeakPolarHBondContact O-CB 3.38Å; R821-A825 PolarHBondContact O-N 3.13Å
822	L	96.3	Very high	95.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-36.9	174	-75.4	163.4	0	0	0	111.4	L739 L765 L771 F789 F791 W818 V819 K826	L739-L822 HydrophobicContact CD1-CD2 3.67Å; L739-L822 HydrophobicContact CD2-CD2 4.25Å; L739-L822 HydrophobicContact CD2-CG 4.34Å; L765-L822 HydrophobicContact CD2-CD2 4.16Å; L771-L822 HydrophobicContact CD1-CD1 4.4Å; L771-L822 HydrophobicContact CD2-CB 3.82Å; F789-L822 HydrophobicContact CD2-CD1 4.05Å; F789-L822 HydrophobicContact CE2-CD1 3.44Å; F789-L822 VanDerWaalsContact CE2-CD1 3.44Å; F789-L822 HydrophobicContact CZ-CD1 3.74Å; F791-L822 HydrophobicContact CE2-CD1 3.99Å; F791-L822 HydrophobicContact CE2-CD2 4.17Å; F791-L822 HydrophobicContact CZ-CB 4.34Å; F791-L822 HydrophobicContact CZ-CD1 4.29Å; F791-L822 HydrophobicContact CZ-CD2 4.04Å; F791-L822 HydrophobicContact CZ-CG 4.47Å; W818-L822 HydrophobicContact CB-CD1 4.49Å; W818-L822 HydrophobicContact CE3-CD1 4.14Å; W818-L822 HydrophobicContact CE3-CG 4.32Å; W818-L822 VanDerWaalsContact O-CB 3.25Å; W818-L822 WeakPolarHBondContact O-CB 3.25Å; W818-L822 WeakPolarHBondContact O-CD1 3.37Å; W818-L822 WeakPolarHBondContact O-CG 3.37Å; W818-L822 PolarHBondContact O-N 3.43Å; V819-L822 PolarHBondContact O-N 3.39Å; L822-K826 VanDerWaalsContact O-CB 3.23Å; L822-K826 WeakPolarHBondContact O-CB 3.39Å; L822-K826 PolarHBondContact O-N 3.35Å
823	R	95.7	Very high	96	Very high	18 Å²	18	27.3 Å²	27.3	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-51.4	170	-72.2	177	67.2	-140.2	-4.9	111	E648 D675 H676 L771 V819 S820 R821 A825 K826 Y827 L831	E648-R823 IonicContact OE1-CZ 2.62Å; E648-R823 IonicContact OE1-NE 3.58Å; E648-R823 PolarHBondContact OE1-NE 3.5Å; E648-R823 IonicContact OE1-NH2 3.62Å; E648-R823 IonicContact OE2-CZ 3.65Å; E648-R823 IonicContact OE2-NE 2.67Å; E648-R823 PolarHBondContact OE2-NE 3.47Å; E648-R823 IonicContact OE2-NH2 2.92Å; E648-R823 PolarHBondContact OE2-NH2 3.18Å; D675-R823 PolarHBondContact O-NH1 3.04Å; H676-R823 VanDerWaalsContact O-CZ 3.27Å; H676-R823 PolarHBondContact O-NH1 2.95Å; H676-R823 PolarHBondContact O-NH2 3.23Å; L771-R823 HydrophobicContact CD2-CG 4Å; V819-R823 PolarHBondContact O-N 2.93Å; S820-R823 PolarHBondContact O-N 2.9Å; R821-R823 VanDerWaalsContact C-N 3.33Å; R823-A825 VanDerWaalsContact C-N 3.32Å; R823-A825 PolarHBondContact O-N 2.99Å; R823-K826 PolarHBondContact O-N 3.27Å; R823-K826 VanDerWaalsContact O-N 3.17Å; R823-Y827 HydrophobicContact CB-CD2 4.17Å; R823-Y827 HydrophobicContact CG-CD2 4.42Å; R823-Y827 HydrophobicContact CG-CE2 4.3Å; R823-Y827 WeakPolarHBondContact O-CB 3.33Å; R823-Y827 WeakPolarHBondContact O-CD2 3.27Å; R823-Y827 PolarHBondContact O-N 3.15Å; R823-L831 HydrophobicContact CB-CD1 4.17Å
824	V	94.3	Very high	96.1	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-58.5	-41.4	178	173.6	0	0	0	0	112.2	L679 M706 L707 I710 F715 S820 R821 G828 L831	L679-V824 HydrophobicContact CD1-CG2 3.84Å; L679-V824 HydrophobicContact CD2-CG2 4.36Å; M706-V824 HydrophobicContact CE-CG1 3.93Å; L707-V824 HydrophobicContact CD2-CG1 3.9Å; L707-V824 HydrophobicContact CD2-CG2 4.25Å; I710-V824 HydrophobicContact CD1-CG1 3.69Å; F715-V824 HydrophobicContact CD2-CG1 3.98Å; F715-V824 HydrophobicContact CE2-CB 4.21Å; F715-V824 HydrophobicContact CE2-CG1 3.9Å; S820-V824 WeakPolarHBondContact O-CG2 3.39Å; S820-V824 PolarHBondContact O-N 2.85Å; S820-V824 VanDerWaalsContact O-N 3.08Å; R821-V824 PolarHBondContact O-N 3.27Å; V824-G828 VanDerWaalsContact O-CA 3.32Å; V824-G828 WeakPolarHBondContact O-CA 3.45Å; V824-G828 PolarHBondContact O-N 3.01Å; V824-L831 HydrophobicContact CG2-CD1 4.03Å
825	A	94.3	Very high	96.2	Very high	11 Å²	11	23 Å²	23	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-30.6	177.9	0	0	0	0	0	113.8	F715 L739 L765 R821 R823	F715-A825 HydrophobicContact CD1-CB 4.39Å; F715-A825 HydrophobicContact CD2-CB 3.71Å; F715-A825 HydrophobicContact CE1-CB 4.39Å; F715-A825 HydrophobicContact CE2-CB 3.71Å; F715-A825 HydrophobicContact CG-CB 4.08Å; F715-A825 HydrophobicContact CZ-CB 4.07Å; L739-A825 HydrophobicContact CD1-CB 4.09Å; L739-A825 HydrophobicContact CD2-CB 4.34Å; L739-A825 HydrophobicContact CG-CB 4.3Å; L765-A825 HydrophobicContact CD1-CB 3.51Å; R821-A825 VanDerWaalsContact O-CB 3.31Å; R821-A825 WeakPolarHBondContact O-CB 3.38Å; R821-A825 PolarHBondContact O-N 3.13Å; R823-A825 VanDerWaalsContact C-N 3.32Å; R823-A825 PolarHBondContact O-N 2.99Å
826	K	94.3	Very high	96.2	Very high	36 Å²	36	25.9 Å²	25.9	16%	0.157	12%	0.122	C	C	.	.	H	α-helix	trans	-84.7	-38.8	-179.8	-179.2	179	172.2	78.7	0	113.5	L765 G767 L769 L822 R823	L765-K826 HydrophobicContact CB-CB 4.21Å; L765-K826 HydrophobicContact CB-CG 4.4Å; L765-K826 HydrophobicContact CD2-CB 4.46Å; L765-K826 PolarHBondContact O-NZ 2.95Å; G767-K826 PolarHBondContact O-NZ 3.05Å; L769-K826 VanDerWaalsContact O-CE 3.31Å; L769-K826 WeakPolarHBondContact O-CE 3.17Å; L769-K826 PolarHBondContact O-NZ 2.82Å; L822-K826 VanDerWaalsContact O-CB 3.23Å; L822-K826 WeakPolarHBondContact O-CB 3.39Å; L822-K826 PolarHBondContact O-N 3.35Å; R823-K826 PolarHBondContact O-N 3.27Å; R823-K826 VanDerWaalsContact O-N 3.17Å
827	Y	94.5	Very high	96.2	Very high	33 Å²	33	28 Å²	28	13%	0.129	14%	0.135	C	C	.	.	H	α-helix	trans	-110.6	-19.3	-169.4	-60.4	-64	0	0	0	113.5	E648 H650 R823 R829 Q830 L831	E648-Y827 HydrophobicContact CG-CD2 4.34Å; E648-Y827 HydrophobicContact CG-CE1 4.24Å; E648-Y827 HydrophobicContact CG-CE2 3.79Å; E648-Y827 WeakPolarHBondContact OE1-CE2 3.28Å; H650-Y827 AromaticContact CE1-CD1 3.98Å; R823-Y827 HydrophobicContact CB-CD2 4.17Å; R823-Y827 HydrophobicContact CG-CD2 4.42Å; R823-Y827 HydrophobicContact CG-CE2 4.3Å; R823-Y827 WeakPolarHBondContact O-CB 3.33Å; R823-Y827 WeakPolarHBondContact O-CD2 3.27Å; R823-Y827 PolarHBondContact O-N 3.15Å; Y827-R829 PolarHBondContact O-N 2.9Å; Y827-Q830 VanDerWaalsContact O-CB 3.27Å; Y827-Q830 WeakPolarHBondContact O-CB 3.44Å; Y827-Q830 PolarHBondContact O-N 3.34Å; Y827-L831 HydrophobicContact CD2-CD2 4Å; Y827-L831 HydrophobicContact CG-CD2 4.31Å
828	G	94	Very high	96.3	Very high	11 Å²	11	26.9 Å²	26.9	11%	0.113	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-131	176.5	0	0	0	0	0	113.2	V824 Q830 L831	V824-G828 VanDerWaalsContact O-CA 3.32Å; V824-G828 WeakPolarHBondContact O-CA 3.45Å; V824-G828 PolarHBondContact O-N 3.01Å; G828-Q830 PolarHBondContact O-N 3.48Å; G828-Q830 VanDerWaalsContact O-N 3.13Å; G828-L831 PolarHBondContact O-N 3.03Å
829	R	95.9	Very high	96.3	Very high	95 Å²	95	29.2 Å²	29.2	36%	0.358	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.6	179.1	-173.9	172.5	54	-101.3	-16.5	113.7	L707 N708 I710 D711 Y827 L831 L832 T833	L707-R829 WeakPolarHBondContact O-CA 3.39Å; L707-R829 VanDerWaalsContact O-CB 3.28Å; L707-R829 WeakPolarHBondContact O-CB 3.34Å; N708-R829 PolarHBondContact O-NH1 2.72Å; I710-R829 HydrophobicContact CG2-CB 4.46Å; D711-R829 IonicContact OD1-NH1 3.92Å; D711-R829 PolarHBondContact OD1-NH1 3.44Å; D711-R829 IonicContact OD2-CZ 3.65Å; D711-R829 IonicContact OD2-NH1 2.75Å; D711-R829 PolarHBondContact OD2-NH1 3.02Å; D711-R829 IonicContact OD2-NH2 3.43Å; D711-R829 PolarHBondContact OD2-NH2 2.9Å; Y827-R829 PolarHBondContact O-N 2.9Å; R829-L831 PolarHBondContact O-N 2.92Å; R829-L832 WeakPolarHBondContact O-CB 3.27Å; R829-L832 PolarHBondContact O-N 3.31Å; R829-T833 PolarHBondContact O-N 3.38Å
830	Q	96.4	Very high	96.3	Very high	64 Å²	64	30.8 Å²	30.8	30%	0.299	15%	0.154	S	C	.	.	H	α-helix	trans	-60	-33.7	-177.5	-173.7	57.3	37.8	0	0	112.5	H650 Y827 G828 L832 T833 D834	H650-Q830 WeakPolarHBondContact ND1-CG 3.33Å; Y827-Q830 VanDerWaalsContact O-CB 3.27Å; Y827-Q830 WeakPolarHBondContact O-CB 3.44Å; Y827-Q830 PolarHBondContact O-N 3.34Å; G828-Q830 PolarHBondContact O-N 3.48Å; G828-Q830 VanDerWaalsContact O-N 3.13Å; Q830-L832 PolarHBondContact O-N 3.05Å; Q830-T833 WeakPolarHBondContact O-CA 3.32Å; Q830-T833 WeakPolarHBondContact O-CB 3.36Å; Q830-T833 PolarHBondContact O-N 2.86Å; Q830-T833 VanDerWaalsContact O-N 3.09Å; Q830-D834 PolarHBondContact NE2-OD1 2.89Å; Q830-D834 PolarHBondContact O-N 3.49Å
831	L	96.9	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-30.5	175.4	-64.4	172.2	0	0	0	113	L679 R823 V824 Y827 G828 R829 Y835	L679-L831 HydrophobicContact CD2-CD1 4.39Å; R823-L831 HydrophobicContact CB-CD1 4.17Å; V824-L831 HydrophobicContact CG2-CD1 4.03Å; Y827-L831 HydrophobicContact CD2-CD2 4Å; Y827-L831 HydrophobicContact CG-CD2 4.31Å; G828-L831 PolarHBondContact O-N 3.03Å; R829-L831 PolarHBondContact O-N 2.92Å; L831-Y835 WeakPolarHBondContact O-CB 3.4Å; L831-Y835 PolarHBondContact O-N 3.3Å
832	L	97	Very high	96.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-79.2	-37.6	176.6	-177	53.1	0	0	0	111.4	Q704 L707 N708 R829 Q830 D834 Y835 H836	Q704-L832 HydrophobicContact CB-CD1 4.13Å; Q704-L832 HydrophobicContact CB-CD2 4.06Å; Q704-L832 HydrophobicContact CG-CD1 3.67Å; Q704-L832 WeakPolarHBondContact O-CD2 3.15Å; L707-L832 HydrophobicContact CB-CB 4.15Å; L707-L832 HydrophobicContact CB-CD2 4.1Å; L707-L832 HydrophobicContact CD1-CB 4.31Å; N708-L832 HydrophobicContact CB-CD2 4.46Å; N708-L832 WeakPolarHBondContact ND2-CD2 3.23Å; N708-L832 WeakPolarHBondContact OD1-CD2 3.26Å; R829-L832 WeakPolarHBondContact O-CB 3.27Å; R829-L832 PolarHBondContact O-N 3.31Å; Q830-L832 PolarHBondContact O-N 3.05Å; L832-D834 VanDerWaalsContact C-N 3.33Å; L832-Y835 HydrophobicContact CD1-CD1 4.39Å; L832-Y835 PolarHBondContact O-N 2.96Å; L832-H836 VanDerWaalsContact CD1-CE1 3.43Å; L832-H836 WeakPolarHBondContact CD1-CE1 3.39Å; L832-H836 WeakPolarHBondContact CD1-NE2 3.33Å; L832-H836 VanDerWaalsContact O-CG 3.26Å; L832-H836 PolarHBondContact O-N 3.29Å; L832-H836 PolarHBondContact O-ND1 2.86Å
833	T	97.9	Very high	96.5	Very high	57 Å²	57	37.3 Å²	37.3	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-48.8	168	-50.2	0	0	0	0	110.5	R829 Q830 Y835 H836 M837	R829-T833 PolarHBondContact O-N 3.38Å; Q830-T833 WeakPolarHBondContact O-CA 3.32Å; Q830-T833 WeakPolarHBondContact O-CB 3.36Å; Q830-T833 PolarHBondContact O-N 2.86Å; Q830-T833 VanDerWaalsContact O-N 3.09Å; T833-Y835 PolarHBondContact O-N 3.33Å; T833-H836 PolarHBondContact O-N 2.95Å; T833-M837 HydrophobicContact CG2-CE 4.41Å; T833-M837 WeakPolarHBondContact O-CG 3.26Å; T833-M837 PolarHBondContact O-N 3.45Å
834	D	98.2	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-45.1	179.2	-63.6	-20.4	0	0	0	111.7	E649 H650 F677 Q830 L832 H836 M837 A838	E649-D834 HydrophobicContact CB-CB 3.98Å; E649-D834 HydrophobicContact CG-CB 4.21Å; H650-D834 WeakPolarHBondContact CB-OD1 3.47Å; H650-D834 IonicContact CE1-OD2 3.03Å; H650-D834 PolarHBondContact CE1-OD2 2.95Å; H650-D834 IonicContact CG-OD1 3.03Å; H650-D834 IonicContact CG-OD2 3.8Å; H650-D834 VanDerWaalsContact ND1-CG 3.33Å; H650-D834 IonicContact ND1-OD1 2.83Å; H650-D834 PolarHBondContact ND1-OD1 3.08Å; H650-D834 VanDerWaalsContact ND1-OD1 3.15Å; H650-D834 IonicContact ND1-OD2 2.7Å; H650-D834 PolarHBondContact ND1-OD2 2.95Å; F677-D834 HydrophobicContact CE1-CB 3.99Å; F677-D834 HydrophobicContact CZ-CB 4.15Å; Q830-D834 PolarHBondContact NE2-OD1 2.89Å; Q830-D834 PolarHBondContact O-N 3.49Å; L832-D834 VanDerWaalsContact C-N 3.33Å; D834-H836 VanDerWaalsContact C-N 3.34Å; D834-H836 PolarHBondContact O-N 2.86Å; D834-M837 HydrophobicContact CB-CE 4.47Å; D834-M837 WeakPolarHBondContact O-CB 3.5Å; D834-M837 PolarHBondContact O-N 2.96Å; D834-M837 VanDerWaalsContact O-N 3.16Å; D834-M837 VanDerWaalsContact OD1-CE 3.23Å; D834-M837 WeakPolarHBondContact OD1-CE 3.32Å; D834-A838 PolarHBondContact O-N 3.48Å
835	Y	98	Very high	96.6	Very high	27 Å²	27	42.5 Å²	42.5	11%	0.106	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176.3	-177.4	-120.9	0	0	0	112.5	F677 I680 E681 L831 L832 T833 A838 L839	F677-Y835 HydrophobicContact CB-CD2 3.7Å; F677-Y835 HydrophobicContact CB-CE2 3.99Å; F677-Y835 AromaticContact CD1-CD2 3.7Å; F677-Y835 HydrophobicContact CD1-CD2 3.7Å; F677-Y835 HydrophobicContact CD1-CG 4.15Å; F677-Y835 HydrophobicContact CD2-CD2 4.07Å; F677-Y835 HydrophobicContact CE1-CD2 4.33Å; F677-Y835 AromaticContact CG-CD2 3.55Å; F677-Y835 HydrophobicContact CG-CD2 3.55Å; F677-Y835 HydrophobicContact CG-CE2 4.28Å; F677-Y835 HydrophobicContact CG-CG 4.44Å; I680-Y835 HydrophobicContact CD1-CD1 4.11Å; I680-Y835 HydrophobicContact CD1-CG 3.85Å; I680-Y835 HydrophobicContact CG2-CD1 3.84Å; I680-Y835 HydrophobicContact CG2-CE1 3.76Å; I680-Y835 HydrophobicContact CG2-CG 4.44Å; E681-Y835 HydrophobicContact CG-CE2 4.06Å; L831-Y835 WeakPolarHBondContact O-CB 3.4Å; L831-Y835 PolarHBondContact O-N 3.3Å; L832-Y835 HydrophobicContact CD1-CD1 4.39Å; L832-Y835 PolarHBondContact O-N 2.96Å; T833-Y835 PolarHBondContact O-N 3.33Å; Y835-A838 PolarHBondContact O-N 3.48Å; Y835-L839 HydrophobicContact CD1-CD1 3.95Å; Y835-L839 HydrophobicContact CE1-CD1 3.58Å; Y835-L839 HydrophobicContact CE1-CG 4.47Å; Y835-L839 HydrophobicContact CE2-CD1 4.25Å; Y835-L839 HydrophobicContact CE2-CG 4.29Å; Y835-L839 HydrophobicContact CG-CD1 4.43Å; Y835-L839 WeakPolarHBondContact O-CB 3.46Å; Y835-L839 WeakPolarHBondContact O-CG 3.49Å; Y835-L839 PolarHBondContact O-N 2.85Å
836	H	97.4	Very high	96.7	Very high	85 Å²	85	45.2 Å²	45.2	39%	0.394	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-33.2	174.3	-64.2	154.7	0	0	0	112.9	L832 T833 D834 S840	L832-H836 VanDerWaalsContact CD1-CE1 3.43Å; L832-H836 WeakPolarHBondContact CD1-CE1 3.39Å; L832-H836 WeakPolarHBondContact CD1-NE2 3.33Å; L832-H836 VanDerWaalsContact O-CG 3.26Å; L832-H836 PolarHBondContact O-N 3.29Å; L832-H836 PolarHBondContact O-ND1 2.86Å; T833-H836 PolarHBondContact O-N 2.95Å; D834-H836 VanDerWaalsContact C-N 3.34Å; D834-H836 PolarHBondContact O-N 2.86Å; H836-S840 VanDerWaalsContact O-CB 3.31Å; H836-S840 WeakPolarHBondContact O-CB 3.45Å; H836-S840 PolarHBondContact O-N 3.34Å; H836-S840 PolarHBondContact O-OG 2.91Å
837	M	97.5	Very high	96.6	Very high	78 Å²	78	46.2 Å²	46.2	38%	0.384	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-46.8	171.2	-69	-169.4	-61.8	0	0	111.1	E649 H650 T833 D834 L839 S840 R841	E649-M837 HydrophobicContact CB-CE 4.02Å; H650-M837 HydrophobicContact CB-CE 4.41Å; T833-M837 HydrophobicContact CG2-CE 4.41Å; T833-M837 WeakPolarHBondContact O-CG 3.26Å; T833-M837 PolarHBondContact O-N 3.45Å; D834-M837 HydrophobicContact CB-CE 4.47Å; D834-M837 WeakPolarHBondContact O-CB 3.5Å; D834-M837 PolarHBondContact O-N 2.96Å; D834-M837 VanDerWaalsContact O-N 3.16Å; D834-M837 VanDerWaalsContact OD1-CE 3.23Å; D834-M837 WeakPolarHBondContact OD1-CE 3.32Å; M837-L839 PolarHBondContact O-N 2.96Å; M837-S840 WeakPolarHBondContact O-CB 3.47Å; M837-S840 PolarHBondContact O-N 3.37Å; M837-R841 WeakPolarHBondContact O-CB 3.45Å; M837-R841 PolarHBondContact O-N 3.26Å
838	A	98.1	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-43.6	177.5	0	0	0	0	0	112.5	V630 E649 F677 D834 Y835 R841 V842	V630-A838 HydrophobicContact CB-CB 4.22Å; V630-A838 HydrophobicContact CG1-CB 4.01Å; E649-A838 HydrophobicContact CG-CB 4.18Å; F677-A838 HydrophobicContact CD2-CB 4.35Å; F677-A838 HydrophobicContact CE2-CB 3.48Å; F677-A838 VanDerWaalsContact CE2-CB 3.48Å; F677-A838 HydrophobicContact CZ-CB 3.88Å; D834-A838 PolarHBondContact O-N 3.48Å; Y835-A838 PolarHBondContact O-N 3.48Å; A838-R841 WeakPolarHBondContact O-CB 3.46Å; A838-R841 PolarHBondContact O-N 2.93Å; A838-V842 WeakPolarHBondContact O-CG2 3.45Å; A838-V842 PolarHBondContact O-N 2.94Å
839	L	97.7	Very high	96.3	Very high	50 Å²	50	51.5 Å²	51.5	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-42.5	173.3	-75.3	170.7	0	0	0	112	V630 Y835 M837 V842 H843	V630-L839 HydrophobicContact CG1-CD2 3.87Å; V630-L839 HydrophobicContact CG1-CG 4.17Å; Y835-L839 HydrophobicContact CD1-CD1 3.95Å; Y835-L839 HydrophobicContact CE1-CD1 3.58Å; Y835-L839 HydrophobicContact CE1-CG 4.47Å; Y835-L839 HydrophobicContact CE2-CD1 4.25Å; Y835-L839 HydrophobicContact CE2-CG 4.29Å; Y835-L839 HydrophobicContact CG-CD1 4.43Å; Y835-L839 WeakPolarHBondContact O-CB 3.46Å; Y835-L839 WeakPolarHBondContact O-CG 3.49Å; Y835-L839 PolarHBondContact O-N 2.85Å; M837-L839 PolarHBondContact O-N 2.96Å; L839-V842 PolarHBondContact O-N 2.85Å; L839-H843 VanDerWaalsContact O-CG 3.31Å; L839-H843 PolarHBondContact O-N 3.04Å; L839-H843 PolarHBondContact O-ND1 3.23Å
840	S	97.4	Very high	95.9	Very high	57 Å²	57	50.4 Å²	50.4	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-44.6	177.6	-60.7	0	0	0	0	111.8	H836 M837 V842 H843 Q844	H836-S840 VanDerWaalsContact O-CB 3.31Å; H836-S840 WeakPolarHBondContact O-CB 3.45Å; H836-S840 PolarHBondContact O-N 3.34Å; H836-S840 PolarHBondContact O-OG 2.91Å; M837-S840 WeakPolarHBondContact O-CB 3.47Å; M837-S840 PolarHBondContact O-N 3.37Å; S840-V842 PolarHBondContact O-N 3.3Å; S840-H843 PolarHBondContact O-N 3.23Å; S840-Q844 WeakPolarHBondContact O-CB 3.46Å; S840-Q844 VanDerWaalsContact O-CG 3.24Å; S840-Q844 WeakPolarHBondContact O-CG 3.22Å; S840-Q844 PolarHBondContact O-N 2.95Å
841	R	96.9	Very high	95.4	Very high	11 Å²	11	52.2 Å²	52.2	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-54.3	-47.9	172.4	168.1	172.7	64.3	73.8	-19.4	111.4	G614 T618 S629 L632 E649 M837 A838 L845	G614-R841 WeakPolarHBondContact O-CD 3.39Å; T618-R841 WeakPolarHBondContact OG1-CD 3.25Å; T618-R841 WeakPolarHBondContact OG1-CG 3.43Å; S629-R841 PolarHBondContact O-NH1 3.27Å; L632-R841 PolarHBondContact O-NH2 3.4Å; E649-R841 IonicContact OE1-CZ 3.65Å; E649-R841 IonicContact OE1-NE 3.56Å; E649-R841 IonicContact OE1-NH2 3.61Å; E649-R841 PolarHBondContact OE1-NH2 2.92Å; E649-R841 IonicContact OE2-CZ 3.3Å; E649-R841 IonicContact OE2-NE 3.67Å; E649-R841 PolarHBondContact OE2-NE 2.62Å; E649-R841 IonicContact OE2-NH2 2.63Å; E649-R841 PolarHBondContact OE2-NH2 3.03Å; M837-R841 WeakPolarHBondContact O-CB 3.45Å; M837-R841 PolarHBondContact O-N 3.26Å; A838-R841 WeakPolarHBondContact O-CB 3.46Å; A838-R841 PolarHBondContact O-N 2.93Å; R841-L845 HydrophobicContact CG-CD1 4.07Å; R841-L845 WeakPolarHBondContact O-CB 3.49Å; R841-L845 WeakPolarHBondContact O-CD1 3.27Å; R841-L845 VanDerWaalsContact O-CG 3.29Å; R841-L845 WeakPolarHBondContact O-CG 3.45Å; R841-L845 PolarHBondContact O-N 2.78Å; R841-L845 VanDerWaalsContact O-N 3.11Å
842	V	97.6	Very high	94.7	Very high	17 Å²	17	58 Å²	58	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-48.8	176.5	168.8	0	0	0	0	111.9	P628 V630 A838 L839 S840 Q844 L845 I846	P628-V842 HydrophobicContact CB-CB 4.46Å; P628-V842 HydrophobicContact CB-CG1 4.26Å; P628-V842 HydrophobicContact CB-CG2 4.32Å; V630-V842 HydrophobicContact CG1-CG2 3.96Å; A838-V842 WeakPolarHBondContact O-CG2 3.45Å; A838-V842 PolarHBondContact O-N 2.94Å; L839-V842 PolarHBondContact O-N 2.85Å; S840-V842 PolarHBondContact O-N 3.3Å; V842-Q844 PolarHBondContact O-N 3.36Å; V842-L845 PolarHBondContact O-N 2.72Å; V842-I846 HydrophobicContact CG1-CD1 3.73Å; V842-I846 VanDerWaalsContact O-CG1 3.31Å; V842-I846 WeakPolarHBondContact O-CG1 3.32Å; V842-I846 PolarHBondContact O-N 3.32Å; V842-I846 VanDerWaalsContact O-N 3.08Å
843	H	97.1	Very high	93.8	Very high	125 Å²	125	61.1 Å²	61.1	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-40.9	179.7	-67.3	155.7	0	0	0	113	L839 S840 S847	L839-H843 VanDerWaalsContact O-CG 3.31Å; L839-H843 PolarHBondContact O-N 3.04Å; L839-H843 PolarHBondContact O-ND1 3.23Å; S840-H843 PolarHBondContact O-N 3.23Å; H843-S847 WeakPolarHBondContact O-CB 3.36Å; H843-S847 PolarHBondContact O-N 3.23Å
844	Q	96.2	Very high	92.7	Very high	127 Å²	127	62.3 Å²	62.3	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-62.8	-49.6	177.4	-72.5	170.6	19.5	0	0	111.4	S840 V842 I846 S847 L848	S840-Q844 WeakPolarHBondContact O-CB 3.46Å; S840-Q844 VanDerWaalsContact O-CG 3.24Å; S840-Q844 WeakPolarHBondContact O-CG 3.22Å; S840-Q844 PolarHBondContact O-N 2.95Å; V842-Q844 PolarHBondContact O-N 3.36Å; Q844-I846 PolarHBondContact O-N 3.1Å; Q844-S847 WeakPolarHBondContact O-CB 3.37Å; Q844-S847 PolarHBondContact O-N 3.43Å; Q844-S847 VanDerWaalsContact O-N 3.16Å; Q844-L848 WeakPolarHBondContact O-CG 3.18Å; Q844-L848 PolarHBondContact O-N 2.72Å
845	L	96.1	Very high	91.3	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-38.4	179.8	-71.5	167.9	0	0	0	112.8	T618 I621 E622 P628 R841 V842 R849	T618-L845 HydrophobicContact CG2-CD1 4.23Å; T618-L845 HydrophobicContact CG2-CD2 4.03Å; T618-L845 HydrophobicContact CG2-CG 4.37Å; I621-L845 HydrophobicContact CB-CD1 4.09Å; I621-L845 HydrophobicContact CD1-CD1 3.96Å; I621-L845 HydrophobicContact CG2-CD1 3.84Å; E622-L845 HydrophobicContact CG-CD2 3.57Å; E622-L845 WeakPolarHBondContact OE1-CD2 3.42Å; P628-L845 HydrophobicContact CB-CB 3.95Å; P628-L845 HydrophobicContact CB-CD1 4.16Å; P628-L845 HydrophobicContact CG-CB 3.59Å; P628-L845 HydrophobicContact CG-CD1 4.34Å; R841-L845 HydrophobicContact CG-CD1 4.07Å; R841-L845 WeakPolarHBondContact O-CB 3.49Å; R841-L845 WeakPolarHBondContact O-CD1 3.27Å; R841-L845 VanDerWaalsContact O-CG 3.29Å; R841-L845 WeakPolarHBondContact O-CG 3.45Å; R841-L845 PolarHBondContact O-N 2.78Å; R841-L845 VanDerWaalsContact O-N 3.11Å; V842-L845 PolarHBondContact O-N 2.72Å; L845-R849 WeakPolarHBondContact O-CG 3.45Å; L845-R849 PolarHBondContact O-N 3.4Å; L845-R849 VanDerWaalsContact O-N 3.16Å
846	I	95	Very high	89.6	Confident	67 Å²	67	69.5 Å²	69.5	34%	0.344	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-40.4	174.6	-68.1	169.7	0	0	0	111.1	P628 V842 Q844 T850	P628-I846 HydrophobicContact CB-CG1 4.28Å; P628-I846 HydrophobicContact CG-CG1 4.07Å; V842-I846 HydrophobicContact CG1-CD1 3.73Å; V842-I846 VanDerWaalsContact O-CG1 3.31Å; V842-I846 WeakPolarHBondContact O-CG1 3.32Å; V842-I846 PolarHBondContact O-N 3.32Å; V842-I846 VanDerWaalsContact O-N 3.08Å; Q844-I846 PolarHBondContact O-N 3.1Å; I846-T850 WeakPolarHBondContact O-CB 3.26Å; I846-T850 PolarHBondContact O-N 3.09Å; I846-T850 PolarHBondContact O-OG1 3.12Å
847	S	93.4	Very high	87.8	Confident	57 Å²	57	72 Å²	72	40%	0.399	39%	0.387	S	S	.	.	H	α-helix	trans	-64.6	-46.5	177.3	-171.3	0	0	0	0	112	H843 Q844 R849 T850 Q851	H843-S847 WeakPolarHBondContact O-CB 3.36Å; H843-S847 PolarHBondContact O-N 3.23Å; Q844-S847 WeakPolarHBondContact O-CB 3.37Å; Q844-S847 PolarHBondContact O-N 3.43Å; Q844-S847 VanDerWaalsContact O-N 3.16Å; S847-R849 PolarHBondContact O-N 3.18Å; S847-T850 WeakPolarHBondContact O-CB 3.29Å; S847-T850 PolarHBondContact O-N 2.81Å; S847-Q851 WeakPolarHBondContact O-CG 3.49Å; S847-Q851 PolarHBondContact O-N 3.26Å; S847-Q851 PolarHBondContact OG-NE2 2.69Å; S847-Q851 VanDerWaalsContact OG-NE2 3.15Å
848	L	90.9	Very high	85.8	Confident	86 Å²	86	76.9 Å²	76.9	45%	0.45	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-47.5	178	-71.9	168.8	0	0	0	111.9	Q844 T850 Q851 L852	Q844-L848 WeakPolarHBondContact O-CG 3.18Å; Q844-L848 PolarHBondContact O-N 2.72Å; L848-T850 VanDerWaalsContact C-N 3.33Å; L848-T850 PolarHBondContact O-N 3.36Å; L848-Q851 PolarHBondContact O-N 3.41Å; L848-L852 WeakPolarHBondContact O-CG 3.24Å; L848-L852 PolarHBondContact O-N 3.32Å
849	R	89.8	Confident	83.5	Confident	70 Å²	70	81.4 Å²	81.4	26%	0.264	43%	0.433	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.9	-71.3	178.7	-173.5	-167.7	6.2	112	I621 F625 L626 L845 S847 Q851 L852 S853	I621-R849 PolarHBondContact O-NH2 3.08Å; F625-R849 PolarHBondContact O-NH1 2.84Å; L626-R849 PolarHBondContact O-NH1 3.36Å; L626-R849 PolarHBondContact O-NH2 3.04Å; L845-R849 WeakPolarHBondContact O-CG 3.45Å; L845-R849 PolarHBondContact O-N 3.4Å; L845-R849 VanDerWaalsContact O-N 3.16Å; S847-R849 PolarHBondContact O-N 3.18Å; R849-Q851 PolarHBondContact O-N 2.85Å; R849-L852 PolarHBondContact O-N 2.83Å; R849-S853 PolarHBondContact O-N 2.61Å; R849-S853 PolarHBondContact O-OG 2.83Å; R849-S853 VanDerWaalsContact O-OG 3.09Å
850	T	89.1	Confident	81.3	Confident	71 Å²	71	83.7 Å²	83.7	44%	0.436	45%	0.453	S	S	.	.	H	α-helix	trans	-63.2	-41.1	178	-58	0	0	0	0	111.8	I846 S847 L848 S853 I854	I846-T850 WeakPolarHBondContact O-CB 3.26Å; I846-T850 PolarHBondContact O-N 3.09Å; I846-T850 PolarHBondContact O-OG1 3.12Å; S847-T850 WeakPolarHBondContact O-CB 3.29Å; S847-T850 PolarHBondContact O-N 2.81Å; L848-T850 VanDerWaalsContact C-N 3.33Å; L848-T850 PolarHBondContact O-N 3.36Å; T850-S853 PolarHBondContact O-N 2.9Å; T850-I854 HydrophobicContact CG2-CD1 3.95Å; T850-I854 VanDerWaalsContact O-CG1 3.28Å; T850-I854 WeakPolarHBondContact O-CG1 3.28Å; T850-I854 PolarHBondContact O-N 3.4Å
851	Q	85.6	Confident	79	Confident	103 Å²	103	87.8 Å²	87.8	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175.6	-70.5	176.6	53	0	0	111.9	S847 L848 R849 S853 I854 N855	S847-Q851 WeakPolarHBondContact O-CG 3.49Å; S847-Q851 PolarHBondContact O-N 3.26Å; S847-Q851 PolarHBondContact OG-NE2 2.69Å; S847-Q851 VanDerWaalsContact OG-NE2 3.15Å; L848-Q851 PolarHBondContact O-N 3.41Å; R849-Q851 PolarHBondContact O-N 2.85Å; Q851-S853 PolarHBondContact O-N 3.06Å; Q851-I854 PolarHBondContact O-N 3.16Å; Q851-N855 WeakPolarHBondContact O-CB 3.46Å; Q851-N855 VanDerWaalsContact O-CG 3.3Å; Q851-N855 PolarHBondContact O-N 2.81Å
852	L	81.6	Confident	76.6	Confident	121 Å²	121	93.2 Å²	93.2	63%	0.634	50%	0.5	S	S	*	.	H	α-helix	trans	-59.5	-45.1	174.4	-70.3	164.5	0	0	0	111.6	L848 R849 I854 N855 S856	L848-L852 WeakPolarHBondContact O-CG 3.24Å; L848-L852 PolarHBondContact O-N 3.32Å; R849-L852 PolarHBondContact O-N 2.83Å; L852-I854 PolarHBondContact O-N 3.34Å; L852-N855 PolarHBondContact O-N 2.94Å; L852-S856 PolarHBondContact O-N 3.35Å
853	S	78.9	Confident	73.7	Confident	69 Å²	69	101.8 Å²	101.8	48%	0.483	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-37.2	175.8	-58.3	0	0	0	0	113.4	R849 T850 Q851 N857	R849-S853 PolarHBondContact O-N 2.61Å; R849-S853 PolarHBondContact O-OG 2.83Å; R849-S853 VanDerWaalsContact O-OG 3.09Å; T850-S853 PolarHBondContact O-N 2.9Å; Q851-S853 PolarHBondContact O-N 3.06Å; S853-N857 PolarHBondContact O-N 3.27Å; S853-N857 PolarHBondContact O-ND2 2.83Å
854	I	75.2	Confident	71.4	Confident	82 Å²	82	102 Å²	102	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-69.6	-39.2	176.7	-71.5	166.2	0	0	0	111.2	T850 Q851 L852 R858	T850-I854 HydrophobicContact CG2-CD1 3.95Å; T850-I854 VanDerWaalsContact O-CG1 3.28Å; T850-I854 WeakPolarHBondContact O-CG1 3.28Å; T850-I854 PolarHBondContact O-N 3.4Å; Q851-I854 PolarHBondContact O-N 3.16Å; L852-I854 PolarHBondContact O-N 3.34Å; I854-R858 WeakPolarHBondContact O-CG 3.26Å; I854-R858 PolarHBondContact O-N 2.97Å
855	N	68.4	Low	68.5	Low	92 Å²	92	103.6 Å²	103.6	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-69.5	-42.6	179.6	-72	-11.6	0	0	0	111.8	Q851 L852 N857 R858 S859	Q851-N855 WeakPolarHBondContact O-CB 3.46Å; Q851-N855 VanDerWaalsContact O-CG 3.3Å; Q851-N855 PolarHBondContact O-N 2.81Å; L852-N855 PolarHBondContact O-N 2.94Å; N855-N857 PolarHBondContact O-N 3.29Å; N855-R858 PolarHBondContact O-N 3.26Å; N855-S859 PolarHBondContact O-N 3.41Å; N855-S859 VanDerWaalsContact O-N 3.1Å
856	S	62.4	Low	66.1	Low	86 Å²	86	109.2 Å²	109.2	60%	0.601	59%	0.587	S	S	*	*	H	α-helix	trans	-54.4	-50.4	174.3	-176.8	0	0	0	0	111.5	L852 R858 S859	L852-S856 PolarHBondContact O-N 3.35Å; S856-R858 PolarHBondContact O-N 2.92Å; S856-R858 VanDerWaalsContact O-N 3.08Å; S856-S859 PolarHBondContact O-N 3.07Å
857	N	58.4	Low	63.3	Low	136 Å²	136	112.3 Å²	112.3	73%	0.727	61%	0.605	S	S	*	*	H	α-helix	trans	-68.7	-4.4	177.9	-73.9	-63.5	0	0	0	115.3	S853 N855	S853-N857 PolarHBondContact O-N 3.27Å; S853-N857 PolarHBondContact O-ND2 2.83Å; N855-N857 PolarHBondContact O-N 3.29Å
858	R	55.6	Low	60.8	Low	182 Å²	182	116.1 Å²	116.1	69%	0.687	62%	0.62	S	S	*	*	H	α-helix	trans	-106.9	-20.5	175.4	-75.7	-179.4	172.8	-159.1	-1.7	113.7	I854 N855 S856 S860 N861	I854-R858 WeakPolarHBondContact O-CG 3.26Å; I854-R858 PolarHBondContact O-N 2.97Å; N855-R858 PolarHBondContact O-N 3.26Å; S856-R858 PolarHBondContact O-N 2.92Å; S856-R858 VanDerWaalsContact O-N 3.08Å; R858-S860 PolarHBondContact O-N 3.17Å; R858-S860 VanDerWaalsContact O-N 3.14Å; R858-N861 PolarHBondContact O-N 2.85Å
859	S	50.5	Low	58	Low	94 Å²	94	119.2 Å²	119.2	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-59.8	-26.5	-176.2	-154.7	0	0	0	0	113.2	N855 S856 N861	N855-S859 PolarHBondContact O-N 3.41Å; N855-S859 VanDerWaalsContact O-N 3.1Å; S856-S859 PolarHBondContact O-N 3.07Å; S859-N861 VanDerWaalsContact C-N 3.26Å; S859-N861 PolarHBondContact O-N 2.96Å
860	S	50.8	Low	55.4	Low	98 Å²	98	120.6 Å²	120.6	69%	0.685	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-13.2	-178.8	-37	0	0	0	0	115.8	R858	R858-S860 PolarHBondContact O-N 3.17Å; R858-S860 VanDerWaalsContact O-N 3.14Å
861	N	49.3	Very low	52.6	Low	143 Å²	143	127 Å²	127	77%	0.765	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.8	-5.7	-168.9	-84.8	-72	0	0	0	116.9	R858 S859	R858-N861 PolarHBondContact O-N 2.85Å; S859-N861 VanDerWaalsContact C-N 3.26Å; S859-N861 PolarHBondContact O-N 2.96Å
862	N	46.5	Very low	50.1	Low	126 Å²	126	125.9 Å²	125.9	67%	0.674	68%	0.675	S	S	*	*			trans	-152.3	111	172.2	-88.5	-73.8	0	0	0	111.5	I864	N862-I864 VanDerWaalsContact C-N 3.33Å; N862-I864 HydrophobicContact CB-CG1 4.49Å; N862-I864 PolarHBondContact O-N 3.05Å
863	M	37.3	Very low	47.8	Very low	196 Å²	196	125.4 Å²	125.4	97%	0.966	68%	0.682	S	S	*	*			trans	-73.5	85.3	167.4	-70.8	-164.5	-63.7	0	0	110.4
864	I	47.7	Very low	45.8	Very low	130 Å²	130	129.7 Å²	129.7	67%	0.667	69%	0.693	S	S	*	*			trans	-97.1	114.6	163.4	-60.8	178.9	0	0	0	107.3	N862 L866	N862-I864 VanDerWaalsContact C-N 3.33Å; N862-I864 HydrophobicContact CB-CG1 4.49Å; N862-I864 PolarHBondContact O-N 3.05Å; I864-L866 VanDerWaalsContact C-N 3.26Å; I864-L866 HydrophobicContact CG2-CG 4.41Å; I864-L866 PolarHBondContact O-N 3.34Å
865	N	36.2	Very low	43.6	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	71%	0.711	S	S	*	*			trans	-76.2	74.6	-172.5	-137.9	-23.7	0	0	0	110.9	N867	N865-N867 PolarHBondContact O-N 3.21Å; N865-N867 VanDerWaalsContact O-N 3.09Å
866	L	45.5	Very low	41.9	Very low	123 Å²	123	139.5 Å²	139.5	64%	0.644	73%	0.73	S	S	*	*			trans	-75.9	91.5	172.8	-80	175.6	0	0	0	109.3	I864 L868	I864-L866 VanDerWaalsContact C-N 3.26Å; I864-L866 HydrophobicContact CG2-CG 4.41Å; I864-L866 PolarHBondContact O-N 3.34Å; L866-L868 HydrophobicContact CB-CD1 3.97Å; L866-L868 HydrophobicContact CD2-CD1 4.15Å; L866-L868 PolarHBondContact O-N 3.14Å
867	N	36.1	Very low	40.7	Very low	133 Å²	133	143 Å²	143	71%	0.711	74%	0.742	S	S	*	*			trans	-71.4	56.8	173.6	-168.9	10.6	0	0	0	111.8	N865 Q869	N865-N867 PolarHBondContact O-N 3.21Å; N865-N867 VanDerWaalsContact O-N 3.09Å; N867-Q869 VanDerWaalsContact C-N 3.28Å; N867-Q869 PolarHBondContact O-N 3.31Å
868	L	40.1	Very low	39.4	Very low	137 Å²	137	141.7 Å²	141.7	72%	0.717	74%	0.743	S	S	*	*			trans	-80.6	84.9	161.1	-82	82.4	0	0	0	107.1	L866 P870	L866-L868 HydrophobicContact CB-CD1 3.97Å; L866-L868 HydrophobicContact CD2-CD1 4.15Å; L866-L868 PolarHBondContact O-N 3.14Å; L868-P870 WeakPolarHBondContact O-CD 3.33Å; L868-P870 VanDerWaalsContact O-N 3.07Å
869	Q	32.9	Very low	38.4	Very low	151 Å²	151	141.9 Å²	141.9	71%	0.706	75%	0.751	S	S	*	*			trans	-45.3	113	158.3	-83.8	-80.5	-42	0	0	108.9	N867 K871	N867-Q869 VanDerWaalsContact C-N 3.28Å; N867-Q869 PolarHBondContact O-N 3.31Å; Q869-K871 PolarHBondContact O-N 3.07Å
870	P	35.5	Very low	37.7	Very low	98 Å²	98	142.7 Å²	142.7	64%	0.636	76%	0.757	S	S	*	*			trans	-62.5	125.4	165.3	-12.4	28.2	0	0	0	105.9	L868 S872	L868-P870 WeakPolarHBondContact O-CD 3.33Å; L868-P870 VanDerWaalsContact O-N 3.07Å; P870-S872 PolarHBondContact O-N 3.07Å; P870-S872 PolarHBondContact O-OG 3.2Å
871	K	30.2	Very low	36.9	Very low	205 Å²	205	144 Å²	144	89%	0.891	77%	0.766	S	S	*	*			trans	-76.2	61.9	167.8	-75.9	-168.7	174.5	-175.1	0	109.9	Q869 S873	Q869-K871 PolarHBondContact O-N 3.07Å; K871-S873 VanDerWaalsContact C-N 3.35Å; K871-S873 PolarHBondContact O-N 3.47Å
872	S	32.5	Very low	36.4	Very low	80 Å²	80	143 Å²	143	56%	0.559	77%	0.77	S	S	*	*			trans	-59.7	101.3	156.6	39.1	0	0	0	0	107.1	P870 F874	P870-S872 PolarHBondContact O-N 3.07Å; P870-S872 PolarHBondContact O-OG 3.2Å; S872-F874 PolarHBondContact O-N 2.92Å
873	S	34.9	Very low	35.9	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	78%	0.776	S	S	*	*	S	Bend	trans	-76.4	50.6	-178.5	63.8	0	0	0	0	111.7	K871	K871-S873 VanDerWaalsContact C-N 3.35Å; K871-S873 PolarHBondContact O-N 3.47Å
874	F	35.6	Very low	35.7	Very low	160 Å²	160	140.4 Å²	140.4	70%	0.702	77%	0.768	S	S	*	*			trans	-155.2	76	-175.3	-87	-85.3	0	0	0	107.6	S872	S872-F874 PolarHBondContact O-N 2.92Å
875	D	30.2	Very low	35.2	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	78%	0.776	S	S	*	*			trans	-174.7	45.9	163.5	-96.3	-24.8	0	0	0	111.6
876	Y	32.5	Very low	35	Very low	230 Å²	230	140.6 Å²	140.6	90%	0.902	77%	0.768	S	S	*	*			trans	-136.6	33.2	179.2	-88.3	-71.1	0	0	0	113.2
877	L	35.5	Very low	34.6	Very low	161 Å²	161	140.6 Å²	140.6	84%	0.843	78%	0.775	S	S	*	*	S	Bend	trans	-141	55.7	174.3	-76.8	179.6	0	0	0	112.5
878	S	31.9	Very low	34.3	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	78%	0.781	S	S	*	*			trans	-163.3	140.4	161.1	-84.9	0	0	0	0	109.8
879	Q	35.8	Very low	34.2	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	78%	0.78	S	S	*	*			trans	67.2	129.6	-179.9	-52.3	176.9	30.9	0	0	113.3
880	S	34.1	Very low	34.3	Very low	111 Å²	111	136 Å²	136	78%	0.776	78%	0.782	S	S	*	*			cis	-147.8	145.6	1.6	-72.6	0	0	0	0	111
881	S	34	Very low	34.4	Very low	125 Å²	125	136.5 Å²	136.5	87%	0.874	79%	0.787	S	S	*	*			trans	-138.2	84.4	176.1	61.3	0	0	0	0	112.3
882	S	39	Very low	34.9	Very low	122 Å²	122	132.5 Å²	132.5	85%	0.853	78%	0.78	S	S	*	*			trans	-154.6	153.2	168.9	52.6	0	0	0	0	112.3
883	S	36.5	Very low	35.3	Very low	115 Å²	115	140 Å²	140	80%	0.804	80%	0.796	S	S	*	*			trans	-72.1	139.1	-156.4	-56.6	0	0	0	0	117.4
884	I	33.2	Very low	35.4	Very low	153 Å²	153	139.2 Å²	139.2	79%	0.785	79%	0.79	S	S	*	*				6.2	116.4	127.1	-55.8	169.4	0	0	0	115.5
885	H	36.7	Very low	35.6	Very low	181 Å²	181	138.3 Å²	138.3	84%	0.838	79%	0.792	S	S	*	*				-157.6	147	125.4	-126.9	-80.8	0	0	0	112.7
886	V	32.6	Very low	36.2	Very low	114 Å²	114	137.3 Å²	137.3	69%	0.691	79%	0.786	S	S	*	*			trans	-111.8	152.4	167.2	-134.8	0	0	0	0	107.5
887	P	36.4	Very low	36.5	Very low	124 Å²	124	132.4 Å²	132.4	81%	0.805	78%	0.78	S	S	*	*				-149.5	167.7	83.9	39.4	-20.8	0	0	0	117.8
888	T	30.3	Very low	36.6	Very low	134 Å²	134	128.6 Å²	128.6	82%	0.822	77%	0.772	S	S	*	*			trans	-45.3	138.4	169.4	-47.3	0	0	0	0	117.4
889	A	36.9	Very low	36.9	Very low	84 Å²	84	128.3 Å²	128.3	69%	0.694	77%	0.77	S	S	*	*				168.8	130.4	120	0	0	0	0	0	116.5
890	S	36.7	Very low	36.9	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	76%	0.763	S	S	*	*			trans	28.6	123.1	147.6	58.8	0	0	0	0	123.1
891	S	37.6	Very low	37	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	76%	0.763	S	S	*	*				174	115.6	101.1	-75.9	0	0	0	0	116.9
892	T	39.4	Very low	37.3	Very low	121 Å²	121	124.5 Å²	124.5	74%	0.742	76%	0.761	S	S	*	*			trans	34.9	126.8	140.8	58.1	0	0	0	0	125
893	R	40.6	Very low	37.4	Very low	238 Å²	238	124.4 Å²	124.4	90%	0.898	76%	0.76	S	S	*	*			trans	70.8	150.4	144.8	-64.7	176.4	174.7	-173.3	-2.7	116.4
894	S	38.6	Very low	37.5	Very low	93 Å²	93	125.2 Å²	125.2	65%	0.65	76%	0.76	S	S	*	*			cis	-153.8	145.3	30.2	-114.3	0	0	0	0	113.7
895	L	39.7	Very low	37.6	Very low	142 Å²	142	127.2 Å²	127.2	74%	0.743	76%	0.763	S	S	*	*				52.6	143.1	124.8	-56.8	-172	0	0	0	121.1
896	L	41.4	Very low	37.8	Very low	128 Å²	128	124.6 Å²	124.6	67%	0.67	76%	0.763	S	S	*	*			cis	-168	141.2	10.5	-114.4	166.1	0	0	0	113.3
897	T	40.1	Very low	38	Very low	127 Å²	127	131.4 Å²	131.4	78%	0.779	78%	0.776	S	S	*	*			trans	55.9	160.4	147.8	47.5	0	0	0	0	122.2
898	A	37.7	Very low	38.2	Very low	81 Å²	81	129.2 Å²	129.2	67%	0.669	78%	0.776	S	S	*	*			cis	-149.2	134	5.6	0	0	0	0	0	110.4
899	S	37.8	Very low	38.6	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	78%	0.779	S	S	*	*				85.9	110	82.2	81.4	0	0	0	0	114.6
900	S	35.8	Very low	38.8	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	78%	0.778	S	S	*	*				96	142.6	83.8	67.3	0	0	0	0	113.4
901	S	36.4	Very low	38.7	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	78%	0.779	S	S	*	*			cis	-165.6	162.8	-6.6	-94.8	0	0	0	0	110.5
902	P	38.9	Very low	38.7	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	78%	0.78	S	S	*	*			trans	-79.9	162.3	178.6	34.2	-36.8	0	0	0	113.8
903	S	42.5	Very low	38.6	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	77%	0.774	S	S	*	*			trans	-147.7	167.9	177.9	63.5	0	0	0	0	113.9
904	V	38.9	Very low	38.5	Very low	132 Å²	132	134.5 Å²	134.5	80%	0.8	76%	0.762	S	S	*	*			trans	-125.9	156.6	-165.6	173.8	0	0	0	0	111.8
905	F	34.8	Very low	38.4	Very low	196 Å²	196	135.4 Å²	135.4	86%	0.86	76%	0.76	S	S	*	*			trans	-44.1	153.7	-178.1	-57.5	-87.7	0	0	0	118.1
906	P	41.7	Very low	38.4	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	76%	0.757	S	S	*	*			trans	-117.4	175.2	134.6	31.8	-19.7	0	0	0	113.4
907	R	36.8	Very low	38.3	Very low	257 Å²	257	135.6 Å²	135.6	97%	0.97	75%	0.753	S	S	*	*			trans	-100.8	164.7	-168.2	-51.6	177.9	-175.3	-172.3	0.9	113.8
908	G	39.2	Very low	38.1	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	75%	0.746	S	S	*	*			trans	-164.8	144.2	165	0	0	0	0	0	112.5
909	D	38.9	Very low	38	Very low	166 Å²	166	138.9 Å²	138.9	89%	0.888	75%	0.746	S	S	*	*			trans	-97.4	165.4	-170.9	-102.1	-50	0	0	0	114.6
910	P	41	Very low	37.9	Very low	103 Å²	103	141 Å²	141	67%	0.669	75%	0.745	S	S	*	*			trans	-105.7	167.4	-175.6	40.3	-34.9	0	0	0	115
911	R	34.7	Very low	37.9	Very low	208 Å²	208	143.2 Å²	143.2	79%	0.785	74%	0.743	S	S	*	*			trans	163.5	156.2	136.6	-94.6	-179.1	-145.8	-143.3	9.4	114.2
912	Y	36.9	Very low	37.8	Very low	198 Å²	198	143.5 Å²	143.5	78%	0.776	75%	0.745	S	S	*	*			trans	61.2	161.2	158	-72.5	-56	0	0	0	116.8
913	S	38.4	Very low	37.4	Very low	86 Å²	86	143 Å²	143	60%	0.601	74%	0.744	S	S	*	*			cis	-164.6	175.3	-32	-139.8	0	0	0	0	105.8
914	E	37.6	Very low	37	Very low	141 Å²	141	142.7 Å²	142.7	66%	0.659	74%	0.742	S	S	*	*			cis	-170.5	175.5	2.2	-149.5	162.3	92.4	0	0	110.3
915	N	37.3	Very low	36.7	Very low	112 Å²	112	147.6 Å²	147.6	60%	0.599	75%	0.746	S	S	*	*			trans	64.4	155.5	157.2	-62.7	-47	0	0	0	117.7
916	Q	40	Very low	36.7	Very low	145 Å²	145	147.7 Å²	147.7	68%	0.678	75%	0.749	S	S	*	*			cis	-162.2	173.2	-20	-104.3	176.6	48.4	0	0	106.1
917	H	39.4	Very low	36.2	Very low	129 Å²	129	146.9 Å²	146.9	60%	0.597	75%	0.746	S	S	*	*			cis	-154	-165.4	11.2	-147.5	41.8	0	0	0	112.9
918	Q	35.7	Very low	36.1	Very low	133 Å²	133	143 Å²	143	62%	0.621	74%	0.744	S	S	*	*			trans	-35.9	168.7	158.7	-71.8	176.4	18.3	0	0	118.5
919	Q	35.7	Very low	35.7	Very low	145 Å²	145	147 Å²	147	68%	0.678	74%	0.741	S	S	*	*			cis	-163.9	164.8	14.1	-121.4	176.9	72.1	0	0	107
920	Q	35.5	Very low	35.8	Very low	143 Å²	143	144.7 Å²	144.7	67%	0.668	74%	0.735	S	S	*	*			cis	-158.3	-118.9	-10.1	-141.2	-175.7	38.1	0	0	115.5
921	H	36.6	Very low	35.4	Very low	152 Å²	152	145.5 Å²	145.5	70%	0.704	73%	0.734	S	S	*	*			trans	-99.7	178.4	-168.6	-54.8	-57.1	0	0	0	113.9
922	S	34	Very low	35.4	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	73%	0.734	S	S	*	*			cis	-154	168.6	22.2	-50.3	0	0	0	0	114.3
923	C	30.4	Very low	35.2	Very low	117 Å²	117	141.3 Å²	141.3	79%	0.791	73%	0.734	S	S	*	*			trans	-66.6	166.2	166.3	-56.4	0	0	0	0	111.5
924	S	33.8	Very low	35	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	75%	0.745	S	S	*	*				-169.8	167.1	57.5	-67.5	0	0	0	0	115.9
925	R	32	Very low	34.8	Very low	235 Å²	235	141 Å²	141	89%	0.887	75%	0.747	S	S	*	*			trans	-33.8	147.8	162.5	-57.1	167.5	168.3	-176.7	-5.5	114.9
926	Q	34.7	Very low	34.6	Very low	197 Å²	197	147.1 Å²	147.1	92%	0.921	76%	0.763	S	S	*	*				-161.7	156.5	104	-103.7	171	38.1	0	0	112
927	S	30.9	Very low	34.4	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	77%	0.767	S	S	*	*			trans	-118.6	142.6	-178.2	54.1	0	0	0	0	109.9
928	L	35.1	Very low	34.8	Very low	175 Å²	175	145 Å²	145	92%	0.916	78%	0.776	S	S	*	*			trans	-158.2	133.7	156.2	-105	164.6	0	0	0	110.6
929	H	30.3	Very low	34.9	Very low	162 Å²	162	149.5 Å²	149.5	75%	0.75	79%	0.788	S	S	*	*			trans	-87.5	152.5	161.7	-114.7	-98.6	0	0	0	107.8
930	P	42.5	Very low	34.9	Very low	118 Å²	118	148.7 Å²	148.7	77%	0.766	80%	0.795	S	S	*	*				-138.6	157.2	69.8	42.2	-26.8	0	0	0	112.7
931	N	31.2	Very low	35	Very low	120 Å²	120	148.4 Å²	148.4	64%	0.642	80%	0.803	S	S	*	*				57.6	104.2	57.4	-168.4	28.1	0	0	0	115.7
932	I	35.4	Very low	34.9	Very low	151 Å²	151	146.6 Å²	146.6	77%	0.774	81%	0.807	S	S	*	*			trans	-177.3	155.4	130.3	-95.8	157.5	0	0	0	110.2
933	Q	33	Very low	35.6	Very low	166 Å²	166	147.3 Å²	147.3	78%	0.776	81%	0.809	S	S	*	*			trans	-77.1	156.4	-170	-48	112.8	-44.3	0	0	114.4
934	S	33.8	Very low	35.9	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	81%	0.813	S	S	*	*				-161.5	151.1	119.7	48.5	0	0	0	0	112.2
935	S	33.4	Very low	35.8	Very low	101 Å²	101	149.1 Å²	149.1	71%	0.706	81%	0.809	S	S	*	*			trans	-88	145.6	-172.1	52.7	0	0	0	0	113.9
936	Y	34.3	Very low	36	Very low	240 Å²	240	147.4 Å²	147.4	94%	0.941	81%	0.814	S	S	*	*			trans	-144.5	155.2	147.2	-88.6	-68.8	0	0	0	111.9
937	S	35.1	Very low	35.9	Very low	107 Å²	107	148.1 Å²	148.1	75%	0.748	81%	0.808	S	S	*	*			trans	-105.4	139	-170.1	178.1	0	0	0	0	112.4
938	P	47.8	Very low	36.1	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82	119.4	176.2	32.2	-32.3	0	0	0	112.2
939	R	36.9	Very low	36.1	Very low	227 Å²	227	148.9 Å²	148.9	86%	0.857	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.7	144.9	157.3	-78.2	-174.5	175.3	-126.1	2.5	109.8
940	P	37.2	Very low	36.2	Very low	129 Å²	129	149 Å²	149	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.4	141.8	171.3	31.9	-33.9	0	0	0	111.2
941	V	37.4	Very low	36	Very low	137 Å²	137	150.6 Å²	150.6	83%	0.83	81%	0.806	S	S	*	*			trans	-139.7	136.5	168	-77.1	0	0	0	0	109.8
942	S	34.6	Very low	36.2	Very low	114 Å²	114	150 Å²	150	80%	0.797	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83.4	139.3	-174.6	-46.6	0	0	0	0	112.2
943	P	47.4	Very low	36.2	Very low	131 Å²	131	150.5 Å²	150.5	85%	0.851	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.2	121.9	164.8	-9.4	26.4	0	0	0	110.4
944	L	37	Very low	36.4	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.8	138.3	167.8	-91.8	165.8	0	0	0	110.8
945	S	32	Very low	36.5	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	81%	0.813	S	S	*	*			trans	26.4	116.3	148.1	-167.6	0	0	0	0	119.5
946	M	36.8	Very low	36.6	Very low	198 Å²	198	155.3 Å²	155.3	98%	0.975	82%	0.822	S	S	*	*			trans	-140.8	158.5	142.5	-124.4	-174.6	-72.4	0	0	111.1
947	R	31	Very low	37	Very low	213 Å²	213	149 Å²	149	80%	0.804	81%	0.811	S	S	*	*			trans	-143.2	120.7	-148.7	168.4	-173.1	174.5	155.6	0.5	113.4
948	A	36.1	Very low	37.2	Very low	98 Å²	98	149.4 Å²	149.4	81%	0.81	81%	0.812	S	S	*	*			trans	-166.4	166.4	155.8	0	0	0	0	0	112
949	R	35.6	Very low	36.5	Very low	202 Å²	202	150.8 Å²	150.8	76%	0.762	81%	0.812	S	S	*	*				-173.6	146.9	-56.7	-144.6	-179.5	179.2	177.3	-1.3	108.1
950	M	32.4	Very low	36.5	Very low	165 Å²	165	146.7 Å²	146.7	81%	0.813	81%	0.806	S	S	*	*			trans	72	155.7	174.4	-46.6	176.1	-71.3	0	0	113
951	I	37.8	Very low	36.4	Very low	151 Å²	151	146.8 Å²	146.8	77%	0.774	80%	0.799	S	S	*	*			cis	-139.9	105.4	20.3	-67.3	171.6	0	0	0	108.2
952	T	35.2	Very low	36.3	Very low	108 Å²	108	147.1 Å²	147.1	66%	0.663	79%	0.793	S	S	*	*				62.2	138.9	106.1	68.7	0	0	0	0	120.3
953	N	34.9	Very low	36.4	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	78%	0.782	S	S	*	*			trans	80.5	145.7	167.5	-52.7	-10	0	0	0	116.2
954	S	37.6	Very low	36	Very low	120 Å²	120	148 Å²	148	84%	0.839	78%	0.777	S	S	*	*			cis	-137.6	167.6	5.3	54.7	0	0	0	0	113.4
955	E	35.4	Very low	36	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	77%	0.77	S	S	*	*			trans	-100.2	161	-171.5	-55.5	166.6	117.6	0	0	114
956	H	36.8	Very low	36.3	Very low	195 Å²	195	146 Å²	146	90%	0.903	78%	0.777	S	S	*	*			trans	-168.3	109.6	147.4	-105.1	-63.9	0	0	0	112.8
957	P	41.3	Very low	36.3	Very low	108 Å²	108	139.6 Å²	139.6	70%	0.701	76%	0.761	S	S	*	*			trans	-139.9	157.2	161.8	38.8	-24.4	0	0	0	115.5
958	C	39.3	Very low	36.4	Very low	115 Å²	115	137.4 Å²	137.4	78%	0.777	76%	0.76	S	S	*	*			trans	-136.2	153.2	167.8	-55.4	0	0	0	0	108.4
959	L	33.6	Very low	36.5	Very low	151 Å²	151	139 Å²	139	79%	0.791	75%	0.754	S	S	*	*			cis	74.2	139.4	23.6	-50	178.6	0	0	0	113
960	I	36.5	Very low	36.5	Very low	142 Å²	142	137.2 Å²	137.2	73%	0.728	75%	0.752	S	S	*	*			cis	-149.4	155.5	-1.8	-135.7	163.7	0	0	0	106.3
961	N	35.7	Very low	36.7	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	74%	0.742	S	S	*	*				-168.7	175.9	61.5	-152.6	9.5	0	0	0	115.3
962	M	35.7	Very low	36.5	Very low	143 Å²	143	135 Å²	135	70%	0.704	74%	0.74	S	S	*	*			trans	-38.6	163.6	156	-59.2	-73.9	-153.1	0	0	116.7
963	N	36.8	Very low	36.4	Very low	106 Å²	106	135.7 Å²	135.7	57%	0.567	74%	0.739	S	S	*	*			cis	-167.9	169.8	2.2	-127.1	-20.6	0	0	0	114.6
964	H	38.1	Very low	36.6	Very low	159 Å²	159	135.6 Å²	135.6	74%	0.736	73%	0.731	S	S	*	*			trans	66.2	142.2	153.2	-61.5	-32.7	0	0	0	119
965	S	37.9	Very low	36.4	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	73%	0.731	S	S	*	*			cis	-153.2	153.5	6.1	-99.7	0	0	0	0	114.2
966	S	37	Very low	36.4	Very low	124 Å²	124	135.9 Å²	135.9	87%	0.867	73%	0.726	S	S	*	*			trans	14.9	144.5	149.4	-49.9	0	0	0	0	122.5
967	G	37.5	Very low	36.5	Very low	63 Å²	63	132.1 Å²	132.1	65%	0.649	72%	0.72	S	S	*	*			cis	-170.6	164.7	5.5	0	0	0	0	0	112.8
968	Q	34.4	Very low	36.2	Very low	166 Å²	166	132.4 Å²	132.4	78%	0.776	72%	0.724	S	S	*	*				64.9	119	95.7	-68	-96.7	13.8	0	0	112.6
969	L	36.5	Very low	35.7	Very low	131 Å²	131	134.4 Å²	134.4	69%	0.686	73%	0.725	S	S	*	*			cis	-150.6	149	31.6	-86.7	139.9	0	0	0	111.6
970	K	36.4	Very low	35.9	Very low	166 Å²	166	135.9 Å²	135.9	72%	0.722	73%	0.728	S	S	*	*				44.8	141.1	101.9	-60.6	-172.1	-168.7	172.3	0	116.2
971	N	36.1	Very low	35.7	Very low	113 Å²	113	136.1 Å²	136.1	60%	0.604	73%	0.73	S	S	*	*			cis	-162.5	167.2	12.3	-127	16.9	0	0	0	112.4
972	Q	34.1	Very low	35.8	Very low	156 Å²	156	135.8 Å²	135.8	73%	0.729	74%	0.739	S	S	*	*			trans	25.7	143.5	136.1	-68.1	171	-19.2	0	0	120.7
973	D	33.8	Very low	35.7	Very low	122 Å²	122	134 Å²	134	65%	0.652	74%	0.74	S	S	*	*			cis	-168.1	171.5	12.2	-136.3	-27.3	0	0	0	114.3
974	K	37.5	Very low	35.6	Very low	159 Å²	159	135 Å²	135	69%	0.691	75%	0.746	S	S	*	*			trans	64.5	110.9	150.5	-70	172.2	-173.2	175.6	0	124.2
975	F	33.4	Very low	35.3	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.833	75%	0.746	S	S	*	*				73.6	157.3	129.4	-70.6	-53.6	0	0	0	122
976	P	36.8	Very low	35	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	74%	0.74	S	S	*	*			trans	-134.3	-143.8	-146.1	33.6	-6	0	0	0	112.5
977	P	38.9	Very low	34.9	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	74%	0.737	S	S	*	*				-120.7	153.5	-78.4	35.2	-21.4	0	0	0	113.4
978	S	33.4	Very low	34.7	Very low	113 Å²	113	146.2 Å²	146.2	79%	0.79	74%	0.742	S	S	*	*			trans	-153.3	108.5	162.5	63	0	0	0	0	114
979	I	30.5	Very low	34.8	Very low	158 Å²	158	145.1 Å²	145.1	81%	0.81	74%	0.74	S	S	*	*			trans	17.5	117.9	141	-52.9	166.2	0	0	0	116.9
980	H	36.1	Very low	34.7	Very low	181 Å²	181	145.9 Å²	145.9	84%	0.838	74%	0.743	S	S	*	*			trans	-153.1	134.7	131.8	-128.5	-72.9	0	0	0	112.3
981	N	33.3	Very low	34.6	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	74%	0.744	S	S	*	*			trans	-70.2	141.4	168.5	-77.8	-8.2	0	0	0	110.5
982	S	37.8	Very low	34.5	Very low	125 Å²	125	146.7 Å²	146.7	87%	0.874	75%	0.753	S	S	*	*			trans	-141.8	130.1	153.8	-80.5	0	0	0	0	108.8
983	S	33.2	Very low	34.5	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	76%	0.755	S	S	*	*			trans	-79.1	177.4	-178.6	-52.7	0	0	0	0	113.3
984	D	34.3	Very low	34.5	Very low	128 Å²	128	147.8 Å²	147.8	68%	0.684	76%	0.762	S	S	*	*			trans	101.5	120.3	149.4	-61.7	-11.5	0	0	0	119.8
985	R	32	Very low	34.3	Very low	197 Å²	197	146.9 Å²	146.9	74%	0.743	77%	0.767	S	S	*	*			trans	73.8	125.8	163.1	-55.5	163.5	-84	-168.6	-11.9	114.2
986	Y	33.1	Very low	34.4	Very low	153 Å²	153	143.3 Å²	143.3	60%	0.6	76%	0.762	S	S	*	*			cis	-155.3	140.5	44.2	-97.4	-80.7	0	0	0	114.9	K216	K216-Y986 VanDerWaalsContact CE-CG 3.48Å; K216-Y986 VanDerWaalsContact NZ-CG 3.34Å
987	K	33.1	Very low	34.1	Very low	186 Å²	186	146.4 Å²	146.4	81%	0.809	77%	0.766	S	S	*	*			trans	62	0	170.3	-78.8	-167.1	167.3	-164.9	0	114.9	N214 G215	N214-K987 VanDerWaalsContact CG-CB 3.47Å; N214-K987 WeakPolarHBondContact ND2-CB 3.36Å; N214-K987 PolarHBondContact ND2-O 3.24Å; N214-K987 WeakPolarHBondContact OD1-CB 3.38Å; N214-K987 WeakPolarHBondContact OD1-CD 3.43Å; G215-K987 PolarHBondContact O-NZ 3.03Å

Retrieved 987 of 987 residues in 886.7 ms (Link to these results)

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