A0A061IFX5_CRIGR Loading...

Poly [ADP-ribose] polymerase

Mono-ADP-ribosyltransferase that mediates mono-ADP-ribosylation of target proteins.

AlphaFold DB , UniProt , Accession A0A061IFX5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Parp8, Length 891 aa.

						>A0A061IFX5_CRIGR|A0A061IFX5|Parp8
MQSRPPPPPPPPPPPPLSPGITSETTSPSAPASARGIYLMGMCSRQERIQKDIDVVIQKSRAEKDCLFADFRYSDSTFTFTYVGGPKSVSYSVHVSEDYPDNTYVSSSENDEDVLVTTDPIPVIFHRIATELRKTNDINCCLSIRSKLQKENGEESRQNSTVEEDSEGDNDSEEFYYGGQVNYDGELHKHPQLEADLSAVREIYGPHAVSLREYGAIDDVDIDLHIDVSFLDEEIAVAWEVIRTEPIIVRLHCSLTQYLNGPVPTVDVFQISTKERFGLGHQLKKIMQTFVTQQWKQSKEKSSCLHGKKLSEKKVKSPLHLFSTLRRSPSYPPPGCGKSKSKLKSEQDGISKTHKLLRRTCSSTVKADDVCAKSHRTFGRSLSSDPRAEQAMSTIKSHKLLGRPCPTAGKQEDCLTLKSHKLLTRSCSGDPRCEHNTNLKPHKLLSRSYSSNLRMEELYGLKNHKLLSKSYSGAPKSSKNEHFKEPNAEGRRLSLTSGLIGILTPSSSSSQPPTNGAKCIPIRDRGFLVQTIEFAEQRIPVLNEYCVVCDEPHVFQNGPMLRPTVCERELCVFAFQTLGVMNEAADEIATGAQVVDLLVSMCRSALESPRKVVIFEPYPSVVDPNDPQMLAFNPRKKNYDRVMKALDSITSIREMTQAPYLEIKKQMDKQDPLAHPLLQWVISSNRSHIVKLPVNRQLKFMHTPHQFLLLSSPPAKESNFRAAKKLFGSTFAFHGSHIENWHSILRNGLVVASNTRLQLHGAMYGSGIYLSPMSSISFGYSGMNKKQKVSTKDEPASSSKNSNASQSQKKGQQSQFLQSRNLKCIALCEVITSPDLHKHGEIWVVPNTDHVCTRFFFVYEDGQVGDANINTQEGGIHKEILRVIGNQTATG
					

Structure Viewer

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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	43.3	Very low	50.5	Low	241 Å²	241	146.3 Å²	146.3	100%	1.187	83%	0.83	S	S	*	*				0	163.7	0	-144.9	-173.9	-168.6	0	0	108.3
2	Q	38.1	Very low	50.5	Low	192 Å²	192	144.2 Å²	144.2	90%	0.897	83%	0.826	S	S	*	*			trans	67.4	152.3	-172.7	-58.8	-172	-5	0	0	115
3	S	38.8	Very low	50.1	Low	115 Å²	115	142.1 Å²	142.1	80%	0.804	82%	0.821	S	S	*	*			trans	-143.5	155.8	-150.7	42	0	0	0	0	112.4
4	R	51.1	Low	49.7	Very low	240 Å²	240	140.4 Å²	140.4	91%	0.906	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.8	145.5	173.4	-93	-174.8	171.7	-174.8	-2.3	111.6
5	P	54.7	Low	49.3	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.9	156.9	167	32.3	-35	0	0	0	111.8
6	P	55.3	Low	48.5	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.8	162	180	34.2	-36.4	0	0	0	113.6
7	P	55.7	Low	47.8	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.9	162.5	173.1	33.6	-36.1	0	0	0	113.2
8	P	54.9	Low	46.9	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.8	159.6	178.1	32.2	-36.3	0	0	0	113.7
9	P	57.1	Low	46.6	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.6	159.8	-179.4	33.6	-36.6	0	0	0	114.1
10	P	52.7	Low	45.8	Very low	119 Å²	119	134.9 Å²	134.9	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.5	162.9	176.9	33.4	-36.5	0	0	0	113.8
11	P	53.6	Low	45.1	Very low	119 Å²	119	136 Å²	136	77%	0.773	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.1	160.5	179	32	-36.5	0	0	0	114
12	P	50.3	Low	44.4	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.4	158.2	-178.9	33.4	-36.4	0	0	0	114.1
13	P	45.6	Very low	44	Very low	117 Å²	117	125.4 Å²	125.4	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.6	161.5	179.5	34.1	-36.6	0	0	0	114
14	P	44.8	Very low	43.5	Very low	118 Å²	118	128.4 Å²	128.4	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-77.4	160.6	177.8	32.7	-36.4	0	0	0	113.9
15	P	42.9	Very low	42.2	Very low	117 Å²	117	122.3 Å²	122.3	76%	0.76	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-78.7	159	179.1	33.1	-36.2	0	0	0	113.9
16	P	37	Very low	41	Very low	130 Å²	130	123.7 Å²	123.7	84%	0.844	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-84.2	164.8	-175.4	34.5	-37	0	0	0	115
17	L	36.6	Very low	39.4	Very low	167 Å²	167	123.3 Å²	123.3	87%	0.874	78%	0.779	S	S	*	*			trans	-112.1	171.5	179.1	-81.7	167.1	0	0	0	113.1
18	S	31.5	Very low	38.6	Very low	117 Å²	117	123.2 Å²	123.2	82%	0.818	78%	0.779	S	S	*	*			trans	92.8	158.7	170.1	-38.8	0	0	0	0	116.4
19	P	41	Very low	37.1	Very low	129 Å²	129	123.6 Å²	123.6	84%	0.838	78%	0.784	S	S	*	*			cis	-120.9	-178.1	-7.4	38.8	-23.6	0	0	0	113.8
20	G	31.3	Very low	35.5	Very low	72 Å²	72	122.6 Å²	122.6	74%	0.742	79%	0.786	S	S	*	*			trans	-124.1	162.5	177	0	0	0	0	0	114.1
21	I	29.9	Very low	34.7	Very low	158 Å²	158	123 Å²	123	81%	0.81	79%	0.788	S	S	*	*			trans	-142	114.9	-173.3	-67.5	-175.3	0	0	0	113.2
22	T	29.5	Very low	33.3	Very low	119 Å²	119	122.1 Å²	122.1	73%	0.73	79%	0.791	S	S	*	*			trans	37.8	132.8	145.9	69.4	0	0	0	0	126.2
23	S	29.1	Very low	32.3	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	80%	0.797	S	S	*	*				72.1	120.1	126.7	66.6	0	0	0	0	124.4
24	E	27.9	Very low	31.4	Very low	178 Å²	178	121.7 Å²	121.7	83%	0.832	80%	0.8	S	S	*	*			trans	53.3	156.6	132.3	-49.2	-168.9	127.6	0	0	120.8
25	T	25.8	Very low	30.8	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	81%	0.808	S	S	*	*			cis	-153.7	165	10.5	-21.2	0	0	0	0	112.1
26	T	27.5	Very low	30	Very low	141 Å²	141	125.6 Å²	125.6	87%	0.865	81%	0.806	S	S	*	*			trans	70.6	147.7	155.9	35.9	0	0	0	0	122.8
27	S	23.6	Very low	29.6	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	80%	0.803	S	S	*	*			trans	-105.3	-169.2	177.3	63.1	0	0	0	0	110.3
28	P	37.6	Very low	29.1	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	80%	0.803	S	S	*	*			cis	-136.4	173.5	-0.1	42.9	-26.3	0	0	0	116.2
29	S	24.6	Very low	29	Very low	125 Å²	125	131.6 Å²	131.6	87%	0.874	81%	0.805	S	S	*	*			trans	-177.9	149.7	136.9	39.7	0	0	0	0	113.7
30	A	23.4	Very low	28.7	Very low	97 Å²	97	135.2 Å²	135.2	80%	0.802	81%	0.813	S	S	*	*			trans	-156.9	171.1	168.6	0	0	0	0	0	107.6
31	P	34.7	Very low	28.7	Very low	127 Å²	127	134.8 Å²	134.8	83%	0.825	81%	0.808	S	S	*	*			cis	-121.4	169.7	-7.5	40.1	-27.5	0	0	0	113.2
32	A	23.8	Very low	29	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	82%	0.815	S	S	*	*			trans	-145.3	118.7	164.9	0	0	0	0	0	111.1
33	S	30.2	Very low	29.8	Very low	130 Å²	130	133.5 Å²	133.5	91%	0.909	80%	0.799	S	S	*	*			trans	-79.6	131.3	178.9	67.6	0	0	0	0	111.8
34	A	25.8	Very low	31.7	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	78%	0.784	S	S	*	*			trans	-130.4	130.5	165.4	0	0	0	0	0	110	G36	A34-G36 PolarHBondContact O-N 3.41Å
35	R	33.7	Very low	34.1	Very low	248 Å²	248	126.3 Å²	126.3	94%	0.936	76%	0.758	S	S	*	*			trans	-76.6	114.8	-179.7	-69.3	171.7	172.1	160.8	-4.7	110.1
36	G	26	Very low	36.6	Very low	69 Å²	69	124.7 Å²	124.7	71%	0.711	74%	0.742	S	S	*	*			trans	-71.8	134.5	164.2	0	0	0	0	0	110.8	A34	A34-G36 PolarHBondContact O-N 3.41Å
37	I	27.4	Very low	39.1	Very low	155 Å²	155	123 Å²	123	80%	0.795	72%	0.724	S	S	*	*			trans	-96.9	120.6	176.5	-64.8	171.1	0	0	0	108	L39	I37-L39 PolarHBondContact O-N 3.32Å
38	Y	26.8	Very low	41.8	Very low	221 Å²	221	123.1 Å²	123.1	87%	0.867	71%	0.708	S	S	*	*			trans	-66.8	115.5	176.2	-80.1	-91.5	0	0	0	111.1
39	L	28.8	Very low	44	Very low	165 Å²	165	117.7 Å²	117.7	86%	0.864	67%	0.672	S	S	*	*			trans	-91.8	119.8	157	-81.5	164.1	0	0	0	107.5	I37 G41	I37-L39 PolarHBondContact O-N 3.32Å; L39-G41 PolarHBondContact O-N 3.33Å
40	M	35.5	Very low	46.9	Very low	205 Å²	205	115.3 Å²	115.3	100%	1.01	65%	0.648	S	S	*	*			trans	-83.4	67.9	-177.1	-156.2	167.8	-167.8	0	0	110.5
41	G	30.6	Very low	49.9	Very low	62 Å²	62	117.3 Å²	117.3	64%	0.639	64%	0.638	S	S	*	*			trans	-87.6	169.8	171	0	0	0	0	0	112.3	L39 C43	L39-G41 PolarHBondContact O-N 3.33Å; G41-C43 PolarHBondContact O-N 3.2Å
42	M	37.2	Very low	52.5	Low	191 Å²	191	112.9 Å²	112.9	94%	0.941	61%	0.607	S	S	*	*			trans	-63.7	116.4	171.9	-65.6	166.1	69	0	0	109.2	S44	M42-S44 PolarHBondContact O-N 3.09Å; M42-S44 VanDerWaalsContact O-N 3.16Å
43	C	46.2	Very low	55.7	Low	60 Å²	60	108.2 Å²	108.2	41%	0.405	57%	0.569	S	S	.	*			trans	-62.1	115.5	-177.4	-170.3	0	0	0	0	110	G41 E47 R48	G41-C43 PolarHBondContact O-N 3.2Å; C43-E47 WeakPolarHBondContact CA-OE2 3.47Å; C43-E47 WeakPolarHBondContact SG-CB 3.36Å; C43-R48 HydrophobicContact CB-CG 4.19Å
44	S	68.3	Low	58.4	Low	48 Å²	48	105.8 Å²	105.8	34%	0.336	55%	0.545	S	S	.	.			trans	-62.7	157.2	-175.7	71.7	0	0	0	0	111.3	M42 Q46 E47 R48	M42-S44 PolarHBondContact O-N 3.09Å; M42-S44 VanDerWaalsContact O-N 3.16Å; S44-Q46 PolarHBondContact O-N 3.39Å; S44-Q46 VanDerWaalsContact O-N 3.15Å; S44-E47 WeakPolarHBondContact CB-OE1 3.33Å; S44-E47 PolarHBondContact N-OE1 3.13Å; S44-E47 PolarHBondContact N-OE2 3.43Å; S44-E47 PolarHBondContact O-N 2.76Å; S44-E47 WeakPolarHBondContact OG-CG 3.25Å; S44-E47 PolarHBondContact OG-N 3.41Å; S44-E47 PolarHBondContact OG-OE1 2.93Å; S44-R48 PolarHBondContact O-N 3.43Å
45	R	79.4	Confident	61.4	Low	71 Å²	71	104.1 Å²	104.1	27%	0.268	53%	0.525	S	S	.	.	H	α-helix	trans	-50.3	-41.8	176.6	174.3	179.3	165.4	-82.5	-0.3	111.2	R48 I49 V95 S96 E97	R45-R48 PolarHBondContact O-N 2.96Å; R45-I49 HydrophobicContact CG-CD1 3.8Å; R45-I49 WeakPolarHBondContact O-CD1 3.39Å; R45-I49 VanDerWaalsContact O-CG1 3.29Å; R45-I49 WeakPolarHBondContact O-CG1 3.45Å; R45-I49 PolarHBondContact O-N 3.46Å; R45-V95 PolarHBondContact NH2-O 3.48Å; R45-S96 PolarHBondContact NE-O 3.11Å; R45-S96 PolarHBondContact NH2-O 3.07Å; R45-E97 WeakPolarHBondContact CD-O 3.4Å; R45-E97 PolarHBondContact NE-O 2.91Å; R45-E97 VanDerWaalsContact NE-O 3.08Å
46	Q	77.5	Confident	64.1	Low	78 Å²	78	92.4 Å²	92.4	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-72.7	-32.3	-180	-168.6	54.1	69.8	0	0	113.3	S44 Q50 Y73	S44-Q46 PolarHBondContact O-N 3.39Å; S44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-Q50 VanDerWaalsContact O-CB 3.24Å; Q46-Q50 WeakPolarHBondContact O-CB 3.48Å; Q46-Q50 PolarHBondContact O-N 3.49Å; Q46-Y73 VanDerWaalsContact NE2-CE1 3.35Å; Q46-Y73 PolarHBondContact NE2-OH 2.98Å; Q46-Y73 PolarHBondContact OE1-OH 2.68Å
47	E	79.3	Confident	67	Low	105 Å²	105	90.4 Å²	90.4	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-68.5	-37.4	170.7	-72.5	151.5	-124.9	0	0	112.3	C43 S44 Q50 K51	C43-E47 WeakPolarHBondContact CA-OE2 3.47Å; C43-E47 WeakPolarHBondContact SG-CB 3.36Å; S44-E47 WeakPolarHBondContact CB-OE1 3.33Å; S44-E47 PolarHBondContact N-OE1 3.13Å; S44-E47 PolarHBondContact N-OE2 3.43Å; S44-E47 PolarHBondContact O-N 2.76Å; S44-E47 WeakPolarHBondContact OG-CG 3.25Å; S44-E47 PolarHBondContact OG-N 3.41Å; S44-E47 PolarHBondContact OG-OE1 2.93Å; E47-Q50 PolarHBondContact O-N 3.13Å; E47-K51 WeakPolarHBondContact O-CB 3.48Å; E47-K51 PolarHBondContact O-N 3Å
48	R	80.3	Confident	69.8	Low	114 Å²	114	89.8 Å²	89.8	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-51.9	174.1	-73.1	-166.2	-82.3	142.1	-3	110.9	C43 S44 R45 Q50 K51 D52	C43-R48 HydrophobicContact CB-CG 4.19Å; S44-R48 PolarHBondContact O-N 3.43Å; R45-R48 PolarHBondContact O-N 2.96Å; R48-Q50 VanDerWaalsContact C-N 3.34Å; R48-Q50 PolarHBondContact O-N 2.8Å; R48-K51 PolarHBondContact O-N 3.07Å; R48-D52 PolarHBondContact O-N 3.36Å
49	I	84.4	Confident	72.5	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-57.8	-45.7	176.2	-65.4	162.4	0	0	0	111.1	R45 D52 I53 Y73 V95 Y99 I121	R45-I49 HydrophobicContact CG-CD1 3.8Å; R45-I49 WeakPolarHBondContact O-CD1 3.39Å; R45-I49 VanDerWaalsContact O-CG1 3.29Å; R45-I49 WeakPolarHBondContact O-CG1 3.45Å; R45-I49 PolarHBondContact O-N 3.46Å; I49-D52 PolarHBondContact O-N 3.43Å; I49-I53 HydrophobicContact CG2-CD1 3.74Å; I49-I53 WeakPolarHBondContact O-CD1 3.37Å; I49-I53 VanDerWaalsContact O-CG1 3.28Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.18Å; I49-Y73 HydrophobicContact CG2-CE2 3.77Å; I49-V95 HydrophobicContact CD1-CG1 3.58Å; I49-V95 HydrophobicContact CG1-CG1 4.05Å; I49-Y99 HydrophobicContact CD1-CD1 4.26Å; I49-Y99 HydrophobicContact CD1-CG 4.3Å; I49-Y99 HydrophobicContact CG1-CD1 3.48Å; I49-Y99 VanDerWaalsContact CG1-CD1 3.48Å; I49-Y99 HydrophobicContact CG1-CD2 4.5Å; I49-Y99 HydrophobicContact CG1-CE1 3.76Å; I49-Y99 HydrophobicContact CG1-CG 3.89Å; I49-I121 HydrophobicContact CG2-CD1 4.11Å
50	Q	85.2	Confident	75	Confident	76 Å²	76	75.9 Å²	75.9	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-43.4	179.2	-173.3	61.9	56.4	0	0	112.1	Q46 E47 R48 D52 I53 D54	Q46-Q50 VanDerWaalsContact O-CB 3.24Å; Q46-Q50 WeakPolarHBondContact O-CB 3.48Å; Q46-Q50 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.13Å; R48-Q50 VanDerWaalsContact C-N 3.34Å; R48-Q50 PolarHBondContact O-N 2.8Å; Q50-D52 VanDerWaalsContact C-N 3.3Å; Q50-D52 PolarHBondContact O-N 2.84Å; Q50-I53 PolarHBondContact O-N 3.48Å; Q50-D54 PolarHBondContact NE2-OD1 3.3Å; Q50-D54 WeakPolarHBondContact O-CB 3.45Å; Q50-D54 PolarHBondContact O-N 3.3Å
51	K	86.6	Confident	77.1	Confident	138 Å²	138	75.8 Å²	75.8	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-61.1	-40.3	177.6	-177.3	-170	173.7	-161.1	0	111.6	E47 R48 D54 V55	E47-K51 WeakPolarHBondContact O-CB 3.48Å; E47-K51 PolarHBondContact O-N 3Å; R48-K51 PolarHBondContact O-N 3.07Å; K51-D54 PolarHBondContact O-N 3.28Å; K51-V55 WeakPolarHBondContact O-CG2 3.26Å; K51-V55 PolarHBondContact O-N 3.15Å
52	D	90.5	Very high	79.4	Confident	34 Å²	34	76.8 Å²	76.8	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-67	-40.7	177.8	-74.1	-10.3	0	0	0	111.9	R48 I49 Q50 V55 V56 Y99 I121 P122	R48-D52 PolarHBondContact O-N 3.36Å; I49-D52 PolarHBondContact O-N 3.43Å; Q50-D52 VanDerWaalsContact C-N 3.3Å; Q50-D52 PolarHBondContact O-N 2.84Å; D52-V55 PolarHBondContact O-N 2.96Å; D52-V56 PolarHBondContact O-N 2.97Å; D52-V56 VanDerWaalsContact O-N 3.16Å; D52-Y99 WeakPolarHBondContact OD2-CE1 3.39Å; D52-Y99 PolarHBondContact OD2-OH 2.64Å; D52-I121 HydrophobicContact CB-CB 4.27Å; D52-P122 HydrophobicContact CB-CG 3.81Å
53	I	89.8	Confident	81.5	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-45.3	171.9	-71	166.3	0	0	0	111.2	I49 Q50 V55 V56 I57 Y73 F78 I121	I49-I53 HydrophobicContact CG2-CD1 3.74Å; I49-I53 WeakPolarHBondContact O-CD1 3.37Å; I49-I53 VanDerWaalsContact O-CG1 3.28Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.18Å; Q50-I53 PolarHBondContact O-N 3.48Å; I53-V55 VanDerWaalsContact C-N 3.28Å; I53-V55 PolarHBondContact O-N 3.02Å; I53-V56 PolarHBondContact O-N 2.74Å; I53-V56 VanDerWaalsContact O-N 3.14Å; I53-I57 HydrophobicContact CG2-CD1 3.7Å; I53-I57 HydrophobicContact CG2-CG1 4.42Å; I53-I57 WeakPolarHBondContact O-CG1 3.27Å; I53-I57 PolarHBondContact O-N 3.31Å; I53-Y73 HydrophobicContact CD1-CD1 4.4Å; I53-Y73 HydrophobicContact CD1-CD2 3.48Å; I53-Y73 VanDerWaalsContact CD1-CD2 3.48Å; I53-Y73 HydrophobicContact CD1-CE2 4.02Å; I53-Y73 HydrophobicContact CD1-CG 3.69Å; I53-F78 HydrophobicContact CB-CD2 4.42Å; I53-F78 HydrophobicContact CB-CE2 4.27Å; I53-F78 HydrophobicContact CD1-CB 4.22Å; I53-F78 HydrophobicContact CD1-CD2 3.89Å; I53-F78 HydrophobicContact CD1-CG 4.18Å; I53-F78 HydrophobicContact CG1-CB 4.4Å; I53-F78 HydrophobicContact CG1-CD1 4.41Å; I53-F78 HydrophobicContact CG1-CD2 3.69Å; I53-F78 HydrophobicContact CG1-CE2 3.99Å; I53-F78 HydrophobicContact CG1-CG 3.92Å; I53-F78 HydrophobicContact CG1-CZ 4.43Å; I53-F78 HydrophobicContact CG2-CD2 3.97Å; I53-F78 HydrophobicContact CG2-CE2 3.57Å; I53-F78 HydrophobicContact CG2-CZ 4.24Å; I53-I121 HydrophobicContact CD1-CD1 4.32Å; I53-I121 HydrophobicContact CG1-CD1 3.96Å; I53-I121 HydrophobicContact CG1-CG2 4.37Å
54	D	88.1	Confident	82.3	Confident	78 Å²	78	77.4 Å²	77.4	42%	0.417	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-37.5	178.5	-69.4	-14.4	0	0	0	111.2	Q50 K51 I57 Q58	Q50-D54 PolarHBondContact NE2-OD1 3.3Å; Q50-D54 WeakPolarHBondContact O-CB 3.45Å; Q50-D54 PolarHBondContact O-N 3.3Å; K51-D54 PolarHBondContact O-N 3.28Å; D54-I57 PolarHBondContact O-N 2.89Å; D54-Q58 WeakPolarHBondContact O-CB 3.4Å; D54-Q58 PolarHBondContact O-N 2.9Å
55	V	88.9	Confident	82.3	Confident	64 Å²	64	81.6 Å²	81.6	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-44.1	173.3	165.3	0	0	0	0	111.7	K51 D52 I53 Q58 K59 P122	K51-V55 WeakPolarHBondContact O-CG2 3.26Å; K51-V55 PolarHBondContact O-N 3.15Å; D52-V55 PolarHBondContact O-N 2.96Å; I53-V55 VanDerWaalsContact C-N 3.28Å; I53-V55 PolarHBondContact O-N 3.02Å; V55-Q58 PolarHBondContact O-N 3.15Å; V55-K59 VanDerWaalsContact O-CB 3.3Å; V55-K59 WeakPolarHBondContact O-CB 3.31Å; V55-K59 PolarHBondContact O-N 3.39Å; V55-P122 HydrophobicContact CG1-CB 4.23Å; V55-P122 HydrophobicContact CG1-CG 4.4Å
56	V	88.7	Confident	81.9	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-46.9	176	167.1	0	0	0	0	111.4	D52 I53 K59 S60 F71 F78 I121 P122 F125	D52-V56 PolarHBondContact O-N 2.97Å; D52-V56 VanDerWaalsContact O-N 3.16Å; I53-V56 PolarHBondContact O-N 2.74Å; I53-V56 VanDerWaalsContact O-N 3.14Å; V56-K59 PolarHBondContact O-N 3.07Å; V56-S60 WeakPolarHBondContact O-CB 3.26Å; V56-S60 PolarHBondContact O-N 2.9Å; V56-S60 PolarHBondContact O-OG 3.38Å; V56-F71 HydrophobicContact CG1-CD1 4.25Å; V56-F71 HydrophobicContact CG1-CE1 3.8Å; V56-F78 HydrophobicContact CB-CE1 4.5Å; V56-F78 HydrophobicContact CB-CZ 4.34Å; V56-F78 HydrophobicContact CG1-CE1 4.09Å; V56-F78 HydrophobicContact CG1-CZ 3.91Å; V56-I121 HydrophobicContact CG2-CG2 3.99Å; V56-P122 HydrophobicContact CG2-CB 4.19Å; V56-P122 HydrophobicContact CG2-CG 4.49Å; V56-F125 HydrophobicContact CB-CD1 4.45Å; V56-F125 HydrophobicContact CB-CG 4.38Å; V56-F125 HydrophobicContact CG1-CB 4.14Å; V56-F125 HydrophobicContact CG1-CD1 3.75Å; V56-F125 HydrophobicContact CG1-CD2 3.57Å; V56-F125 HydrophobicContact CG1-CE1 4Å; V56-F125 HydrophobicContact CG1-CE2 3.84Å; V56-F125 HydrophobicContact CG1-CG 3.52Å; V56-F125 HydrophobicContact CG1-CZ 4.05Å; V56-F125 HydrophobicContact CG2-CB 3.75Å; V56-F125 HydrophobicContact CG2-CD1 4.12Å; V56-F125 HydrophobicContact CG2-CG 3.95Å
57	I	88.1	Confident	82	Confident	28 Å²	28	79.3 Å²	79.3	14%	0.144	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-40.4	179.8	-66.4	171.5	0	0	0	110.7	I53 D54 R61 F71	I53-I57 HydrophobicContact CG2-CD1 3.7Å; I53-I57 HydrophobicContact CG2-CG1 4.42Å; I53-I57 WeakPolarHBondContact O-CG1 3.27Å; I53-I57 PolarHBondContact O-N 3.31Å; D54-I57 PolarHBondContact O-N 2.89Å; I57-R61 VanDerWaalsContact CG2-CZ 3.45Å; I57-R61 WeakPolarHBondContact O-CB 3.48Å; I57-R61 VanDerWaalsContact O-CG 3.26Å; I57-R61 WeakPolarHBondContact O-CG 3.22Å; I57-R61 PolarHBondContact O-N 3.45Å; I57-F71 HydrophobicContact CD1-CB 4Å; I57-F71 HydrophobicContact CG1-CB 3.91Å; I57-F71 HydrophobicContact CG1-CD1 4.14Å; I57-F71 HydrophobicContact CG1-CD2 4.37Å; I57-F71 HydrophobicContact CG1-CG 3.89Å
58	Q	85.2	Confident	82.4	Confident	142 Å²	142	74.6 Å²	74.6	66%	0.664	36%	0.361	S	S	*	.	H	α-helix	trans	-67.7	-43.1	177.4	-176.5	176.5	-8.6	0	0	112.1	D54 V55 R61 A62	D54-Q58 WeakPolarHBondContact O-CB 3.4Å; D54-Q58 PolarHBondContact O-N 2.9Å; V55-Q58 PolarHBondContact O-N 3.15Å; Q58-R61 PolarHBondContact O-N 3.35Å; Q58-A62 WeakPolarHBondContact O-CB 2.88Å; Q58-A62 PolarHBondContact O-N 2.72Å; Q58-A62 VanDerWaalsContact O-N 3.16Å
59	K	83.4	Confident	82.5	Confident	93 Å²	93	71 Å²	71	40%	0.404	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-47.5	176.4	-174.2	176.1	-179	179.3	0	110.7	V55 V56 R61 A62 E63	V55-K59 VanDerWaalsContact O-CB 3.3Å; V55-K59 WeakPolarHBondContact O-CB 3.31Å; V55-K59 PolarHBondContact O-N 3.39Å; V56-K59 PolarHBondContact O-N 3.07Å; K59-R61 PolarHBondContact O-N 3.39Å; K59-A62 PolarHBondContact O-N 3.49Å; K59-A62 VanDerWaalsContact O-N 3.13Å; K59-E63 PolarHBondContact O-N 3.2Å
60	S	82.3	Confident	82.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-45.7	178.5	-53.8	0	0	0	0	111.8	V56 A62 E63 C66 F71 F125	V56-S60 WeakPolarHBondContact O-CB 3.26Å; V56-S60 PolarHBondContact O-N 2.9Å; V56-S60 PolarHBondContact O-OG 3.38Å; S60-A62 PolarHBondContact O-N 3.09Å; S60-E63 PolarHBondContact O-N 2.92Å; S60-C66 WeakPolarHBondContact O-CB 3.24Å; S60-C66 PolarHBondContact O-SG 3.43Å; S60-F71 VanDerWaalsContact OG-CZ 3.31Å; S60-F71 WeakPolarHBondContact OG-CZ 3.45Å; S60-F125 VanDerWaalsContact OG-CZ 3.29Å; S60-F125 WeakPolarHBondContact OG-CZ 3.37Å
61	R	80	Confident	82.7	Confident	204 Å²	204	73.4 Å²	73.4	77%	0.77	37%	0.369	S	S	*	.	H	α-helix	trans	-68.3	-12.5	176.8	-72.2	174.7	-178.6	172.5	4.1	114.9	I57 Q58 K59	I57-R61 VanDerWaalsContact CG2-CZ 3.45Å; I57-R61 WeakPolarHBondContact O-CB 3.48Å; I57-R61 VanDerWaalsContact O-CG 3.26Å; I57-R61 WeakPolarHBondContact O-CG 3.22Å; I57-R61 PolarHBondContact O-N 3.45Å; Q58-R61 PolarHBondContact O-N 3.35Å; K59-R61 PolarHBondContact O-N 3.39Å
62	A	79.1	Confident	82.7	Confident	82 Å²	82	73.7 Å²	73.7	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-91.1	-18.3	177.2	0	0	0	0	0	113	Q58 K59 S60	Q58-A62 WeakPolarHBondContact O-CB 2.88Å; Q58-A62 PolarHBondContact O-N 2.72Å; Q58-A62 VanDerWaalsContact O-N 3.16Å; K59-A62 PolarHBondContact O-N 3.49Å; K59-A62 VanDerWaalsContact O-N 3.13Å; S60-A62 PolarHBondContact O-N 3.09Å
63	E	80.2	Confident	82.7	Confident	59 Å²	59	75 Å²	75	28%	0.276	37%	0.369	S	S	.	.			trans	-80.7	130.1	173.7	-65.4	-176.7	133.3	0	0	110	K59 S60 D65 R133	K59-E63 PolarHBondContact O-N 3.2Å; S60-E63 PolarHBondContact O-N 2.92Å; E63-D65 VanDerWaalsContact C-N 3.3Å; E63-D65 PolarHBondContact O-N 2.74Å; E63-R133 VanDerWaalsContact CD-NH2 3.29Å; E63-R133 IonicContact OE1-CZ 2.69Å; E63-R133 IonicContact OE1-NH1 3.36Å; E63-R133 PolarHBondContact OE1-NH1 3.1Å; E63-R133 IonicContact OE1-NH2 3.83Å; E63-R133 PolarHBondContact OE1-NH2 3.04Å; E63-R133 VanDerWaalsContact OE1-NH2 3.08Å; E63-R133 IonicContact OE2-CZ 3.28Å; E63-R133 IonicContact OE2-NH1 3.68Å; E63-R133 IonicContact OE2-NH2 3.08Å; E63-R133 PolarHBondContact OE2-NH2 2.98Å
64	K	63.2	Low	82.4	Confident	206 Å²	206	78 Å²	78	90%	0.896	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-35.1	179.8	-72.3	-176.1	176.8	178.8	0	112.4
65	D	68.2	Low	82.1	Confident	136 Å²	136	81.8 Å²	81.8	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	54	-177	-51	-69.3	0	0	0	109.7	E63 L67	E63-D65 VanDerWaalsContact C-N 3.3Å; E63-D65 PolarHBondContact O-N 2.74Å; D65-L67 WeakPolarHBondContact O-CG 3.42Å; D65-L67 PolarHBondContact O-N 3.28Å
66	C	71.6	Confident	82	Confident	45 Å²	45	81 Å²	81	30%	0.304	41%	0.407	S	S	.	.			trans	-67	101.9	-174.1	179.4	0	0	0	0	112.1	S60 F68	S60-C66 WeakPolarHBondContact O-CB 3.24Å; S60-C66 PolarHBondContact O-SG 3.43Å; C66-F68 PolarHBondContact O-N 3.24Å; C66-F68 VanDerWaalsContact O-N 3.17Å; C66-F68 PolarHBondContact SG-O 2.69Å
67	L	79.8	Confident	82	Confident	55 Å²	55	82 Å²	82	29%	0.288	41%	0.414	S	S	.	.			trans	-76.9	8.8	-179.4	-50.3	-178.4	0	0	0	114.5	D65 Y82 V83	D65-L67 WeakPolarHBondContact O-CG 3.42Å; D65-L67 PolarHBondContact O-N 3.28Å; L67-Y82 HydrophobicContact CB-CD2 4.05Å; L67-Y82 HydrophobicContact CB-CE2 3.56Å; L67-Y82 HydrophobicContact CD1-CE2 3.94Å; L67-Y82 HydrophobicContact CG-CE2 4.39Å; L67-Y82 VanDerWaalsContact O-CD2 3.25Å; L67-Y82 WeakPolarHBondContact O-CD2 3.48Å; L67-V83 WeakPolarHBondContact O-CG2 3.49Å; L67-V83 PolarHBondContact O-N 2.83Å
68	F	86.8	Confident	82.2	Confident	7 Å²	7	80.7 Å²	80.7	3%	0.031	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.5	-175	-65.5	-83	0	0	0	112.2	C66 F71 F80 T81 Y82 F125 A129 L132	C66-F68 PolarHBondContact O-N 3.24Å; C66-F68 VanDerWaalsContact O-N 3.17Å; C66-F68 PolarHBondContact SG-O 2.69Å; F68-F71 HydrophobicContact CB-CE1 4.42Å; F68-F71 HydrophobicContact CB-CE2 4.43Å; F68-F71 HydrophobicContact CB-CZ 3.71Å; F68-F80 AromaticContact CD1-CD2 3.85Å; F68-F80 HydrophobicContact CD1-CD2 3.85Å; F68-F80 HydrophobicContact CD1-CE2 4.15Å; F68-F80 HydrophobicContact CE1-CD2 4.25Å; F68-F80 HydrophobicContact CE1-CE2 4.08Å; F68-T81 CarbonylContact C-O 3.59Å; F68-T81 WeakPolarHBondContact CA-O 3.39Å; F68-Y82 HydrophobicContact CD1-CD2 4.09Å; F68-Y82 AromaticContact CE1-CD2 3.55Å; F68-Y82 HydrophobicContact CE1-CD2 3.55Å; F68-Y82 HydrophobicContact CE1-CG 4.16Å; F68-Y82 HydrophobicContact CE2-CD2 4.14Å; F68-Y82 HydrophobicContact CE2-CE2 4.46Å; F68-Y82 AromaticContact CZ-CD2 3.55Å; F68-Y82 HydrophobicContact CZ-CD2 3.55Å; F68-Y82 HydrophobicContact CZ-CE2 4.12Å; F68-F125 HydrophobicContact CB-CE2 4.27Å; F68-F125 HydrophobicContact CB-CZ 4.24Å; F68-F125 HydrophobicContact CD1-CE2 4.01Å; F68-F125 HydrophobicContact CD1-CZ 4.44Å; F68-F125 HydrophobicContact CD2-CE2 4.26Å; F68-F125 AromaticContact CD2-CZ 3.86Å; F68-F125 HydrophobicContact CD2-CZ 3.86Å; F68-F125 HydrophobicContact CE1-CE2 4.45Å; F68-F125 HydrophobicContact CE2-CZ 4.38Å; F68-F125 AromaticContact CG-CE2 3.9Å; F68-F125 HydrophobicContact CG-CE2 3.9Å; F68-F125 AromaticContact CG-CZ 3.91Å; F68-F125 HydrophobicContact CG-CZ 3.91Å; F68-A129 HydrophobicContact CE2-CB 3.64Å; F68-A129 HydrophobicContact CZ-CB 3.77Å; F68-L132 HydrophobicContact CE1-CD1 3.99Å; F68-L132 HydrophobicContact CZ-CD1 3.88Å
69	A	82	Confident	82.4	Confident	37 Å²	37	75.2 Å²	75.2	31%	0.306	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	178	-174.5	0	0	0	0	0	111.9	F71 T81 V83	A69-F71 PolarHBondContact O-N 3.16Å; A69-T81 PolarHBondContact N-O 3.28Å; A69-T81 PolarHBondContact O-N 3.26Å; A69-V83 HydrophobicContact CB-CG1 4.1Å; A69-V83 HydrophobicContact CB-CG2 4.08Å
70	D	84.3	Confident	82.8	Confident	80 Å²	80	70.9 Å²	70.9	43%	0.428	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.9	46	174.3	-155.7	24.8	0	0	0	115.4	R72	D70-R72 PolarHBondContact O-N 2.76Å; D70-R72 IonicContact OD1-CZ 3.31Å; D70-R72 VanDerWaalsContact OD1-CZ 3.26Å; D70-R72 IonicContact OD1-NE 2.64Å; D70-R72 PolarHBondContact OD1-NE 3.42Å; D70-R72 IonicContact OD1-NH2 3.39Å; D70-R72 PolarHBondContact OD1-NH2 2.84Å; D70-R72 IonicContact OD2-CZ 2.7Å; D70-R72 IonicContact OD2-NE 2.72Å; D70-R72 PolarHBondContact OD2-NE 3.38Å; D70-R72 IonicContact OD2-NH2 3.5Å; D70-R72 PolarHBondContact OD2-NH2 3.42Å
71	F	90.3	Very high	83	Confident	47 Å²	47	71.7 Å²	71.7	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	120	173.5	-59	-84.2	0	0	0	111.1	V56 I57 S60 F68 A69 F78 T79 F80 F125	V56-F71 HydrophobicContact CG1-CD1 4.25Å; V56-F71 HydrophobicContact CG1-CE1 3.8Å; I57-F71 HydrophobicContact CD1-CB 4Å; I57-F71 HydrophobicContact CG1-CB 3.91Å; I57-F71 HydrophobicContact CG1-CD1 4.14Å; I57-F71 HydrophobicContact CG1-CD2 4.37Å; I57-F71 HydrophobicContact CG1-CG 3.89Å; S60-F71 VanDerWaalsContact OG-CZ 3.31Å; S60-F71 WeakPolarHBondContact OG-CZ 3.45Å; F68-F71 HydrophobicContact CB-CE1 4.42Å; F68-F71 HydrophobicContact CB-CE2 4.43Å; F68-F71 HydrophobicContact CB-CZ 3.71Å; A69-F71 PolarHBondContact O-N 3.16Å; F71-F78 HydrophobicContact CB-CE2 4.37Å; F71-F78 HydrophobicContact CD1-CE2 4.34Å; F71-F78 AromaticContact CD1-CZ 3.83Å; F71-F78 HydrophobicContact CD1-CZ 3.83Å; F71-T79 CarbonylContact C-O 3.59Å; F71-T79 WeakPolarHBondContact CA-O 3.29Å; F71-F80 HydrophobicContact CD1-CB 3.51Å; F71-F80 HydrophobicContact CE1-CB 3.71Å; F71-F80 HydrophobicContact CE1-CG 4.4Å; F71-F80 HydrophobicContact CG-CB 4.4Å; F71-F125 AromaticContact CE1-CE2 3.89Å; F71-F125 HydrophobicContact CE1-CE2 3.89Å; F71-F125 HydrophobicContact CE1-CZ 4.34Å; F71-F125 HydrophobicContact CZ-CE2 4.37Å; F71-F125 HydrophobicContact CZ-CZ 4.47Å
72	R	87.4	Confident	83.3	Confident	145 Å²	145	62.6 Å²	62.6	55%	0.547	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.8	177.4	-53.5	-175.3	-171	-176.3	9.7	111.4	D70 F78 T79	D70-R72 PolarHBondContact O-N 2.76Å; D70-R72 IonicContact OD1-CZ 3.31Å; D70-R72 VanDerWaalsContact OD1-CZ 3.26Å; D70-R72 IonicContact OD1-NE 2.64Å; D70-R72 PolarHBondContact OD1-NE 3.42Å; D70-R72 IonicContact OD1-NH2 3.39Å; D70-R72 PolarHBondContact OD1-NH2 2.84Å; D70-R72 IonicContact OD2-CZ 2.7Å; D70-R72 IonicContact OD2-NE 2.72Å; D70-R72 PolarHBondContact OD2-NE 3.38Å; D70-R72 IonicContact OD2-NH2 3.5Å; D70-R72 PolarHBondContact OD2-NH2 3.42Å; R72-F78 CarbonylContact O-C 3.48Å; R72-F78 WeakPolarHBondContact O-CA 3.42Å; R72-F78 WeakPolarHBondContact O-CD2 3.29Å; R72-T79 PolarHBondContact N-O 3.15Å; R72-T79 PolarHBondContact O-N 2.92Å
73	Y	89	Confident	83.3	Confident	62 Å²	62	62.1 Å²	62.1	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.2	170	179.1	-105	0	0	0	110	Q46 I49 I53 T77 F78	Q46-Y73 VanDerWaalsContact NE2-CE1 3.35Å; Q46-Y73 PolarHBondContact NE2-OH 2.98Å; Q46-Y73 PolarHBondContact OE1-OH 2.68Å; I49-Y73 HydrophobicContact CG2-CE2 3.77Å; I53-Y73 HydrophobicContact CD1-CD1 4.4Å; I53-Y73 HydrophobicContact CD1-CD2 3.48Å; I53-Y73 VanDerWaalsContact CD1-CD2 3.48Å; I53-Y73 HydrophobicContact CD1-CE2 4.02Å; I53-Y73 HydrophobicContact CD1-CG 3.69Å; Y73-T77 WeakPolarHBondContact CA-O 3.36Å; Y73-T77 WeakPolarHBondContact CD2-O 3.37Å; Y73-F78 HydrophobicContact CD2-CB 4.04Å
74	S	84.1	Confident	82.7	Confident	67 Å²	67	60.8 Å²	60.8	47%	0.469	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	143	179.9	48.7	0	0	0	0	109.4	S76 T77	S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 3.01Å; S74-T77 PolarHBondContact N-O 3.22Å; S74-T77 WeakPolarHBondContact O-CA 3.47Å; S74-T77 WeakPolarHBondContact O-CB 3.46Å; S74-T77 PolarHBondContact O-N 2.97Å; S74-T77 VanDerWaalsContact O-O 3.14Å
75	D	81.3	Confident	82.8	Confident	156 Å²	156	52.7 Å²	52.7	83%	0.834	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.1	172.8	-53.1	-34.2	0	0	0	113.7	T77	D75-T77 PolarHBondContact O-N 2.8Å; D75-T77 VanDerWaalsContact O-N 3.11Å; D75-T77 PolarHBondContact O-OG1 3.05Å
76	S	86.4	Confident	82.5	Confident	47 Å²	47	52.8 Å²	52.8	33%	0.329	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	21.4	-174.7	-52.2	0	0	0	0	115.3	S74 V95	S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 3.01Å; S76-V95 VanDerWaalsContact O-CB 3.29Å; S76-V95 WeakPolarHBondContact O-CB 3.28Å; S76-V95 PolarHBondContact O-N 2.75Å
77	T	88.9	Confident	82.2	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	177.4	-53.4	0	0	0	0	110	Y73 S74 D75 T79 V93 H94	Y73-T77 WeakPolarHBondContact CA-O 3.36Å; Y73-T77 WeakPolarHBondContact CD2-O 3.37Å; S74-T77 PolarHBondContact N-O 3.22Å; S74-T77 WeakPolarHBondContact O-CA 3.47Å; S74-T77 WeakPolarHBondContact O-CB 3.46Å; S74-T77 PolarHBondContact O-N 2.97Å; S74-T77 VanDerWaalsContact O-O 3.14Å; D75-T77 PolarHBondContact O-N 2.8Å; D75-T77 VanDerWaalsContact O-N 3.11Å; D75-T77 PolarHBondContact O-OG1 3.05Å; T77-T79 HydrophobicContact CG2-CG2 3.92Å; T77-V93 CarbonylContact C-O 3.57Å; T77-V93 WeakPolarHBondContact CA-O 3.28Å; T77-H94 VanDerWaalsContact CG2-CE1 3.48Å; T77-H94 WeakPolarHBondContact CG2-CE1 3.11Å; T77-H94 VanDerWaalsContact CG2-ND1 3.27Å; T77-H94 WeakPolarHBondContact CG2-ND1 3.33Å; T77-H94 PolarHBondContact OG1-ND1 2.77Å
78	F	92.4	Very high	82	Confident	1 Å²	1	57 Å²	57	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.4	171.1	176.1	-119.9	0	0	0	109.5	I53 V56 F71 R72 Y73 F80 V93 I121	I53-F78 HydrophobicContact CB-CD2 4.42Å; I53-F78 HydrophobicContact CB-CE2 4.27Å; I53-F78 HydrophobicContact CD1-CB 4.22Å; I53-F78 HydrophobicContact CD1-CD2 3.89Å; I53-F78 HydrophobicContact CD1-CG 4.18Å; I53-F78 HydrophobicContact CG1-CB 4.4Å; I53-F78 HydrophobicContact CG1-CD1 4.41Å; I53-F78 HydrophobicContact CG1-CD2 3.69Å; I53-F78 HydrophobicContact CG1-CE2 3.99Å; I53-F78 HydrophobicContact CG1-CG 3.92Å; I53-F78 HydrophobicContact CG1-CZ 4.43Å; I53-F78 HydrophobicContact CG2-CD2 3.97Å; I53-F78 HydrophobicContact CG2-CE2 3.57Å; I53-F78 HydrophobicContact CG2-CZ 4.24Å; V56-F78 HydrophobicContact CB-CE1 4.5Å; V56-F78 HydrophobicContact CB-CZ 4.34Å; V56-F78 HydrophobicContact CG1-CE1 4.09Å; V56-F78 HydrophobicContact CG1-CZ 3.91Å; F71-F78 HydrophobicContact CB-CE2 4.37Å; F71-F78 HydrophobicContact CD1-CE2 4.34Å; F71-F78 AromaticContact CD1-CZ 3.83Å; F71-F78 HydrophobicContact CD1-CZ 3.83Å; R72-F78 CarbonylContact O-C 3.48Å; R72-F78 WeakPolarHBondContact O-CA 3.42Å; R72-F78 WeakPolarHBondContact O-CD2 3.29Å; Y73-F78 HydrophobicContact CD2-CB 4.04Å; F78-F80 HydrophobicContact CD1-CD1 4.11Å; F78-F80 AromaticContact CE1-CD1 3.77Å; F78-F80 HydrophobicContact CE1-CD1 3.77Å; F78-F80 HydrophobicContact CE1-CE1 4.37Å; F78-F80 HydrophobicContact CZ-CD1 4.46Å; F78-V93 HydrophobicContact CB-CB 4.41Å; F78-V93 PolarHBondContact N-O 2.87Å; F78-V93 PolarHBondContact O-N 3.26Å; F78-I121 HydrophobicContact CB-CD1 4.41Å; F78-I121 HydrophobicContact CD1-CG2 3.61Å; F78-I121 HydrophobicContact CE1-CG2 3.7Å; F78-I121 HydrophobicContact CG-CG2 4.48Å
79	T	89.8	Confident	81.7	Confident	27 Å²	27	56.8 Å²	56.8	17%	0.166	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.6	178.7	68.8	0	0	0	0	111.7	F71 R72 T77 Y91	F71-T79 CarbonylContact C-O 3.59Å; F71-T79 WeakPolarHBondContact CA-O 3.29Å; R72-T79 PolarHBondContact N-O 3.15Å; R72-T79 PolarHBondContact O-N 2.92Å; T77-T79 HydrophobicContact CG2-CG2 3.92Å; T79-Y91 VanDerWaalsContact CA-O 3.25Å; T79-Y91 WeakPolarHBondContact CA-O 3.21Å
80	F	91.3	Very high	81.9	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.5	174.2	63.2	-89.6	0	0	0	110.7	F68 F71 F78 Y91 V93 F125 I128	F68-F80 AromaticContact CD1-CD2 3.85Å; F68-F80 HydrophobicContact CD1-CD2 3.85Å; F68-F80 HydrophobicContact CD1-CE2 4.15Å; F68-F80 HydrophobicContact CE1-CD2 4.25Å; F68-F80 HydrophobicContact CE1-CE2 4.08Å; F71-F80 HydrophobicContact CD1-CB 3.51Å; F71-F80 HydrophobicContact CE1-CB 3.71Å; F71-F80 HydrophobicContact CE1-CG 4.4Å; F71-F80 HydrophobicContact CG-CB 4.4Å; F78-F80 HydrophobicContact CD1-CD1 4.11Å; F78-F80 AromaticContact CE1-CD1 3.77Å; F78-F80 HydrophobicContact CE1-CD1 3.77Å; F78-F80 HydrophobicContact CE1-CE1 4.37Å; F78-F80 HydrophobicContact CZ-CD1 4.46Å; F80-Y91 HydrophobicContact CD2-CD2 4.37Å; F80-Y91 AromaticContact CE2-CD2 3.83Å; F80-Y91 HydrophobicContact CE2-CD2 3.83Å; F80-Y91 HydrophobicContact CE2-CG 4.12Å; F80-Y91 HydrophobicContact CZ-CD2 4.35Å; F80-Y91 HydrophobicContact CZ-CG 4.18Å; F80-Y91 PolarHBondContact N-O 2.82Å; F80-Y91 PolarHBondContact O-N 3.23Å; F80-V93 HydrophobicContact CE1-CG2 4.09Å; F80-F125 HydrophobicContact CD1-CD2 4.2Å; F80-F125 AromaticContact CD2-CD2 3.83Å; F80-F125 HydrophobicContact CD2-CD2 3.83Å; F80-F125 AromaticContact CD2-CE2 3.78Å; F80-F125 HydrophobicContact CD2-CE2 3.78Å; F80-F125 HydrophobicContact CE1-CD2 4Å; F80-F125 AromaticContact CE2-CD2 3.61Å; F80-F125 HydrophobicContact CE2-CD2 3.61Å; F80-F125 AromaticContact CE2-CE2 3.87Å; F80-F125 HydrophobicContact CE2-CE2 3.87Å; F80-F125 HydrophobicContact CG-CD2 4.12Å; F80-F125 HydrophobicContact CG-CE2 4.25Å; F80-F125 AromaticContact CZ-CD2 3.71Å; F80-F125 HydrophobicContact CZ-CD2 3.71Å; F80-F125 HydrophobicContact CZ-CE2 4.43Å; F80-I128 HydrophobicContact CE2-CG2 4.2Å; F80-I128 HydrophobicContact CZ-CD1 3.96Å; F80-I128 HydrophobicContact CZ-CG2 4.3Å
81	T	87.1	Confident	82	Confident	18 Å²	18	52.7 Å²	52.7	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.8	-171.6	-57.6	0	0	0	0	111.5	F68 A69 V83 V89 S90	F68-T81 CarbonylContact C-O 3.59Å; F68-T81 WeakPolarHBondContact CA-O 3.39Å; A69-T81 PolarHBondContact N-O 3.28Å; A69-T81 PolarHBondContact O-N 3.26Å; T81-V83 HydrophobicContact CG2-CG1 4.24Å; T81-V89 CarbonylContact C-O 3.36Å; T81-V89 WeakPolarHBondContact CA-O 3.49Å; T81-S90 PolarHBondContact OG1-OG 2.83Å
82	Y	85.6	Confident	82	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.9	168.8	-177.3	-114.8	0	0	0	110.1	L67 F68 G84 S88 V89 L132	L67-Y82 HydrophobicContact CB-CD2 4.05Å; L67-Y82 HydrophobicContact CB-CE2 3.56Å; L67-Y82 HydrophobicContact CD1-CE2 3.94Å; L67-Y82 HydrophobicContact CG-CE2 4.39Å; L67-Y82 VanDerWaalsContact O-CD2 3.25Å; L67-Y82 WeakPolarHBondContact O-CD2 3.48Å; F68-Y82 HydrophobicContact CD1-CD2 4.09Å; F68-Y82 AromaticContact CE1-CD2 3.55Å; F68-Y82 HydrophobicContact CE1-CD2 3.55Å; F68-Y82 HydrophobicContact CE1-CG 4.16Å; F68-Y82 HydrophobicContact CE2-CD2 4.14Å; F68-Y82 HydrophobicContact CE2-CE2 4.46Å; F68-Y82 AromaticContact CZ-CD2 3.55Å; F68-Y82 HydrophobicContact CZ-CD2 3.55Å; F68-Y82 HydrophobicContact CZ-CE2 4.12Å; Y82-G84 PolarHBondContact OH-O 3.28Å; Y82-S88 VanDerWaalsContact O-CA 3.26Å; Y82-S88 WeakPolarHBondContact O-CA 3.19Å; Y82-V89 PolarHBondContact N-O 2.94Å; Y82-V89 PolarHBondContact O-N 3.27Å; Y82-L132 HydrophobicContact CD1-CD1 4.44Å; Y82-L132 HydrophobicContact CD1-CD2 4.5Å; Y82-L132 HydrophobicContact CD2-CD1 3.96Å; Y82-L132 HydrophobicContact CE2-CB 4.37Å; Y82-L132 HydrophobicContact CE2-CD1 4.37Å; Y82-L132 HydrophobicContact CG-CD1 3.97Å
83	V	79.6	Confident	82.1	Confident	73 Å²	73	44.8 Å²	44.8	44%	0.442	28%	0.278	S	S	.	.			trans	-129.4	9.3	-178	-66.1	0	0	0	0	112.9	L67 A69 T81 G85	L67-V83 WeakPolarHBondContact O-CG2 3.49Å; L67-V83 PolarHBondContact O-N 2.83Å; A69-V83 HydrophobicContact CB-CG1 4.1Å; A69-V83 HydrophobicContact CB-CG2 4.08Å; T81-V83 HydrophobicContact CG2-CG1 4.24Å; V83-G85 VanDerWaalsContact C-N 3.28Å; V83-G85 PolarHBondContact O-N 2.61Å
84	G	67.5	Low	82	Confident	31 Å²	31	45.2 Å²	45.2	32%	0.32	28%	0.282	S	S	.	.	S	Bend	trans	-82.2	14.6	-178.2	0	0	0	0	0	116.1	Y82	Y82-G84 PolarHBondContact OH-O 3.28Å
85	G	66.2	Low	82.2	Confident	36 Å²	36	42.5 Å²	42.5	37%	0.371	26%	0.262	S	S	.	.	S	Bend	trans	-148.6	179.8	-173.6	0	0	0	0	0	114	V83 K87	V83-G85 VanDerWaalsContact C-N 3.28Å; V83-G85 PolarHBondContact O-N 2.61Å; G85-K87 PolarHBondContact O-N 2.6Å
86	P	60.9	Low	82.2	Confident	137 Å²	137	36.2 Å²	36.2	89%	0.89	23%	0.23	S	C	*	.	S	Bend	trans	-70.8	-7.5	-176.4	29.8	-36.4	0	0	0	114.3
87	K	64.9	Low	81.7	Confident	107 Å²	107	42.2 Å²	42.2	47%	0.465	25%	0.253	S	S	.	.	S	Bend	trans	-128.4	151.5	165.2	-54	-175.2	-170.6	171.8	0	109.2	G85 E109 I138	G85-K87 PolarHBondContact O-N 2.6Å; K87-E109 WeakPolarHBondContact CD-OE1 3.39Å; K87-E109 WeakPolarHBondContact CE-OE1 3.37Å; K87-E109 IonicContact NZ-OE1 3.34Å; K87-E109 PolarHBondContact NZ-OE1 2.68Å; K87-E109 IonicContact NZ-OE2 2.85Å; K87-E109 PolarHBondContact NZ-OE2 3.13Å; K87-I138 HydrophobicContact CB-CD1 4.12Å; K87-I138 HydrophobicContact CD-CD1 3.97Å; K87-I138 HydrophobicContact CG-CD1 4.09Å
88	S	76.3	Confident	81.1	Confident	82 Å²	82	45.9 Å²	45.9	57%	0.573	27%	0.272	S	S	*	.			trans	-95	132.8	166.7	55.2	0	0	0	0	111	Y82	Y82-S88 VanDerWaalsContact O-CA 3.26Å; Y82-S88 WeakPolarHBondContact O-CA 3.19Å
89	V	81.4	Confident	80.4	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.9	176.7	176.1	0	0	0	0	110.5	T81 Y82 Y91 E109 I138	T81-V89 CarbonylContact C-O 3.36Å; T81-V89 WeakPolarHBondContact CA-O 3.49Å; Y82-V89 PolarHBondContact N-O 2.94Å; Y82-V89 PolarHBondContact O-N 3.27Å; V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CE2 4.11Å; V89-E109 HydrophobicContact CG1-CG 4.45Å; V89-E109 HydrophobicContact CG2-CG 3.71Å; V89-I138 HydrophobicContact CB-CG2 4.37Å; V89-I138 HydrophobicContact CG2-CG2 3.33Å
90	S	84.6	Confident	79.7	Confident	30 Å²	30	46.8 Å²	46.8	21%	0.21	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.5	176.6	-142.4	0	0	0	0	110.1	T81 S107 S108	T81-S90 PolarHBondContact OG1-OG 2.83Å; S90-S107 CarbonylContact O-C 3.57Å; S90-S107 WeakPolarHBondContact O-CA 3.49Å; S90-S108 PolarHBondContact N-OG 2.8Å; S90-S108 PolarHBondContact O-N 3.14Å
91	Y	87.8	Confident	79	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.9	173.1	-65.6	-84	0	0	0	109.1	T79 F80 V89 S106 I128 L132	T79-Y91 VanDerWaalsContact CA-O 3.25Å; T79-Y91 WeakPolarHBondContact CA-O 3.21Å; F80-Y91 HydrophobicContact CD2-CD2 4.37Å; F80-Y91 AromaticContact CE2-CD2 3.83Å; F80-Y91 HydrophobicContact CE2-CD2 3.83Å; F80-Y91 HydrophobicContact CE2-CG 4.12Å; F80-Y91 HydrophobicContact CZ-CD2 4.35Å; F80-Y91 HydrophobicContact CZ-CG 4.18Å; F80-Y91 PolarHBondContact N-O 2.82Å; F80-Y91 PolarHBondContact O-N 3.23Å; V89-Y91 HydrophobicContact CB-CE2 4.47Å; V89-Y91 HydrophobicContact CG1-CE2 4.11Å; Y91-S106 WeakPolarHBondContact CA-O 3.38Å; Y91-I128 HydrophobicContact CD1-CD1 4.26Å; Y91-I128 HydrophobicContact CD1-CG2 4.41Å; Y91-I128 HydrophobicContact CD2-CG2 4.16Å; Y91-I128 HydrophobicContact CE1-CG2 4.29Å; Y91-I128 HydrophobicContact CE2-CG2 4.02Å; Y91-I128 HydrophobicContact CG-CD1 4.49Å; Y91-I128 HydrophobicContact CG-CG2 4.35Å; Y91-L132 HydrophobicContact CE2-CD1 3.96Å
92	S	88.8	Confident	78.6	Confident	26 Å²	26	53 Å²	53	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.7	-179.7	-62.3	0	0	0	0	109.9	V105 S106	S92-V105 VanDerWaalsContact O-CA 3.3Å; S92-V105 WeakPolarHBondContact O-CA 3.33Å; S92-S106 PolarHBondContact N-O 3.29Å; S92-S106 PolarHBondContact O-N 3.09Å
93	V	90.4	Very high	78.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	102.6	177.4	-175.9	0	0	0	0	108.3	T77 F78 F80 T103 Y104 V105 I121 I124	T77-V93 CarbonylContact C-O 3.57Å; T77-V93 WeakPolarHBondContact CA-O 3.28Å; F78-V93 HydrophobicContact CB-CB 4.41Å; F78-V93 PolarHBondContact N-O 2.87Å; F78-V93 PolarHBondContact O-N 3.26Å; F80-V93 HydrophobicContact CE1-CG2 4.09Å; V93-T103 HydrophobicContact CG1-CG2 3.5Å; V93-T103 VanDerWaalsContact CG1-CG2 3.5Å; V93-Y104 CarbonylContact C-O 3.59Å; V93-Y104 WeakPolarHBondContact CA-O 3.15Å; V93-V105 HydrophobicContact CG1-CG2 4.37Å; V93-V105 HydrophobicContact CG2-CG1 4.22Å; V93-V105 HydrophobicContact CG2-CG2 4.29Å; V93-I121 HydrophobicContact CG1-CG1 4.1Å; V93-I124 HydrophobicContact CG1-CD1 3.83Å; V93-I124 HydrophobicContact CG2-CG2 3.93Å
94	H	87.7	Confident	78.7	Confident	71 Å²	71	54 Å²	54	33%	0.329	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.1	-179.9	-52.4	-84.3	0	0	0	110.4	T77 Y104	T77-H94 VanDerWaalsContact CG2-CE1 3.48Å; T77-H94 WeakPolarHBondContact CG2-CE1 3.11Å; T77-H94 VanDerWaalsContact CG2-ND1 3.27Å; T77-H94 WeakPolarHBondContact CG2-ND1 3.33Å; T77-H94 PolarHBondContact OG1-ND1 2.77Å; H94-Y104 PolarHBondContact N-O 3.38Å; H94-Y104 PolarHBondContact O-N 3.34Å
95	V	87.6	Confident	79.5	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	29%	0.292	C	S	.	.			trans	-106.9	110.9	-166.4	178.1	0	0	0	0	111.1	R45 I49 S76 Y99 I121	R45-V95 PolarHBondContact NH2-O 3.48Å; I49-V95 HydrophobicContact CD1-CG1 3.58Å; I49-V95 HydrophobicContact CG1-CG1 4.05Å; S76-V95 VanDerWaalsContact O-CB 3.29Å; S76-V95 WeakPolarHBondContact O-CB 3.28Å; S76-V95 PolarHBondContact O-N 2.75Å; V95-Y99 HydrophobicContact CB-CD2 4.38Å; V95-Y99 HydrophobicContact CG1-CD2 3.35Å; V95-Y99 HydrophobicContact CG1-CE2 4.23Å; V95-Y99 HydrophobicContact CG1-CG 3.56Å; V95-Y99 HydrophobicContact CG2-CD2 4.28Å; V95-Y99 HydrophobicContact CG2-CE2 4.47Å; V95-I121 HydrophobicContact CG2-CD1 4.05Å
96	S	80.4	Confident	80.4	Confident	24 Å²	24	51.2 Å²	51.2	17%	0.168	28%	0.277	C	S	.	.			trans	-66.8	168.8	178.9	90.1	0	0	0	0	113	R45 D98 Y99 D101 N102	R45-S96 PolarHBondContact NE-O 3.11Å; R45-S96 PolarHBondContact NH2-O 3.07Å; S96-D98 PolarHBondContact O-N 2.93Å; S96-D98 PolarHBondContact OG-N 3.13Å; S96-Y99 PolarHBondContact O-N 3.04Å; S96-D101 PolarHBondContact OG-O 3.38Å; S96-N102 WeakPolarHBondContact CB-O 3.5Å
97	E	75.9	Confident	81.4	Confident	173 Å²	173	45 Å²	45	81%	0.808	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.7	172.4	-62.9	-157.7	139.2	0	0	112.4	R45 Y99	R45-E97 WeakPolarHBondContact CD-O 3.4Å; R45-E97 PolarHBondContact NE-O 2.91Å; R45-E97 VanDerWaalsContact NE-O 3.08Å; E97-Y99 VanDerWaalsContact C-N 3.33Å; E97-Y99 PolarHBondContact O-N 3.09Å
98	D	76	Confident	82	Confident	102 Å²	102	43.1 Å²	43.1	55%	0.545	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	8.5	-174.4	-53.5	-46.1	0	0	0	114.6	S96 D101 N102	S96-D98 PolarHBondContact O-N 2.93Å; S96-D98 PolarHBondContact OG-N 3.13Å; D98-D101 HydrophobicContact CB-CB 4.09Å; D98-D101 PolarHBondContact O-N 3.44Å; D98-D101 VanDerWaalsContact O-N 3.1Å; D98-N102 PolarHBondContact OD2-ND2 3.07Å
99	Y	78.8	Confident	81.6	Confident	7 Å²	7	43.1 Å²	43.1	3%	0.027	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.4	126.2	-173	-178.1	-99.4	0	0	0	115.4	I49 D52 V95 S96 E97 P120 I121	I49-Y99 HydrophobicContact CD1-CD1 4.26Å; I49-Y99 HydrophobicContact CD1-CG 4.3Å; I49-Y99 HydrophobicContact CG1-CD1 3.48Å; I49-Y99 VanDerWaalsContact CG1-CD1 3.48Å; I49-Y99 HydrophobicContact CG1-CD2 4.5Å; I49-Y99 HydrophobicContact CG1-CE1 3.76Å; I49-Y99 HydrophobicContact CG1-CG 3.89Å; D52-Y99 WeakPolarHBondContact OD2-CE1 3.39Å; D52-Y99 PolarHBondContact OD2-OH 2.64Å; V95-Y99 HydrophobicContact CB-CD2 4.38Å; V95-Y99 HydrophobicContact CG1-CD2 3.35Å; V95-Y99 HydrophobicContact CG1-CE2 4.23Å; V95-Y99 HydrophobicContact CG1-CG 3.56Å; V95-Y99 HydrophobicContact CG2-CD2 4.28Å; V95-Y99 HydrophobicContact CG2-CE2 4.47Å; S96-Y99 PolarHBondContact O-N 3.04Å; E97-Y99 VanDerWaalsContact C-N 3.33Å; E97-Y99 PolarHBondContact O-N 3.09Å; Y99-P120 WeakPolarHBondContact OH-CA 3.35Å; Y99-P120 WeakPolarHBondContact OH-CB 3.18Å; Y99-I121 HydrophobicContact CE2-CD1 4.11Å; Y99-I121 HydrophobicContact CE2-CG1 3.98Å; Y99-I121 PolarHBondContact OH-N 3.36Å
100	P	74.6	Confident	80.7	Confident	39 Å²	39	45.8 Å²	45.8	25%	0.253	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.1	-6.5	15	36.4	-38.8	0	0	0	116.2	T103 T118 P120	P100-T103 PolarHBondContact O-OG1 3.08Å; P100-T118 WeakPolarHBondContact CB-O 3.37Å; P100-P120 HydrophobicContact CB-CB 4.19Å
101	D	76.9	Confident	79.5	Confident	78 Å²	78	49.9 Å²	49.9	42%	0.417	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	147.9	-176.1	-62.4	-40.1	0	0	0	112.1	S96 D98 T103 T118	S96-D101 PolarHBondContact OG-O 3.38Å; D98-D101 HydrophobicContact CB-CB 4.09Å; D98-D101 PolarHBondContact O-N 3.44Å; D98-D101 VanDerWaalsContact O-N 3.1Å; D101-T103 VanDerWaalsContact C-N 3.3Å; D101-T103 PolarHBondContact O-N 2.94Å; D101-T118 HydrophobicContact CB-CG2 4.39Å; D101-T118 WeakPolarHBondContact OD1-CB 3.4Å; D101-T118 WeakPolarHBondContact OD1-CG2 3.48Å
102	N	77.9	Confident	78	Confident	73 Å²	73	58.5 Å²	58.5	39%	0.39	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.7	-178.6	-52.2	-52	0	0	0	113.9	S96 D98 Y104	S96-N102 WeakPolarHBondContact CB-O 3.5Å; D98-N102 PolarHBondContact OD2-ND2 3.07Å; N102-Y104 WeakPolarHBondContact O-CD2 3.44Å; N102-Y104 WeakPolarHBondContact O-CE2 3.45Å
103	T	83.9	Confident	76.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.1	173.6	-62.1	0	0	0	0	110	V93 P100 D101 T117 I124	V93-T103 HydrophobicContact CG1-CG2 3.5Å; V93-T103 VanDerWaalsContact CG1-CG2 3.5Å; P100-T103 PolarHBondContact O-OG1 3.08Å; D101-T103 VanDerWaalsContact C-N 3.3Å; D101-T103 PolarHBondContact O-N 2.94Å; T103-T117 PolarHBondContact N-O 3.14Å; T103-T117 PolarHBondContact O-N 3.03Å; T103-I124 HydrophobicContact CG2-CD1 3.64Å
104	Y	83.7	Confident	75.9	Confident	104 Å²	104	61.5 Å²	61.5	41%	0.408	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.9	-178.1	-58.5	-97	0	0	0	110.9	V93 H94 N102 V114 L115 V116	V93-Y104 CarbonylContact C-O 3.59Å; V93-Y104 WeakPolarHBondContact CA-O 3.15Å; H94-Y104 PolarHBondContact N-O 3.38Å; H94-Y104 PolarHBondContact O-N 3.34Å; N102-Y104 WeakPolarHBondContact O-CD2 3.44Å; N102-Y104 WeakPolarHBondContact O-CE2 3.45Å; Y104-V114 HydrophobicContact CD1-CG1 3.84Å; Y104-V114 HydrophobicContact CG-CG1 4.33Å; Y104-L115 CarbonylContact C-O 3.59Å; Y104-L115 WeakPolarHBondContact CA-O 3.2Å; Y104-V116 HydrophobicContact CD1-CG1 4.44Å; Y104-V116 HydrophobicContact CD1-CG2 3.77Å; Y104-V116 HydrophobicContact CE1-CG1 4.2Å; Y104-V116 HydrophobicContact CE1-CG2 3.73Å
105	V	85.5	Confident	75.2	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.2	178	-168.3	0	0	0	0	110.8	S92 V93 V114 L115 I124 I128	S92-V105 VanDerWaalsContact O-CA 3.3Å; S92-V105 WeakPolarHBondContact O-CA 3.33Å; V93-V105 HydrophobicContact CG1-CG2 4.37Å; V93-V105 HydrophobicContact CG2-CG1 4.22Å; V93-V105 HydrophobicContact CG2-CG2 4.29Å; V105-V114 WeakPolarHBondContact O-CA 3.47Å; V105-L115 HydrophobicContact CB-CB 4.28Å; V105-L115 PolarHBondContact N-O 3.3Å; V105-L115 PolarHBondContact O-N 3.08Å; V105-I124 HydrophobicContact CG1-CG2 4.36Å; V105-I124 HydrophobicContact CG2-CD1 4Å; V105-I124 HydrophobicContact CG2-CG2 3.74Å; V105-I128 HydrophobicContact CG1-CD1 4.1Å
106	S	83.9	Confident	74.9	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	172.4	174.8	62.9	0	0	0	0	111.5	Y91 S92	Y91-S106 WeakPolarHBondContact CA-O 3.38Å; S92-S106 PolarHBondContact N-O 3.29Å; S92-S106 PolarHBondContact O-N 3.09Å
107	S	83.2	Confident	74.7	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.3	-177.8	67.2	0	0	0	0	112.3	S90 E109 N110	S90-S107 CarbonylContact O-C 3.57Å; S90-S107 WeakPolarHBondContact O-CA 3.49Å; S107-E109 PolarHBondContact O-N 2.81Å; S107-N110 CarbonylContact O-C 3.57Å; S107-N110 VanDerWaalsContact O-C 3.24Å; S107-N110 PolarHBondContact O-N 2.87Å
108	S	76	Confident	75	Confident	67 Å²	67	58.4 Å²	58.4	47%	0.469	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	0.3	-170.3	71.1	0	0	0	0	116.6	S90	S90-S108 PolarHBondContact N-OG 2.8Å; S90-S108 PolarHBondContact O-N 3.14Å
109	E	67.8	Low	75.3	Confident	82 Å²	82	55.1 Å²	55.1	38%	0.383	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-11.2	166.8	-61.3	-145.2	127.1	0	0	112.9	K87 V89 S107 I138	K87-E109 WeakPolarHBondContact CD-OE1 3.39Å; K87-E109 WeakPolarHBondContact CE-OE1 3.37Å; K87-E109 IonicContact NZ-OE1 3.34Å; K87-E109 PolarHBondContact NZ-OE1 2.68Å; K87-E109 IonicContact NZ-OE2 2.85Å; K87-E109 PolarHBondContact NZ-OE2 3.13Å; V89-E109 HydrophobicContact CG1-CG 4.45Å; V89-E109 HydrophobicContact CG2-CG 3.71Å; S107-E109 PolarHBondContact O-N 2.81Å; E109-I138 VanDerWaalsContact OE2-CG2 3.29Å; E109-I138 WeakPolarHBondContact OE2-CG2 3.41Å
110	N	63.3	Low	75.7	Confident	58 Å²	58	56.9 Å²	56.9	31%	0.31	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	82.5	-175	-146.2	32.8	0	0	0	111.1	S107 E112 D113	S107-N110 CarbonylContact O-C 3.57Å; S107-N110 VanDerWaalsContact O-C 3.24Å; S107-N110 PolarHBondContact O-N 2.87Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 2.94Å; N110-D113 PolarHBondContact ND2-OD2 2.73Å
111	D	60	Low	76.3	Confident	115 Å²	115	55 Å²	55	62%	0.615	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	-20.4	-178.7	-80.6	-38.5	0	0	0	113.8
112	E	55.7	Low	76.9	Confident	182 Å²	182	52.9 Å²	52.9	85%	0.85	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	-24.8	-179.5	-61	-71.8	145.7	0	0	113.2	N110 V114	N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 2.94Å; E112-V114 PolarHBondContact O-N 2.81Å
113	D	62.8	Low	77.2	Confident	31 Å²	31	52.3 Å²	52.3	17%	0.166	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	71.8	-178.8	-100.5	-55.7	0	0	0	111.6	N110 L142 R145	N110-D113 PolarHBondContact ND2-OD2 2.73Å; D113-L142 WeakPolarHBondContact OD2-CD2 3.47Å; D113-R145 IonicContact OD1-CZ 3.8Å; D113-R145 IonicContact OD1-NH1 2.73Å; D113-R145 PolarHBondContact OD1-NH1 3.32Å
114	V	71.7	Confident	77.2	Confident	59 Å²	59	52.6 Å²	52.6	36%	0.358	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.6	176.7	-172.6	0	0	0	0	111.2	Y104 V105 E112	Y104-V114 HydrophobicContact CD1-CG1 3.84Å; Y104-V114 HydrophobicContact CG-CG1 4.33Å; V105-V114 WeakPolarHBondContact O-CA 3.47Å; E112-V114 PolarHBondContact O-N 2.81Å
115	L	74.6	Confident	77.4	Confident	27 Å²	27	47.9 Å²	47.9	14%	0.141	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.6	170.3	174.6	70.3	0	0	0	109.9	Y104 V105 I144	Y104-L115 CarbonylContact C-O 3.59Å; Y104-L115 WeakPolarHBondContact CA-O 3.2Å; V105-L115 HydrophobicContact CB-CB 4.28Å; V105-L115 PolarHBondContact N-O 3.3Å; V105-L115 PolarHBondContact O-N 3.08Å; L115-I144 HydrophobicContact CD1-CG2 4.07Å; L115-I144 HydrophobicContact CD2-CB 4.47Å; L115-I144 HydrophobicContact CD2-CD1 4.34Å; L115-I144 HydrophobicContact CD2-CG2 3.71Å
116	V	79.6	Confident	77.3	Confident	80 Å²	80	52 Å²	52	49%	0.485	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.4	169.7	-166.7	0	0	0	0	109	Y104	Y104-V116 HydrophobicContact CD1-CG1 4.44Å; Y104-V116 HydrophobicContact CD1-CG2 3.77Å; Y104-V116 HydrophobicContact CE1-CG1 4.2Å; Y104-V116 HydrophobicContact CE1-CG2 3.73Å
117	T	76.9	Confident	77.1	Confident	21 Å²	21	56.3 Å²	56.3	13%	0.129	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.1	177.5	-172.6	0	0	0	0	112.7	T103 D119 I124	T103-T117 PolarHBondContact N-O 3.14Å; T103-T117 PolarHBondContact O-N 3.03Å; T117-D119 HydrophobicContact CG2-CB 3.98Å; T117-D119 WeakPolarHBondContact OG1-CB 3.42Å; T117-D119 PolarHBondContact OG1-N 2.61Å; T117-D119 PolarHBondContact OG1-OD2 3.39Å; T117-I124 HydrophobicContact CG2-CD1 3.71Å; T117-I124 HydrophobicContact CG2-CG1 3.94Å
118	T	81.8	Confident	77	Confident	85 Å²	85	56.2 Å²	56.2	52%	0.521	30%	0.302	S	S	.	.			trans	-101.6	5.2	167	57.2	0	0	0	0	112.3	P100 D101	P100-T118 WeakPolarHBondContact CB-O 3.37Å; D101-T118 HydrophobicContact CB-CG2 4.39Å; D101-T118 WeakPolarHBondContact OD1-CB 3.4Å; D101-T118 WeakPolarHBondContact OD1-CG2 3.48Å
119	D	82.7	Confident	77.2	Confident	32 Å²	32	53.2 Å²	53.2	17%	0.171	28%	0.281	C	S	.	.			trans	-68.7	138.3	174.8	-67.3	-58.4	0	0	0	111.4	T117 V123 I124 R127	T117-D119 HydrophobicContact CG2-CB 3.98Å; T117-D119 WeakPolarHBondContact OG1-CB 3.42Å; T117-D119 PolarHBondContact OG1-N 2.61Å; T117-D119 PolarHBondContact OG1-OD2 3.39Å; D119-V123 HydrophobicContact CB-CB 4.17Å; D119-V123 HydrophobicContact CB-CG1 3.98Å; D119-V123 WeakPolarHBondContact OD1-CG1 3.27Å; D119-I124 HydrophobicContact CB-CG1 3.82Å; D119-I124 VanDerWaalsContact O-CD1 3.31Å; D119-I124 WeakPolarHBondContact O-CD1 3.14Å; D119-R127 IonicContact OD2-CZ 2.92Å; D119-R127 IonicContact OD2-NH1 2.83Å; D119-R127 PolarHBondContact OD2-NH1 2.88Å; D119-R127 IonicContact OD2-NH2 2.77Å
120	P	87.6	Confident	77.6	Confident	44 Å²	44	51.5 Å²	51.5	29%	0.286	28%	0.276	S	S	.	.			trans	-72.8	158.2	171.1	31.6	-35.4	0	0	0	111.8	Y99 P100 P122 V123 I124	Y99-P120 WeakPolarHBondContact OH-CA 3.35Å; Y99-P120 WeakPolarHBondContact OH-CB 3.18Å; P100-P120 HydrophobicContact CB-CB 4.19Å; P120-P122 VanDerWaalsContact C-N 3.31Å; P120-P122 WeakPolarHBondContact O-CD 3.21Å; P120-V123 HydrophobicContact CG-CB 4.35Å; P120-V123 HydrophobicContact CG-CG2 3.91Å; P120-V123 WeakPolarHBondContact O-CB 3.24Å; P120-V123 PolarHBondContact O-N 3.27Å; P120-I124 PolarHBondContact O-N 3.16Å; P120-I124 VanDerWaalsContact O-N 3.12Å
121	I	87.4	Confident	78	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-43.4	-41.8	-178.4	-71.4	163.1	0	0	0	114.8	I49 D52 I53 V56 F78 V93 V95 Y99 V123 I124 F125	I49-I121 HydrophobicContact CG2-CD1 4.11Å; D52-I121 HydrophobicContact CB-CB 4.27Å; I53-I121 HydrophobicContact CD1-CD1 4.32Å; I53-I121 HydrophobicContact CG1-CD1 3.96Å; I53-I121 HydrophobicContact CG1-CG2 4.37Å; V56-I121 HydrophobicContact CG2-CG2 3.99Å; F78-I121 HydrophobicContact CB-CD1 4.41Å; F78-I121 HydrophobicContact CD1-CG2 3.61Å; F78-I121 HydrophobicContact CE1-CG2 3.7Å; F78-I121 HydrophobicContact CG-CG2 4.48Å; V93-I121 HydrophobicContact CG1-CG1 4.1Å; V95-I121 HydrophobicContact CG2-CD1 4.05Å; Y99-I121 HydrophobicContact CE2-CD1 4.11Å; Y99-I121 HydrophobicContact CE2-CG1 3.98Å; Y99-I121 PolarHBondContact OH-N 3.36Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 3.45Å; I121-I124 PolarHBondContact O-N 2.93Å; I121-F125 WeakPolarHBondContact O-CB 3.14Å; I121-F125 PolarHBondContact O-N 2.78Å
122	P	88.2	Confident	78.5	Confident	32 Å²	32	44.5 Å²	44.5	21%	0.208	24%	0.238	C	C	.	.	H	α-helix	trans	-70.8	-28.7	-178.3	-17.1	33.6	0	0	0	113.1	D52 V55 V56 P120 H126	D52-P122 HydrophobicContact CB-CG 3.81Å; V55-P122 HydrophobicContact CG1-CB 4.23Å; V55-P122 HydrophobicContact CG1-CG 4.4Å; V56-P122 HydrophobicContact CG2-CB 4.19Å; V56-P122 HydrophobicContact CG2-CG 4.49Å; P120-P122 VanDerWaalsContact C-N 3.31Å; P120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-H126 VanDerWaalsContact O-CB 3.25Å; P122-H126 WeakPolarHBondContact O-CB 3.33Å; P122-H126 PolarHBondContact O-N 2.96Å
123	V	84.3	Confident	79.2	Confident	61 Å²	61	41.2 Å²	41.2	37%	0.37	22%	0.217	S	C	.	.	H	α-helix	trans	-77.3	-43.5	176.2	176	0	0	0	0	109.9	D119 P120 I121 H126 R127	D119-V123 HydrophobicContact CB-CB 4.17Å; D119-V123 HydrophobicContact CB-CG1 3.98Å; D119-V123 WeakPolarHBondContact OD1-CG1 3.27Å; P120-V123 HydrophobicContact CG-CB 4.35Å; P120-V123 HydrophobicContact CG-CG2 3.91Å; P120-V123 WeakPolarHBondContact O-CB 3.24Å; P120-V123 PolarHBondContact O-N 3.27Å; I121-V123 VanDerWaalsContact C-N 3.33Å; I121-V123 PolarHBondContact O-N 3.45Å; V123-H126 PolarHBondContact O-N 3.46Å; V123-R127 PolarHBondContact O-N 2.93Å
124	I	84.6	Confident	79.4	Confident	7 Å²	7	47 Å²	47	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-53.9	172.4	-64.6	173.6	0	0	0	110.3	V93 T103 V105 T117 D119 P120 I121 H126 R127 I128	V93-I124 HydrophobicContact CG1-CD1 3.83Å; V93-I124 HydrophobicContact CG2-CG2 3.93Å; T103-I124 HydrophobicContact CG2-CD1 3.64Å; V105-I124 HydrophobicContact CG1-CG2 4.36Å; V105-I124 HydrophobicContact CG2-CD1 4Å; V105-I124 HydrophobicContact CG2-CG2 3.74Å; T117-I124 HydrophobicContact CG2-CD1 3.71Å; T117-I124 HydrophobicContact CG2-CG1 3.94Å; D119-I124 HydrophobicContact CB-CG1 3.82Å; D119-I124 VanDerWaalsContact O-CD1 3.31Å; D119-I124 WeakPolarHBondContact O-CD1 3.14Å; P120-I124 PolarHBondContact O-N 3.16Å; P120-I124 VanDerWaalsContact O-N 3.12Å; I121-I124 PolarHBondContact O-N 2.93Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 2.86Å; I124-R127 PolarHBondContact O-N 3.13Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 2.95Å; I124-I128 PolarHBondContact O-N 2.99Å; I124-I128 VanDerWaalsContact O-N 3.08Å
125	F	87.1	Confident	78.7	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-42.5	177.8	178.3	-95.8	0	0	0	111.7	V56 S60 F68 F71 F80 I121 A129	V56-F125 HydrophobicContact CB-CD1 4.45Å; V56-F125 HydrophobicContact CB-CG 4.38Å; V56-F125 HydrophobicContact CG1-CB 4.14Å; V56-F125 HydrophobicContact CG1-CD1 3.75Å; V56-F125 HydrophobicContact CG1-CD2 3.57Å; V56-F125 HydrophobicContact CG1-CE1 4Å; V56-F125 HydrophobicContact CG1-CE2 3.84Å; V56-F125 HydrophobicContact CG1-CG 3.52Å; V56-F125 HydrophobicContact CG1-CZ 4.05Å; V56-F125 HydrophobicContact CG2-CB 3.75Å; V56-F125 HydrophobicContact CG2-CD1 4.12Å; V56-F125 HydrophobicContact CG2-CG 3.95Å; S60-F125 VanDerWaalsContact OG-CZ 3.29Å; S60-F125 WeakPolarHBondContact OG-CZ 3.37Å; F68-F125 HydrophobicContact CB-CE2 4.27Å; F68-F125 HydrophobicContact CB-CZ 4.24Å; F68-F125 HydrophobicContact CD1-CE2 4.01Å; F68-F125 HydrophobicContact CD1-CZ 4.44Å; F68-F125 HydrophobicContact CD2-CE2 4.26Å; F68-F125 AromaticContact CD2-CZ 3.86Å; F68-F125 HydrophobicContact CD2-CZ 3.86Å; F68-F125 HydrophobicContact CE1-CE2 4.45Å; F68-F125 HydrophobicContact CE2-CZ 4.38Å; F68-F125 AromaticContact CG-CE2 3.9Å; F68-F125 HydrophobicContact CG-CE2 3.9Å; F68-F125 AromaticContact CG-CZ 3.91Å; F68-F125 HydrophobicContact CG-CZ 3.91Å; F71-F125 AromaticContact CE1-CE2 3.89Å; F71-F125 HydrophobicContact CE1-CE2 3.89Å; F71-F125 HydrophobicContact CE1-CZ 4.34Å; F71-F125 HydrophobicContact CZ-CE2 4.37Å; F71-F125 HydrophobicContact CZ-CZ 4.47Å; F80-F125 HydrophobicContact CD1-CD2 4.2Å; F80-F125 AromaticContact CD2-CD2 3.83Å; F80-F125 HydrophobicContact CD2-CD2 3.83Å; F80-F125 AromaticContact CD2-CE2 3.78Å; F80-F125 HydrophobicContact CD2-CE2 3.78Å; F80-F125 HydrophobicContact CE1-CD2 4Å; F80-F125 AromaticContact CE2-CD2 3.61Å; F80-F125 HydrophobicContact CE2-CD2 3.61Å; F80-F125 AromaticContact CE2-CE2 3.87Å; F80-F125 HydrophobicContact CE2-CE2 3.87Å; F80-F125 HydrophobicContact CG-CD2 4.12Å; F80-F125 HydrophobicContact CG-CE2 4.25Å; F80-F125 AromaticContact CZ-CD2 3.71Å; F80-F125 HydrophobicContact CZ-CD2 3.71Å; F80-F125 HydrophobicContact CZ-CE2 4.43Å; I121-F125 WeakPolarHBondContact O-CB 3.14Å; I121-F125 PolarHBondContact O-N 2.78Å; F125-A129 HydrophobicContact CE1-CB 4.32Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.11Å
126	H	83.6	Confident	77.8	Confident	90 Å²	90	52.4 Å²	52.4	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-43.9	178.3	-172	4.3	0	0	0	112.5	P122 V123 I124 A129 T130	P122-H126 VanDerWaalsContact O-CB 3.25Å; P122-H126 WeakPolarHBondContact O-CB 3.33Å; P122-H126 PolarHBondContact O-N 2.96Å; V123-H126 PolarHBondContact O-N 3.46Å; I124-H126 VanDerWaalsContact C-N 3.32Å; I124-H126 PolarHBondContact O-N 2.86Å; H126-A129 PolarHBondContact O-N 3.48Å; H126-T130 PolarHBondContact CE1-OG1 2.93Å; H126-T130 PolarHBondContact ND1-OG1 3.29Å; H126-T130 VanDerWaalsContact ND1-OG1 3.07Å; H126-T130 VanDerWaalsContact O-CB 3.32Å; H126-T130 WeakPolarHBondContact O-CB 3.33Å; H126-T130 PolarHBondContact O-N 2.64Å; H126-T130 PolarHBondContact O-OG1 3.32Å
127	R	79.6	Confident	76.6	Confident	97 Å²	97	52.8 Å²	52.8	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-46.7	178.7	-171.9	-179.5	-79.2	140	-1.3	110.7	D119 V123 I124 T130 E131	D119-R127 IonicContact OD2-CZ 2.92Å; D119-R127 IonicContact OD2-NH1 2.83Å; D119-R127 PolarHBondContact OD2-NH1 2.88Å; D119-R127 IonicContact OD2-NH2 2.77Å; V123-R127 PolarHBondContact O-N 2.93Å; I124-R127 PolarHBondContact O-N 3.13Å; R127-T130 PolarHBondContact O-N 2.85Å; R127-E131 PolarHBondContact O-N 2.91Å
128	I	81.2	Confident	75.5	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-48	176.2	-68.5	166.4	0	0	0	111	F80 Y91 V105 I124 T130 E131 L132 I144	F80-I128 HydrophobicContact CE2-CG2 4.2Å; F80-I128 HydrophobicContact CZ-CD1 3.96Å; F80-I128 HydrophobicContact CZ-CG2 4.3Å; Y91-I128 HydrophobicContact CD1-CD1 4.26Å; Y91-I128 HydrophobicContact CD1-CG2 4.41Å; Y91-I128 HydrophobicContact CD2-CG2 4.16Å; Y91-I128 HydrophobicContact CE1-CG2 4.29Å; Y91-I128 HydrophobicContact CE2-CG2 4.02Å; Y91-I128 HydrophobicContact CG-CD1 4.49Å; Y91-I128 HydrophobicContact CG-CG2 4.35Å; V105-I128 HydrophobicContact CG1-CD1 4.1Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 2.95Å; I124-I128 PolarHBondContact O-N 2.99Å; I124-I128 VanDerWaalsContact O-N 3.08Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.05Å; I128-E131 PolarHBondContact O-N 3.09Å; I128-L132 HydrophobicContact CG2-CD1 3.71Å; I128-L132 HydrophobicContact CG2-CG 4.48Å; I128-L132 WeakPolarHBondContact O-CB 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 3.04Å; I128-I144 HydrophobicContact CG1-CD1 4.3Å
129	A	80	Confident	74.1	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-29.9	-179.5	0	0	0	0	0	113.8	F68 F125 H126 R133	F68-A129 HydrophobicContact CE2-CB 3.64Å; F68-A129 HydrophobicContact CZ-CB 3.77Å; F125-A129 HydrophobicContact CE1-CB 4.32Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 3.11Å; H126-A129 PolarHBondContact O-N 3.48Å; A129-R133 WeakPolarHBondContact O-CD 2.99Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-R133 PolarHBondContact O-NE 3.04Å
130	T	77.1	Confident	72.7	Confident	45 Å²	45	51.9 Å²	51.9	28%	0.276	26%	0.261	S	S	.	.	H	α-helix	trans	-79.3	-39	176.6	-71.7	0	0	0	0	112.3	H126 R127 I128 K134	H126-T130 PolarHBondContact CE1-OG1 2.93Å; H126-T130 PolarHBondContact ND1-OG1 3.29Å; H126-T130 VanDerWaalsContact ND1-OG1 3.07Å; H126-T130 VanDerWaalsContact O-CB 3.32Å; H126-T130 WeakPolarHBondContact O-CB 3.33Å; H126-T130 PolarHBondContact O-N 2.64Å; H126-T130 PolarHBondContact O-OG1 3.32Å; R127-T130 PolarHBondContact O-N 2.85Å; I128-T130 VanDerWaalsContact C-N 3.31Å; I128-T130 PolarHBondContact O-N 3.05Å; T130-K134 HydrophobicContact CG2-CD 4.33Å; T130-K134 WeakPolarHBondContact O-CG 3.48Å; T130-K134 PolarHBondContact O-N 3.33Å
131	E	71.3	Confident	70.8	Confident	24 Å²	24	50.5 Å²	50.5	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-71.9	-41.3	179.3	-155	80.9	152.3	0	0	111.2	R127 I128 R133 K134 T135 K147	R127-E131 PolarHBondContact O-N 2.91Å; I128-E131 PolarHBondContact O-N 3.09Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 3.42Å; E131-K134 WeakPolarHBondContact O-CB 3.34Å; E131-K134 PolarHBondContact O-N 3.35Å; E131-T135 PolarHBondContact O-N 3.18Å; E131-T135 VanDerWaalsContact O-N 3.09Å; E131-T135 PolarHBondContact O-OG1 3.09Å; E131-K147 IonicContact OE1-NZ 3.78Å; E131-K147 PolarHBondContact OE1-NZ 3.3Å; E131-K147 IonicContact OE2-NZ 2.73Å
132	L	71.8	Confident	68.8	Low	2 Å²	2	54.6 Å²	54.6	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-38.8	174.3	-75.3	168.7	0	0	0	112.7	F68 Y82 Y91 I128 K134 N136 C140	F68-L132 HydrophobicContact CE1-CD1 3.99Å; F68-L132 HydrophobicContact CZ-CD1 3.88Å; Y82-L132 HydrophobicContact CD1-CD1 4.44Å; Y82-L132 HydrophobicContact CD1-CD2 4.5Å; Y82-L132 HydrophobicContact CD2-CD1 3.96Å; Y82-L132 HydrophobicContact CE2-CB 4.37Å; Y82-L132 HydrophobicContact CE2-CD1 4.37Å; Y82-L132 HydrophobicContact CG-CD1 3.97Å; Y91-L132 HydrophobicContact CE2-CD1 3.96Å; I128-L132 HydrophobicContact CG2-CD1 3.71Å; I128-L132 HydrophobicContact CG2-CG 4.48Å; I128-L132 WeakPolarHBondContact O-CB 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 3.04Å; L132-K134 VanDerWaalsContact C-N 3.25Å; L132-K134 PolarHBondContact O-N 2.89Å; L132-N136 PolarHBondContact O-N 2.85Å; L132-C140 HydrophobicContact CD2-CB 4.21Å; L132-C140 HydrophobicContact CG-CB 4.47Å
133	R	70.2	Confident	67	Low	113 Å²	113	55.5 Å²	55.5	43%	0.426	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-17.2	174.5	-73.4	174	-153.4	-159	1.3	113.9	E63 A129 E131	E63-R133 VanDerWaalsContact CD-NH2 3.29Å; E63-R133 IonicContact OE1-CZ 2.69Å; E63-R133 IonicContact OE1-NH1 3.36Å; E63-R133 PolarHBondContact OE1-NH1 3.1Å; E63-R133 IonicContact OE1-NH2 3.83Å; E63-R133 PolarHBondContact OE1-NH2 3.04Å; E63-R133 VanDerWaalsContact OE1-NH2 3.08Å; E63-R133 IonicContact OE2-CZ 3.28Å; E63-R133 IonicContact OE2-NH1 3.68Å; E63-R133 IonicContact OE2-NH2 3.08Å; E63-R133 PolarHBondContact OE2-NH2 2.98Å; A129-R133 WeakPolarHBondContact O-CD 2.99Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-R133 PolarHBondContact O-NE 3.04Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 3.42Å
134	K	65.3	Low	65.4	Low	154 Å²	154	53.2 Å²	53.2	67%	0.67	27%	0.266	S	S	*	.	H	α-helix	trans	-93.5	-35.6	-179.5	-76.7	176	177.1	-176.2	0	113.1	T130 E131 L132	T130-K134 HydrophobicContact CG2-CD 4.33Å; T130-K134 WeakPolarHBondContact O-CG 3.48Å; T130-K134 PolarHBondContact O-N 3.33Å; E131-K134 WeakPolarHBondContact O-CB 3.34Å; E131-K134 PolarHBondContact O-N 3.35Å; L132-K134 VanDerWaalsContact C-N 3.25Å; L132-K134 PolarHBondContact O-N 2.89Å
135	T	58.3	Low	63.6	Low	69 Å²	69	59.5 Å²	59.5	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-105.5	-29.2	-171.5	61	0	0	0	0	114.3	E131 D137	E131-T135 PolarHBondContact O-N 3.18Å; E131-T135 VanDerWaalsContact O-N 3.09Å; E131-T135 PolarHBondContact O-OG1 3.09Å; T135-D137 PolarHBondContact O-N 2.97Å; T135-D137 PolarHBondContact OG1-N 3.13Å; T135-D137 VanDerWaalsContact OG1-N 3.09Å
136	N	55.6	Low	61.5	Low	129 Å²	129	63 Å²	63	69%	0.69	31%	0.314	S	S	*	.			trans	52.8	8.4	-159.1	-72.7	-39.2	0	0	0	114.6	L132	L132-N136 PolarHBondContact O-N 2.85Å
137	D	54.8	Low	59.5	Low	89 Å²	89	64.4 Å²	64.4	48%	0.476	32%	0.319	S	S	.	.			trans	-91.9	137.1	178.3	-166.2	-15.2	0	0	0	109.5	T135 N139	T135-D137 PolarHBondContact O-N 2.97Å; T135-D137 PolarHBondContact OG1-N 3.13Å; T135-D137 VanDerWaalsContact OG1-N 3.09Å; D137-N139 PolarHBondContact OD1-N 2.92Å; D137-N139 PolarHBondContact OD1-ND2 3.02Å
138	I	53.2	Low	57.8	Low	32 Å²	32	63.6 Å²	63.6	16%	0.164	32%	0.322	C	S	.	.	S	Bend	trans	-85.3	-22.1	-164.8	-55.8	178	0	0	0	110.6	K87 V89 E109 C140	K87-I138 HydrophobicContact CB-CD1 4.12Å; K87-I138 HydrophobicContact CD-CD1 3.97Å; K87-I138 HydrophobicContact CG-CD1 4.09Å; V89-I138 HydrophobicContact CB-CG2 4.37Å; V89-I138 HydrophobicContact CG2-CG2 3.33Å; E109-I138 VanDerWaalsContact OE2-CG2 3.29Å; E109-I138 WeakPolarHBondContact OE2-CG2 3.41Å; I138-C140 PolarHBondContact O-N 3.07Å
139	N	53.2	Low	55.7	Low	83 Å²	83	70.6 Å²	70.6	44%	0.444	36%	0.355	S	S	.	.			trans	-77.8	42	-179.2	-63	-76.2	0	0	0	114.1	D137 C141 L142	D137-N139 PolarHBondContact OD1-N 2.92Å; D137-N139 PolarHBondContact OD1-ND2 3.02Å; N139-C141 VanDerWaalsContact C-N 3.29Å; N139-C141 PolarHBondContact O-N 3.32Å; N139-C141 VanDerWaalsContact O-N 3.14Å; N139-L142 HydrophobicContact CB-CD1 4.48Å; N139-L142 PolarHBondContact O-N 3.18Å
140	C	52.3	Low	53.7	Low	4 Å²	4	78.5 Å²	78.5	3%	0.027	39%	0.388	C	S	.	.	H	α-helix	trans	-56.5	-33.3	-169	-172.7	0	0	0	0	114.8	L132 I138 L142 S143	L132-C140 HydrophobicContact CD2-CB 4.21Å; L132-C140 HydrophobicContact CG-CB 4.47Å; I138-C140 PolarHBondContact O-N 3.07Å; C140-L142 VanDerWaalsContact C-N 3.31Å; C140-L142 PolarHBondContact O-N 3.29Å; C140-S143 PolarHBondContact O-N 2.88Å
141	C	48.6	Very low	51.8	Low	14 Å²	14	84.4 Å²	84.4	10%	0.095	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-34.4	-176	-62.5	0	0	0	0	113.8	N139 I144	N139-C141 VanDerWaalsContact C-N 3.29Å; N139-C141 PolarHBondContact O-N 3.32Å; N139-C141 VanDerWaalsContact O-N 3.14Å; C141-I144 PolarHBondContact O-N 2.87Å
142	L	45.3	Very low	50	Low	88 Å²	88	89.9 Å²	89.9	46%	0.461	44%	0.443	S	S	.	.	H	α-helix	trans	-67.2	-39.4	-178.5	-68.5	172.5	0	0	0	112.3	D113 N139 C140 I144 R145 S146	D113-L142 WeakPolarHBondContact OD2-CD2 3.47Å; N139-L142 HydrophobicContact CB-CD1 4.48Å; N139-L142 PolarHBondContact O-N 3.18Å; C140-L142 VanDerWaalsContact C-N 3.31Å; C140-L142 PolarHBondContact O-N 3.29Å; L142-I144 VanDerWaalsContact C-N 3.34Å; L142-I144 PolarHBondContact O-N 3.37Å; L142-R145 PolarHBondContact O-N 3.38Å; L142-S146 PolarHBondContact O-N 3.46Å
143	S	49.6	Very low	48.2	Very low	50 Å²	50	92.4 Å²	92.4	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-31.2	-179	-65.2	0	0	0	0	113.3	C140	C140-S143 PolarHBondContact O-N 2.88Å
144	I	51.8	Low	46.3	Very low	13 Å²	13	96 Å²	96	7%	0.067	49%	0.491	C	S	.	.	H	α-helix	trans	-68	-39.9	178	-60	170.8	0	0	0	110.4	L115 I128 C141 L142 S146	L115-I144 HydrophobicContact CD1-CG2 4.07Å; L115-I144 HydrophobicContact CD2-CB 4.47Å; L115-I144 HydrophobicContact CD2-CD1 4.34Å; L115-I144 HydrophobicContact CD2-CG2 3.71Å; I128-I144 HydrophobicContact CG1-CD1 4.3Å; C141-I144 PolarHBondContact O-N 2.87Å; L142-I144 VanDerWaalsContact C-N 3.34Å; L142-I144 PolarHBondContact O-N 3.37Å; I144-S146 VanDerWaalsContact C-N 3.34Å; I144-S146 PolarHBondContact O-N 2.86Å
145	R	45.8	Very low	44.5	Very low	139 Å²	139	98.6 Å²	98.6	53%	0.525	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-35.7	179.3	-153.7	174.3	-167.3	167.2	4.1	112.7	D113 L142	D113-R145 IonicContact OD1-CZ 3.8Å; D113-R145 IonicContact OD1-NH1 2.73Å; D113-R145 PolarHBondContact OD1-NH1 3.32Å; L142-R145 PolarHBondContact O-N 3.38Å
146	S	42.3	Very low	43.2	Very low	78 Å²	78	99.6 Å²	99.6	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-67.8	-35.7	-176.2	-174.4	0	0	0	0	114.1	L142 I144	L142-S146 PolarHBondContact O-N 3.46Å; I144-S146 VanDerWaalsContact C-N 3.34Å; I144-S146 PolarHBondContact O-N 2.86Å
147	K	43.1	Very low	42	Very low	120 Å²	120	104.6 Å²	104.6	52%	0.522	53%	0.525	S	S	.	.	H	α-helix	trans	-74	-41	-178.6	-71.4	167	179.9	165.7	0	112.2	E131 Q149 K150	E131-K147 IonicContact OE1-NZ 3.78Å; E131-K147 PolarHBondContact OE1-NZ 3.3Å; E131-K147 IonicContact OE2-NZ 2.73Å; K147-Q149 PolarHBondContact O-N 3.46Å; K147-Q149 VanDerWaalsContact O-N 3.17Å; K147-K150 PolarHBondContact O-N 3.04Å; K147-K150 VanDerWaalsContact O-N 3.12Å
148	L	43.6	Very low	40.6	Very low	81 Å²	81	109.1 Å²	109.1	42%	0.424	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-20.3	-179.5	-80.1	161.6	0	0	0	114.9	N152	L148-N152 PolarHBondContact O-ND2 2.8Å
149	Q	35.8	Very low	39.2	Very low	151 Å²	151	114.9 Å²	114.9	71%	0.706	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-18.6	176.2	-72.3	-170	-32.2	0	0	114.1	K147	K147-Q149 PolarHBondContact O-N 3.46Å; K147-Q149 VanDerWaalsContact O-N 3.17Å
150	K	38.2	Very low	37.9	Very low	170 Å²	170	116.1 Å²	116.1	74%	0.739	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-33.5	-178.4	-82.8	-163.4	165.8	-162.7	0	114.1	K147 N152	K147-K150 PolarHBondContact O-N 3.04Å; K147-K150 VanDerWaalsContact O-N 3.12Å; K150-N152 PolarHBondContact O-N 2.78Å
151	E	37.5	Very low	36.6	Very low	169 Å²	169	122.6 Å²	122.6	79%	0.79	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-12.7	179.8	-65.7	174.8	145.9	0	0	113.3
152	N	34.4	Very low	35.8	Very low	140 Å²	140	127.4 Å²	127.4	75%	0.749	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	9.4	-176	-68.6	-75.3	0	0	0	113.8	L148 K150	L148-N152 PolarHBondContact O-ND2 2.8Å; K150-N152 PolarHBondContact O-N 2.78Å
153	G	32.6	Very low	35.2	Very low	55 Å²	55	131.9 Å²	131.9	57%	0.567	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-38.2	-163.8	0	0	0	0	0	117.9
154	E	30.3	Very low	34.4	Very low	187 Å²	187	137.7 Å²	137.7	87%	0.874	70%	0.698	S	S	*	*			trans	-134.9	50.6	-156.5	-63.6	-170	128.9	0	0	115.6
155	E	28.1	Very low	33.3	Very low	209 Å²	209	144.7 Å²	144.7	98%	0.977	74%	0.735	S	S	*	*			trans	-98.6	72.3	159.5	-78.8	-149.6	133.2	0	0	111.8
156	S	32.1	Very low	33.1	Very low	91 Å²	91	144 Å²	144	64%	0.636	75%	0.751	S	S	*	*	S	Bend	trans	-158.8	107.7	167.9	145.4	0	0	0	0	111.2
157	R	28.8	Very low	32.9	Very low	234 Å²	234	149.2 Å²	149.2	88%	0.883	77%	0.767	S	S	*	*			trans	72.4	137.4	-174.7	-45.1	160.5	175.5	174.6	-3	111
158	Q	25.5	Very low	32.4	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	78%	0.781	S	S	*	*			cis	-140.1	163.4	29.6	-69.1	171.1	-33.3	0	0	113.2
159	N	24	Very low	31.8	Very low	154 Å²	154	150.9 Å²	150.9	82%	0.824	80%	0.801	S	S	*	*			trans	-86.6	143.7	166.8	-70.7	-14.6	0	0	0	110.8
160	S	26.1	Very low	31.8	Very low	108 Å²	108	151 Å²	151	76%	0.755	81%	0.807	S	S	*	*			trans	37	115.8	144.2	64.6	0	0	0	0	120
161	T	25.3	Very low	31.5	Very low	140 Å²	140	150.6 Å²	150.6	86%	0.859	81%	0.812	S	S	*	*				-147.3	150.7	121.6	-29.5	0	0	0	0	109.5
162	V	31.6	Very low	31.4	Very low	116 Å²	116	147.7 Å²	147.7	70%	0.703	81%	0.811	S	S	*	*			trans	-100.3	145.1	169	176.7	0	0	0	0	107
163	E	32.2	Very low	31.3	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	82%	0.821	S	S	*	*			trans	-147.3	157.5	144.1	-77.1	-50.4	161.2	0	0	109
164	E	33	Very low	31.2	Very low	173 Å²	173	156.7 Å²	156.7	81%	0.808	83%	0.834	S	S	*	*			trans	-99.2	-153.2	-177.3	-61.4	-173.4	95.4	0	0	111.9
165	D	29.4	Very low	31.1	Very low	160 Å²	160	157.5 Å²	157.5	86%	0.856	83%	0.834	S	S	*	*			trans	67.8	102.9	167.6	-61.9	-11.9	0	0	0	119.7
166	S	41	Very low	31.5	Very low	123 Å²	123	158 Å²	158	86%	0.86	83%	0.829	S	S	*	*				-169.8	137.8	95.5	-175.9	0	0	0	0	111.5
167	E	37.9	Very low	31.3	Very low	188 Å²	188	164.7 Å²	164.7	88%	0.879	84%	0.842	S	S	*	*			trans	-74.4	165.3	173.3	-61.6	-177.2	145.8	0	0	112.5
168	G	33.8	Very low	31.3	Very low	78 Å²	78	156.9 Å²	156.9	80%	0.804	84%	0.835	S	S	*	*			trans	-175	75.1	179.4	0	0	0	0	0	113.2
169	D	30.9	Very low	31.6	Very low	158 Å²	158	151.9 Å²	151.9	85%	0.845	83%	0.832	S	S	*	*			trans	-57.2	143.1	173.6	-75.1	-36.1	0	0	0	112.8
170	N	35.5	Very low	31.8	Very low	155 Å²	155	154 Å²	154	83%	0.829	84%	0.837	S	S	*	*			trans	-156.1	99.7	152.7	-165.4	30.3	0	0	0	110.8
171	D	31.3	Very low	31.9	Very low	160 Å²	160	154.1 Å²	154.1	86%	0.856	83%	0.833	S	S	*	*			trans	-70.2	133.7	178.4	-81.9	-43.9	0	0	0	112.8
172	S	35	Very low	32	Very low	109 Å²	109	154.1 Å²	154.1	76%	0.762	83%	0.828	S	S	*	*			trans	-152.7	99.2	159.3	64.5	0	0	0	0	111.1	E174	S172-E174 PolarHBondContact O-N 2.94Å
173	E	33.9	Very low	32.1	Very low	206 Å²	206	158.8 Å²	158.8	96%	0.963	83%	0.834	S	S	*	*			trans	-70.6	117.3	163.6	-80.5	-157.6	132	0	0	110.3
174	E	30.4	Very low	32.4	Very low	178 Å²	178	156.4 Å²	156.4	83%	0.832	83%	0.827	S	S	*	*			trans	-141.9	101.9	157.2	-164.8	162.9	-156.8	0	0	112.6	S172	S172-E174 PolarHBondContact O-N 2.94Å
175	F	27.1	Very low	32.9	Very low	203 Å²	203	151.5 Å²	151.5	89%	0.89	82%	0.823	S	S	*	*			trans	40.4	132.2	151.3	-83.7	-96.9	0	0	0	122.7	Y177	F175-Y177 PolarHBondContact O-N 3.22Å
176	Y	36.5	Very low	34	Very low	219 Å²	219	151.2 Å²	151.2	86%	0.859	82%	0.816	S	S	*	*			trans	-52.4	122	163.8	-87.7	-115.7	0	0	0	113
177	Y	29.3	Very low	35	Very low	232 Å²	232	148.8 Å²	148.8	91%	0.91	79%	0.793	S	S	*	*				178	112.5	114.4	-108.6	-76.4	0	0	0	111.6	F175	F175-Y177 PolarHBondContact O-N 3.22Å
178	G	27.9	Very low	36.7	Very low	71 Å²	71	146.7 Å²	146.7	73%	0.732	78%	0.783	S	S	*	*			trans	154.7	124.7	169.7	0	0	0	0	0	113.1	Q180	G178-Q180 PolarHBondContact O-N 2.83Å
179	G	32.5	Very low	39.1	Very low	78 Å²	78	146.5 Å²	146.5	80%	0.804	76%	0.76	S	S	*	*			trans	-78.3	109.5	174	0	0	0	0	0	110.7	V181	G179-V181 PolarHBondContact O-N 3.26Å; G179-V181 VanDerWaalsContact O-N 3.09Å
180	Q	28.1	Very low	41.9	Very low	199 Å²	199	141 Å²	141	93%	0.93	73%	0.729	S	S	*	*			trans	-68.2	104.1	167.4	-78.2	178.7	-41.8	0	0	109.5	G178 N182	G178-Q180 PolarHBondContact O-N 2.83Å; Q180-N182 PolarHBondContact O-N 3.18Å
181	V	26.9	Very low	44.4	Very low	109 Å²	109	138.7 Å²	138.7	66%	0.661	72%	0.723	S	S	*	*			trans	-73.9	101.8	162.8	-177.8	0	0	0	0	106.5	G179 Y183	G179-V181 PolarHBondContact O-N 3.26Å; G179-V181 VanDerWaalsContact O-N 3.09Å; V181-Y183 HydrophobicContact CB-CD2 4.29Å; V181-Y183 HydrophobicContact CG1-CD2 3.69Å; V181-Y183 HydrophobicContact CG1-CE2 3.76Å; V181-Y183 PolarHBondContact O-N 3.41Å
182	N	27.4	Very low	47.2	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	70%	0.701	S	S	*	*			trans	-66.4	106.3	175.8	-167.7	34.2	0	0	0	108.8	Q180 D184	Q180-N182 PolarHBondContact O-N 3.18Å; N182-D184 PolarHBondContact O-N 2.71Å
183	Y	33.7	Very low	49.9	Very low	213 Å²	213	130 Å²	130	84%	0.835	67%	0.665	S	S	*	*			trans	-90.1	39.4	-174.3	-115.4	-73.4	0	0	0	112.3	V181 G185	V181-Y183 HydrophobicContact CB-CD2 4.29Å; V181-Y183 HydrophobicContact CG1-CD2 3.69Å; V181-Y183 HydrophobicContact CG1-CE2 3.76Å; V181-Y183 PolarHBondContact O-N 3.41Å; Y183-G185 PolarHBondContact O-N 2.99Å
184	D	38.5	Very low	52.6	Low	132 Å²	132	123 Å²	123	71%	0.706	63%	0.632	S	S	*	*			trans	-88.1	102.1	167.4	-143.2	-9.9	0	0	0	107.9	N182 E186	N182-D184 PolarHBondContact O-N 2.71Å; D184-E186 PolarHBondContact O-N 2.86Å
185	G	44.7	Very low	55.6	Low	69 Å²	69	116.9 Å²	116.9	71%	0.711	61%	0.612	S	S	*	*			trans	-80.1	27.2	-154.9	0	0	0	0	0	116.4	Y183 L187	Y183-G185 PolarHBondContact O-N 2.99Å; G185-L187 PolarHBondContact O-N 3.03Å
186	E	52.8	Low	58.8	Low	155 Å²	155	107.3 Å²	107.3	72%	0.724	57%	0.57	S	S	*	*			trans	-77.4	117.5	-173.6	-164.5	170.1	-126.2	0	0	111.7	D184 H188	D184-E186 PolarHBondContact O-N 2.86Å; E186-H188 PolarHBondContact O-N 2.92Å; E186-H188 PolarHBondContact O-ND1 2.69Å
187	L	60.9	Low	61.6	Low	71 Å²	71	96.9 Å²	96.9	37%	0.372	53%	0.529	S	S	.	.			trans	-72.9	93.3	-178.3	-76.3	167.7	0	0	0	111.1	G185 K189 L255 T256	G185-L187 PolarHBondContact O-N 3.03Å; L187-K189 PolarHBondContact O-N 2.77Å; L187-L255 HydrophobicContact CB-CD2 4.03Å; L187-L255 WeakPolarHBondContact O-CD2 3.44Å; L187-T256 HydrophobicContact CD2-CG2 4.05Å
188	H	73.8	Confident	64.6	Low	145 Å²	145	88.4 Å²	88.4	67%	0.671	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62	130.3	-177.8	-74.7	46.3	0	0	0	112.5	E186	E186-H188 PolarHBondContact O-N 2.92Å; E186-H188 PolarHBondContact O-ND1 2.69Å
189	K	84.3	Confident	67.8	Low	73 Å²	73	86 Å²	86	32%	0.317	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-61.4	134.1	179.1	-64.4	175	-179.9	172.3	0	111.1	L187 E194 L211 E213 L255	L187-K189 PolarHBondContact O-N 2.77Å; K189-E194 VanDerWaalsContact CD-OE2 3.31Å; K189-E194 WeakPolarHBondContact CD-OE2 3.3Å; K189-L211 HydrophobicContact CD-CD2 4.47Å; K189-E213 WeakPolarHBondContact CE-OE1 3.31Å; K189-E213 WeakPolarHBondContact CE-OE2 3.39Å; K189-E213 VanDerWaalsContact NZ-CD 3.32Å; K189-E213 IonicContact NZ-OE1 3.69Å; K189-E213 PolarHBondContact NZ-OE1 2.68Å; K189-E213 IonicContact NZ-OE2 3.7Å; K189-E213 PolarHBondContact NZ-OE2 3.07Å; K189-L255 HydrophobicContact CG-CD1 4Å; K189-L255 HydrophobicContact CG-CG 4.42Å
190	H	88.6	Confident	70.8	Confident	42 Å²	42	82.2 Å²	82.2	19%	0.194	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-59.1	129.4	174.9	-178.6	-90.2	0	0	0	110.5	Q192 L193 E194 L255 T256 N260	H190-Q192 VanDerWaalsContact C-N 3.28Å; H190-Q192 PolarHBondContact ND1-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.22Å; H190-Q192 VanDerWaalsContact O-N 3.07Å; H190-L193 HydrophobicContact CB-CB 4.44Å; H190-L193 WeakPolarHBondContact O-CA 3.27Å; H190-L193 VanDerWaalsContact O-CB 3.25Å; H190-L193 WeakPolarHBondContact O-CB 3.49Å; H190-L193 PolarHBondContact O-N 3.48Å; H190-E194 PolarHBondContact O-N 2.89Å; H190-L255 WeakPolarHBondContact CB-O 3.46Å; H190-L255 PolarHBondContact N-O 2.91Å; H190-L255 VanDerWaalsContact N-O 3.15Å; H190-T256 PolarHBondContact CD2-O 3.44Å; H190-T256 VanDerWaalsContact CD2-O 3.3Å; H190-N260 PolarHBondContact NE2-ND2 3.46Å
191	P	88.4	Confident	74	Confident	107 Å²	107	77.2 Å²	77.2	70%	0.695	41%	0.411	S	S	*	.	H	α-helix	trans	-56.9	-33.8	-170.2	-30.7	36.3	0	0	0	115.7	L193 E194 A195	P191-L193 VanDerWaalsContact C-N 3.28Å; P191-L193 PolarHBondContact O-N 3.13Å; P191-E194 PolarHBondContact O-N 2.74Å; P191-A195 PolarHBondContact O-N 3.17Å; P191-A195 VanDerWaalsContact O-N 3.13Å
192	Q	90.3	Very high	77.3	Confident	86 Å²	86	80.1 Å²	80.1	40%	0.402	42%	0.417	S	S	.	.	H	α-helix	trans	-69	-24.7	175	-169.8	63.8	62.5	0	0	113	H190 D196 Y258 L259	H190-Q192 VanDerWaalsContact C-N 3.28Å; H190-Q192 PolarHBondContact ND1-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.22Å; H190-Q192 VanDerWaalsContact O-N 3.07Å; Q192-D196 PolarHBondContact NE2-OD1 3.41Å; Q192-D196 WeakPolarHBondContact O-CB 3.25Å; Q192-D196 PolarHBondContact O-N 2.99Å; Q192-Y258 HydrophobicContact CB-CD1 4.27Å; Q192-Y258 HydrophobicContact CG-CD1 4.41Å; Q192-Y258 HydrophobicContact CG-CE1 4.3Å; Q192-L259 HydrophobicContact CG-CD1 3.7Å
193	L	91.5	Very high	80.5	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-69.4	-48.1	175	176.6	56.7	0	0	0	110	H190 P191 A195 D196 L197 I222 L255 Y258 L528	H190-L193 HydrophobicContact CB-CB 4.44Å; H190-L193 WeakPolarHBondContact O-CA 3.27Å; H190-L193 VanDerWaalsContact O-CB 3.25Å; H190-L193 WeakPolarHBondContact O-CB 3.49Å; H190-L193 PolarHBondContact O-N 3.48Å; P191-L193 VanDerWaalsContact C-N 3.28Å; P191-L193 PolarHBondContact O-N 3.13Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.18Å; L193-D196 PolarHBondContact O-N 3.02Å; L193-L197 HydrophobicContact CD1-CD1 3.98Å; L193-L197 HydrophobicContact CD1-CD2 4.48Å; L193-L197 HydrophobicContact CD1-CG 3.96Å; L193-L197 HydrophobicContact CG-CD1 3.87Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 VanDerWaalsContact O-CG 3.22Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.26Å; L193-I222 HydrophobicContact CD1-CD1 3.53Å; L193-I222 HydrophobicContact CD1-CG1 4.36Å; L193-L255 HydrophobicContact CD2-CD1 4.05Å; L193-Y258 HydrophobicContact CB-CD1 3.78Å; L193-Y258 HydrophobicContact CB-CD2 4.3Å; L193-Y258 HydrophobicContact CB-CE1 4.3Å; L193-Y258 HydrophobicContact CB-CG 3.78Å; L193-Y258 HydrophobicContact CD1-CD1 4.48Å; L193-Y258 HydrophobicContact CD1-CD2 3.87Å; L193-Y258 HydrophobicContact CD1-CE1 4.4Å; L193-Y258 HydrophobicContact CD1-CE2 3.8Å; L193-Y258 HydrophobicContact CD1-CG 4.23Å; L193-Y258 HydrophobicContact CG-CD2 4.47Å; L193-Y258 HydrophobicContact CG-CG 4.43Å; L193-L528 HydrophobicContact CD1-CD1 4.37Å
194	E	91.9	Very high	83.2	Confident	60 Å²	60	70 Å²	70	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-32.3	179.3	-158.5	60.6	-126.2	0	0	112.3	K189 H190 P191 S198 R201	K189-E194 VanDerWaalsContact CD-OE2 3.31Å; K189-E194 WeakPolarHBondContact CD-OE2 3.3Å; H190-E194 PolarHBondContact O-N 2.89Å; P191-E194 PolarHBondContact O-N 2.74Å; E194-S198 VanDerWaalsContact O-CB 3.26Å; E194-S198 WeakPolarHBondContact O-CB 3.25Å; E194-S198 PolarHBondContact O-N 3.41Å; E194-S198 PolarHBondContact O-OG 3.12Å; E194-R201 IonicContact OE1-CZ 2.77Å; E194-R201 IonicContact OE1-NH1 2.74Å; E194-R201 PolarHBondContact OE1-NH1 2.9Å; E194-R201 IonicContact OE1-NH2 3.9Å
195	A	92.7	Very high	85.8	Confident	49 Å²	49	64.8 Å²	64.8	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-47.9	170.2	0	0	0	0	0	112.3	P191 L193 S198 A199	P191-A195 PolarHBondContact O-N 3.17Å; P191-A195 VanDerWaalsContact O-N 3.13Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.18Å; A195-S198 PolarHBondContact O-N 3.43Å; A195-A199 WeakPolarHBondContact O-CB 3.35Å; A195-A199 PolarHBondContact O-N 2.82Å
196	D	94.6	Very high	87.9	Confident	2 Å²	2	66 Å²	66	1%	0.011	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.3	-83.7	32.8	0	0	0	112.3	Q192 L193 A199 V200 Y258 G526 F527 L528	Q192-D196 PolarHBondContact NE2-OD1 3.41Å; Q192-D196 WeakPolarHBondContact O-CB 3.25Å; Q192-D196 PolarHBondContact O-N 2.99Å; L193-D196 PolarHBondContact O-N 3.02Å; D196-A199 PolarHBondContact O-N 3.17Å; D196-V200 WeakPolarHBondContact O-CG2 3.32Å; D196-V200 PolarHBondContact O-N 3.45Å; D196-V200 VanDerWaalsContact O-N 3.09Å; D196-Y258 HydrophobicContact CB-CE1 4.46Å; D196-Y258 PolarHBondContact OD2-OH 3.01Å; D196-G526 WeakPolarHBondContact OD1-CA 3.49Å; D196-F527 WeakPolarHBondContact OD2-CA 3.21Å; D196-F527 WeakPolarHBondContact OD2-CB 3.17Å; D196-F527 PolarHBondContact OD2-N 3.49Å; D196-L528 HydrophobicContact CB-CB 4.23Å; D196-L528 HydrophobicContact CB-CD1 3.92Å; D196-L528 HydrophobicContact CB-CG 3.85Å; D196-L528 PolarHBondContact OD2-N 3.47Å; D196-L528 VanDerWaalsContact OD2-N 3.16Å
197	L	94.1	Very high	89.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-43.7	175.2	-72.1	170.1	0	0	0	111.1	L193 V200 R201 V209 L211 I222 L528	L193-L197 HydrophobicContact CD1-CD1 3.98Å; L193-L197 HydrophobicContact CD1-CD2 4.48Å; L193-L197 HydrophobicContact CD1-CG 3.96Å; L193-L197 HydrophobicContact CG-CD1 3.87Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 VanDerWaalsContact O-CG 3.22Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.26Å; L197-V200 PolarHBondContact O-N 3.39Å; L197-R201 VanDerWaalsContact O-CG 3.28Å; L197-R201 WeakPolarHBondContact O-CG 3.37Å; L197-R201 PolarHBondContact O-N 2.6Å; L197-V209 HydrophobicContact CD2-CB 4.49Å; L197-V209 HydrophobicContact CD2-CG1 4.13Å; L197-V209 HydrophobicContact CD2-CG2 3.54Å; L197-L211 HydrophobicContact CD1-CD1 4.31Å; L197-L211 HydrophobicContact CD1-CD2 3.98Å; L197-L211 HydrophobicContact CD2-CD1 4.49Å; L197-I222 HydrophobicContact CD2-CG2 4.26Å; L197-L528 HydrophobicContact CD2-CD1 3.74Å; L197-L528 HydrophobicContact CG-CD1 4.11Å
198	S	93.9	Very high	91.2	Very high	55 Å²	55	63.4 Å²	63.4	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.3	-60.3	0	0	0	0	111.6	E194 A195 V200 R201 E202	E194-S198 VanDerWaalsContact O-CB 3.26Å; E194-S198 WeakPolarHBondContact O-CB 3.25Å; E194-S198 PolarHBondContact O-N 3.41Å; E194-S198 PolarHBondContact O-OG 3.12Å; A195-S198 PolarHBondContact O-N 3.43Å; S198-V200 PolarHBondContact O-N 2.89Å; S198-R201 PolarHBondContact O-N 2.99Å; S198-E202 WeakPolarHBondContact O-CB 3.42Å; S198-E202 PolarHBondContact O-N 3.43Å
199	A	94.9	Very high	92.3	Very high	19 Å²	19	56.9 Å²	56.9	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-39.2	176.7	0	0	0	0	0	112.8	A195 D196 E202 I203 V529	A195-A199 WeakPolarHBondContact O-CB 3.35Å; A195-A199 PolarHBondContact O-N 2.82Å; D196-A199 PolarHBondContact O-N 3.17Å; A199-E202 PolarHBondContact O-N 3.49Å; A199-I203 WeakPolarHBondContact O-CB 3.18Å; A199-I203 WeakPolarHBondContact O-CD1 3.32Å; A199-I203 VanDerWaalsContact O-CG1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 3.23Å; A199-I203 VanDerWaalsContact O-N 3.07Å; A199-V529 HydrophobicContact CB-CG2 3.92Å
200	V	95.5	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-44.6	173.4	173.6	0	0	0	0	111.4	D196 L197 S198 E202 I203 Y204 A208 V209 L528 V529 I532	D196-V200 WeakPolarHBondContact O-CG2 3.32Å; D196-V200 PolarHBondContact O-N 3.45Å; D196-V200 VanDerWaalsContact O-N 3.09Å; L197-V200 PolarHBondContact O-N 3.39Å; S198-V200 PolarHBondContact O-N 2.89Å; V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 PolarHBondContact O-N 3.34Å; V200-I203 PolarHBondContact O-N 3.35Å; V200-Y204 HydrophobicContact CG1-CD2 4.46Å; V200-Y204 PolarHBondContact O-N 2.84Å; V200-A208 HydrophobicContact CG1-CB 3.99Å; V200-V209 HydrophobicContact CB-CB 4.46Å; V200-V209 HydrophobicContact CB-CG1 4.02Å; V200-V209 HydrophobicContact CG1-CB 3.83Å; V200-V209 HydrophobicContact CG1-CG1 3.74Å; V200-L528 HydrophobicContact CG2-CB 3.61Å; V200-V529 HydrophobicContact CG2-CG2 3.68Å; V200-I532 HydrophobicContact CB-CD1 4.44Å; V200-I532 HydrophobicContact CG1-CD1 3.56Å; V200-I532 HydrophobicContact CG2-CD1 3.98Å
201	R	95.5	Very high	92.9	Very high	94 Å²	94	55.1 Å²	55.1	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-35.1	177.8	-68.3	167.5	-173.9	142.6	-2.4	112.5	E194 L197 S198 G205 V209	E194-R201 IonicContact OE1-CZ 2.77Å; E194-R201 IonicContact OE1-NH1 2.74Å; E194-R201 PolarHBondContact OE1-NH1 2.9Å; E194-R201 IonicContact OE1-NH2 3.9Å; L197-R201 VanDerWaalsContact O-CG 3.28Å; L197-R201 WeakPolarHBondContact O-CG 3.37Å; L197-R201 PolarHBondContact O-N 2.6Å; S198-R201 PolarHBondContact O-N 2.99Å; R201-G205 CarbonylContact O-C 3.53Å; R201-G205 VanDerWaalsContact O-C 3.23Å; R201-G205 WeakPolarHBondContact O-CA 3.41Å; R201-G205 PolarHBondContact O-N 2.83Å; R201-G205 VanDerWaalsContact O-N 3.13Å; R201-V209 HydrophobicContact CG-CG1 3.96Å
202	E	95.2	Very high	93	Very high	169 Å²	169	53.9 Å²	53.9	79%	0.79	28%	0.283	S	S	*	.	H	α-helix	trans	-71.8	-45.2	177.2	-173.4	-178.3	173.3	0	0	112.3	S198 A199 V200	S198-E202 WeakPolarHBondContact O-CB 3.42Å; S198-E202 PolarHBondContact O-N 3.43Å; A199-E202 PolarHBondContact O-N 3.49Å; V200-E202 VanDerWaalsContact C-N 3.29Å; V200-E202 PolarHBondContact O-N 3.34Å
203	I	94	Very high	92.8	Very high	70 Å²	70	54.2 Å²	54.2	36%	0.359	28%	0.284	S	S	.	.	H	α-helix	trans	-81.8	-42.1	-172.7	-64.1	167.8	0	0	0	112.3	A199 V200 R525 V529	A199-I203 WeakPolarHBondContact O-CB 3.18Å; A199-I203 WeakPolarHBondContact O-CD1 3.32Å; A199-I203 VanDerWaalsContact O-CG1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 3.23Å; A199-I203 VanDerWaalsContact O-N 3.07Å; V200-I203 PolarHBondContact O-N 3.35Å; I203-R525 HydrophobicContact CD1-CB 4.21Å; I203-R525 HydrophobicContact CD1-CG 4.25Å; I203-V529 HydrophobicContact CD1-CG1 3.89Å; I203-V529 HydrophobicContact CD1-CG2 3.95Å
204	Y	92	Very high	92.2	Very high	72 Å²	72	59.3 Å²	59.3	28%	0.282	30%	0.304	S	S	.	.	H	α-helix	trans	-110.8	-3.7	-173.1	-65.8	-84.8	0	0	0	113.5	V200 A208 V529 I532 E533 E536	V200-Y204 HydrophobicContact CG1-CD2 4.46Å; V200-Y204 PolarHBondContact O-N 2.84Å; Y204-A208 HydrophobicContact CG-CB 4.5Å; Y204-V529 HydrophobicContact CE2-CG1 4.35Å; Y204-I532 HydrophobicContact CD1-CG2 4.2Å; Y204-I532 HydrophobicContact CD2-CD1 3.97Å; Y204-I532 HydrophobicContact CD2-CG2 4.3Å; Y204-I532 HydrophobicContact CE1-CG2 3.61Å; Y204-I532 HydrophobicContact CE2-CB 4.03Å; Y204-I532 HydrophobicContact CE2-CD1 4.12Å; Y204-I532 HydrophobicContact CE2-CG2 3.73Å; Y204-I532 HydrophobicContact CG-CD1 4.48Å; Y204-I532 WeakPolarHBondContact OH-CG2 3.25Å; Y204-E533 WeakPolarHBondContact OH-CG 3.23Å; Y204-E536 WeakPolarHBondContact CE1-OE1 3.45Å; Y204-E536 WeakPolarHBondContact CE1-OE2 3.48Å; Y204-E536 PolarHBondContact OH-OE2 2.86Å
205	G	92.4	Very high	90.8	Very high	22 Å²	22	60.5 Å²	60.5	23%	0.227	33%	0.333	C	S	.	.			trans	93.7	166.1	178.6	0	0	0	0	0	114.3	R201 H207 A208	R201-G205 CarbonylContact O-C 3.53Å; R201-G205 VanDerWaalsContact O-C 3.23Å; R201-G205 WeakPolarHBondContact O-CA 3.41Å; R201-G205 PolarHBondContact O-N 2.83Å; R201-G205 VanDerWaalsContact O-N 3.13Å; G205-H207 PolarHBondContact O-N 3.03Å; G205-H207 VanDerWaalsContact O-N 3.11Å; G205-A208 WeakPolarHBondContact O-CB 3.05Å; G205-A208 PolarHBondContact O-N 2.76Å; G205-A208 VanDerWaalsContact O-N 3.07Å
206	P	89.6	Confident	89.6	Confident	95 Å²	95	63 Å²	63	62%	0.617	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.9	-167.4	25.8	-35.8	0	0	0	114.4
207	H	91.2	Very high	88.8	Confident	162 Å²	162	67.3 Å²	67.3	75%	0.75	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.7	179.5	-55.8	-55.7	0	0	0	113.8	G205 V209 H225	G205-H207 PolarHBondContact O-N 3.03Å; G205-H207 VanDerWaalsContact O-N 3.11Å; H207-V209 VanDerWaalsContact C-N 3.33Å; H207-H225 PolarHBondContact O-ND1 2.82Å
208	A	91.6	Very high	88.2	Confident	9 Å²	9	69.1 Å²	69.1	7%	0.074	39%	0.385	C	S	.	.	S	Bend	trans	-78.5	-13.9	-178.3	0	0	0	0	0	114.4	V200 Y204 G205 H225	V200-A208 HydrophobicContact CG1-CB 3.99Å; Y204-A208 HydrophobicContact CG-CB 4.5Å; G205-A208 WeakPolarHBondContact O-CB 3.05Å; G205-A208 PolarHBondContact O-N 2.76Å; G205-A208 VanDerWaalsContact O-N 3.07Å; A208-H225 PolarHBondContact O-N 2.72Å
209	V	95.7	Very high	87.8	Confident	9 Å²	9	70.8 Å²	70.8	6%	0.055	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.8	172.3	59.8	0	0	0	0	110.9	L197 V200 R201 H207 I222 D223 L224	L197-V209 HydrophobicContact CD2-CB 4.49Å; L197-V209 HydrophobicContact CD2-CG1 4.13Å; L197-V209 HydrophobicContact CD2-CG2 3.54Å; V200-V209 HydrophobicContact CB-CB 4.46Å; V200-V209 HydrophobicContact CB-CG1 4.02Å; V200-V209 HydrophobicContact CG1-CB 3.83Å; V200-V209 HydrophobicContact CG1-CG1 3.74Å; R201-V209 HydrophobicContact CG-CG1 3.96Å; H207-V209 VanDerWaalsContact C-N 3.33Å; V209-I222 HydrophobicContact CG2-CG2 3.79Å; V209-D223 WeakPolarHBondContact CA-O 3.03Å; V209-L224 HydrophobicContact CB-CD2 4.17Å; V209-L224 HydrophobicContact CG2-CD2 3.79Å
210	S	93.7	Very high	87.6	Confident	43 Å²	43	70 Å²	70	30%	0.301	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.5	166.9	65.3	0	0	0	0	111.1	D223 H225	S210-D223 PolarHBondContact N-O 2.73Å; S210-D223 PolarHBondContact O-N 3.45Å; S210-D223 WeakPolarHBondContact OG-CB 3.32Å; S210-H225 PolarHBondContact OG-NE2 3.48Å
211	L	92.1	Very high	87.6	Confident	35 Å²	35	70.2 Å²	70.2	18%	0.183	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	-175.2	-164.1	71.7	0	0	0	107.8	K189 L197 E213 V220 D221 I222	K189-L211 HydrophobicContact CD-CD2 4.47Å; L197-L211 HydrophobicContact CD1-CD1 4.31Å; L197-L211 HydrophobicContact CD1-CD2 3.98Å; L197-L211 HydrophobicContact CD2-CD1 4.49Å; L211-E213 HydrophobicContact CD2-CG 4.01Å; L211-E213 WeakPolarHBondContact CD2-OE1 3.41Å; L211-E213 HydrophobicContact CG-CG 4.14Å; L211-V220 HydrophobicContact CD1-CG2 3.5Å; L211-V220 VanDerWaalsContact CD1-CG2 3.5Å; L211-V220 HydrophobicContact CD2-CG2 4.43Å; L211-V220 HydrophobicContact CG-CG2 3.74Å; L211-D221 WeakPolarHBondContact CA-O 3.26Å; L211-I222 HydrophobicContact CD1-CB 4.41Å; L211-I222 HydrophobicContact CD1-CG1 3.69Å
212	R	90.4	Very high	87.6	Confident	81 Å²	81	65.7 Å²	65.7	31%	0.306	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.6	168.5	-72.7	177.2	-59.8	-70.7	-22.7	109.6	V220 D221 D223 R250	R212-V220 VanDerWaalsContact O-CG2 3.27Å; R212-V220 WeakPolarHBondContact O-CG2 3.3Å; R212-D221 HydrophobicContact CB-CB 4.3Å; R212-D221 IonicContact CZ-OD2 3.32Å; R212-D221 PolarHBondContact N-O 3.4Å; R212-D221 IonicContact NE-OD2 2.71Å; R212-D221 PolarHBondContact NE-OD2 2.7Å; R212-D221 IonicContact NH2-OD2 3.97Å; R212-D221 PolarHBondContact NH2-OD2 2.89Å; R212-D221 PolarHBondContact O-N 2.67Å; R212-D221 VanDerWaalsContact O-N 3.11Å; R212-D223 IonicContact CZ-OD1 2.76Å; R212-D223 IonicContact CZ-OD2 2.69Å; R212-D223 IonicContact NH1-OD1 3.91Å; R212-D223 IonicContact NH1-OD2 3.85Å; R212-D223 PolarHBondContact NH1-OD2 3.39Å; R212-D223 IonicContact NH2-OD1 3.35Å; R212-D223 PolarHBondContact NH2-OD1 3.22Å; R212-D223 IonicContact NH2-OD2 2.99Å; R212-D223 PolarHBondContact NH2-OD2 3.18Å; R212-R250 VanDerWaalsContact CZ-NH2 3.34Å; R212-R250 VanDerWaalsContact NH2-NE 3.14Å
213	E	85.2	Confident	87.7	Confident	93 Å²	93	57.9 Å²	57.9	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.4	-175.8	-64.9	166.2	-120.2	0	0	109.3	K189 L211 G215 V220 L255	K189-E213 WeakPolarHBondContact CE-OE1 3.31Å; K189-E213 WeakPolarHBondContact CE-OE2 3.39Å; K189-E213 VanDerWaalsContact NZ-CD 3.32Å; K189-E213 IonicContact NZ-OE1 3.69Å; K189-E213 PolarHBondContact NZ-OE1 2.68Å; K189-E213 IonicContact NZ-OE2 3.7Å; K189-E213 PolarHBondContact NZ-OE2 3.07Å; L211-E213 HydrophobicContact CD2-CG 4.01Å; L211-E213 WeakPolarHBondContact CD2-OE1 3.41Å; L211-E213 HydrophobicContact CG-CG 4.14Å; E213-G215 PolarHBondContact O-N 3.46Å; E213-V220 HydrophobicContact CG-CG2 3.98Å; E213-L255 HydrophobicContact CG-CD1 4.35Å
214	Y	80.7	Confident	87.8	Confident	107 Å²	107	54.5 Å²	54.5	42%	0.42	31%	0.313	S	S	.	.			trans	-96.8	83.2	179.5	-66	-76	0	0	0	109.3	A216 I217	Y214-A216 PolarHBondContact O-N 3.06Å; Y214-I217 PolarHBondContact O-N 3.09Å
215	G	61.1	Low	88	Confident	85 Å²	85	53.3 Å²	53.3	88%	0.876	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	7.8	-166.1	0	0	0	0	0	119.7	E213	E213-G215 PolarHBondContact O-N 3.46Å
216	A	67.2	Low	88.1	Confident	100 Å²	100	52.3 Å²	52.3	83%	0.826	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	3.2	169.3	0	0	0	0	0	113.7	Y214	Y214-A216 PolarHBondContact O-N 3.06Å
217	I	78	Confident	88.1	Confident	93 Å²	93	51.8 Å²	51.8	48%	0.477	29%	0.291	S	S	.	.	S	Bend	trans	-141.6	146.3	-173.3	-46.4	-178.9	0	0	0	108.7	Y214 D219	Y214-I217 PolarHBondContact O-N 3.09Å; I217-D219 HydrophobicContact CG2-CB 3.98Å; I217-D219 WeakPolarHBondContact CG2-OD2 3.38Å; I217-D219 PolarHBondContact O-N 3.21Å; I217-D219 VanDerWaalsContact O-N 3.14Å
218	D	82.2	Confident	88	Confident	39 Å²	39	44 Å²	44	21%	0.209	26%	0.255	C	S	.	.	S	Bend	trans	-72.2	7.1	173.8	-178.7	45.7	0	0	0	113.4	S254 L255 T256 Q257	D218-S254 CarbonylContact O-C 3.52Å; D218-S254 WeakPolarHBondContact O-CA 3.18Å; D218-S254 PolarHBondContact OD1-OG 3.49Å; D218-S254 WeakPolarHBondContact OD2-CB 3.04Å; D218-S254 PolarHBondContact OD2-OG 3.49Å; D218-L255 PolarHBondContact O-N 3.21Å; D218-T256 VanDerWaalsContact CG-OG1 3.25Å; D218-T256 VanDerWaalsContact OD1-CB 3.29Å; D218-T256 WeakPolarHBondContact OD1-CB 3.41Å; D218-T256 VanDerWaalsContact OD1-CG2 3.29Å; D218-T256 WeakPolarHBondContact OD1-CG2 3.18Å; D218-T256 PolarHBondContact OD1-N 3.43Å; D218-T256 PolarHBondContact OD1-OG1 3.38Å; D218-T256 PolarHBondContact OD2-OG1 2.84Å; D218-Q257 PolarHBondContact OD2-NE2 2.84Å
219	D	85.8	Confident	87.7	Confident	90 Å²	90	46.3 Å²	46.3	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.9	-179.6	-68.7	-43	0	0	0	111.6	I217 C253	I217-D219 HydrophobicContact CG2-CB 3.98Å; I217-D219 WeakPolarHBondContact CG2-OD2 3.38Å; I217-D219 PolarHBondContact O-N 3.21Å; I217-D219 VanDerWaalsContact O-N 3.14Å; D219-C253 CarbonylContact C-O 3.49Å; D219-C253 WeakPolarHBondContact CA-O 3.37Å
220	V	91.6	Very high	87.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.6	179.2	68.5	0	0	0	0	111.3	L211 R212 E213 C253 L255	L211-V220 HydrophobicContact CD1-CG2 3.5Å; L211-V220 VanDerWaalsContact CD1-CG2 3.5Å; L211-V220 HydrophobicContact CD2-CG2 4.43Å; L211-V220 HydrophobicContact CG-CG2 3.74Å; R212-V220 VanDerWaalsContact O-CG2 3.27Å; R212-V220 WeakPolarHBondContact O-CG2 3.3Å; E213-V220 HydrophobicContact CG-CG2 3.98Å; V220-C253 WeakPolarHBondContact CG1-O 3.18Å; V220-C253 PolarHBondContact N-O 3.13Å; V220-C253 PolarHBondContact O-N 2.81Å; V220-L255 HydrophobicContact CB-CB 4.21Å; V220-L255 HydrophobicContact CB-CD1 3.89Å; V220-L255 HydrophobicContact CG1-CB 4.1Å; V220-L255 HydrophobicContact CG1-CD1 3.91Å; V220-L255 HydrophobicContact CG2-CD1 3.88Å
221	D	94.2	Very high	86.3	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.6	166.9	-75	5.2	0	0	0	109.8	L211 R212 R250 H252	L211-D221 WeakPolarHBondContact CA-O 3.26Å; R212-D221 HydrophobicContact CB-CB 4.3Å; R212-D221 IonicContact CZ-OD2 3.32Å; R212-D221 PolarHBondContact N-O 3.4Å; R212-D221 IonicContact NE-OD2 2.71Å; R212-D221 PolarHBondContact NE-OD2 2.7Å; R212-D221 IonicContact NH2-OD2 3.97Å; R212-D221 PolarHBondContact NH2-OD2 2.89Å; R212-D221 PolarHBondContact O-N 2.67Å; R212-D221 VanDerWaalsContact O-N 3.11Å; D221-R250 HydrophobicContact CB-CG 4.38Å; D221-R250 WeakPolarHBondContact OD2-CD 3.49Å; D221-R250 IonicContact OD2-CZ 3.51Å; D221-R250 VanDerWaalsContact OD2-CZ 3.28Å; D221-R250 IonicContact OD2-NE 3.03Å; D221-R250 PolarHBondContact OD2-NE 3.15Å; D221-R250 IonicContact OD2-NH1 3.33Å; D221-R250 PolarHBondContact OD2-NH1 2.83Å; D221-H252 IonicContact OD1-CE1 3.21Å; D221-H252 IonicContact OD1-CG 2.8Å; D221-H252 IonicContact OD1-ND1 2.78Å; D221-H252 PolarHBondContact OD1-ND1 3.12Å
222	I	95.8	Very high	85.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.7	166.1	-50.9	167.5	0	0	0	108	L193 L197 V209 L211 L224 R250 L251 C253 Y258 L528	L193-I222 HydrophobicContact CD1-CD1 3.53Å; L193-I222 HydrophobicContact CD1-CG1 4.36Å; L197-I222 HydrophobicContact CD2-CG2 4.26Å; V209-I222 HydrophobicContact CG2-CG2 3.79Å; L211-I222 HydrophobicContact CD1-CB 4.41Å; L211-I222 HydrophobicContact CD1-CG1 3.69Å; I222-L224 HydrophobicContact CG2-CD2 4.03Å; I222-L224 HydrophobicContact CG2-CG 4.43Å; I222-R250 CarbonylContact O-C 3.16Å; I222-R250 WeakPolarHBondContact O-CA 3.17Å; I222-L251 HydrophobicContact CB-CB 4.32Å; I222-L251 PolarHBondContact N-O 3.33Å; I222-L251 PolarHBondContact O-N 2.91Å; I222-C253 VanDerWaalsContact CD1-SG 3.6Å; I222-Y258 HydrophobicContact CD1-CD2 4.39Å; I222-Y258 HydrophobicContact CD1-CE2 3.93Å; I222-L528 HydrophobicContact CD1-CD2 4.15Å; I222-L528 HydrophobicContact CG2-CD1 4.01Å; I222-L528 HydrophobicContact CG2-CD2 4.13Å
223	D	96.6	Very high	84.4	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.7	176	-80.3	13.6	0	0	0	109.6	V209 S210 R212 I248 R250	V209-D223 WeakPolarHBondContact CA-O 3.03Å; S210-D223 PolarHBondContact N-O 2.73Å; S210-D223 PolarHBondContact O-N 3.45Å; S210-D223 WeakPolarHBondContact OG-CB 3.32Å; R212-D223 IonicContact CZ-OD1 2.76Å; R212-D223 IonicContact CZ-OD2 2.69Å; R212-D223 IonicContact NH1-OD1 3.91Å; R212-D223 IonicContact NH1-OD2 3.85Å; R212-D223 PolarHBondContact NH1-OD2 3.39Å; R212-D223 IonicContact NH2-OD1 3.35Å; R212-D223 PolarHBondContact NH2-OD1 3.22Å; R212-D223 IonicContact NH2-OD2 2.99Å; R212-D223 PolarHBondContact NH2-OD2 3.18Å; D223-I248 HydrophobicContact CB-CG2 3.68Å; D223-R250 VanDerWaalsContact OD1-CB 3.31Å; D223-R250 WeakPolarHBondContact OD1-CB 3.39Å; D223-R250 WeakPolarHBondContact OD1-CD 3.33Å; D223-R250 WeakPolarHBondContact OD1-CG 3.24Å; D223-R250 IonicContact OD1-CZ 2.97Å; D223-R250 IonicContact OD1-NE 2.67Å; D223-R250 PolarHBondContact OD1-NE 3.08Å; D223-R250 IonicContact OD1-NH2 3.76Å; D223-R250 IonicContact OD2-CZ 3.62Å; D223-R250 IonicContact OD2-NE 3.35Å; D223-R250 IonicContact OD2-NH2 2.64Å; D223-R250 PolarHBondContact OD2-NH2 3.33Å
224	L	96.9	Very high	83.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.4	173.5	-55.8	173.9	0	0	0	109.4	V209 I222 I248 V249 L251 L528 T531 I532	V209-L224 HydrophobicContact CB-CD2 4.17Å; V209-L224 HydrophobicContact CG2-CD2 3.79Å; I222-L224 HydrophobicContact CG2-CD2 4.03Å; I222-L224 HydrophobicContact CG2-CG 4.43Å; L224-I248 CarbonylContact O-C 3.45Å; L224-I248 WeakPolarHBondContact O-CA 3.21Å; L224-V249 HydrophobicContact CB-CB 4.41Å; L224-V249 PolarHBondContact N-O 2.82Å; L224-V249 PolarHBondContact O-N 3Å; L224-L251 HydrophobicContact CD1-CD1 4.21Å; L224-L528 HydrophobicContact CD1-CD2 4.33Å; L224-L528 HydrophobicContact CD2-CB 4.12Å; L224-L528 HydrophobicContact CD2-CD1 4.39Å; L224-L528 HydrophobicContact CD2-CD2 4.27Å; L224-L528 HydrophobicContact CD2-CG 4.48Å; L224-T531 HydrophobicContact CD1-CG2 3.86Å; L224-I532 HydrophobicContact CB-CD1 4.48Å; L224-I532 HydrophobicContact CB-CG1 4.22Å; L224-I532 HydrophobicContact CD1-CG1 4.21Å; L224-I532 HydrophobicContact CD2-CD1 4.28Å; L224-I532 HydrophobicContact CD2-CG1 4.47Å
225	H	95.6	Very high	82.9	Confident	46 Å²	46	41 Å²	41	21%	0.213	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.3	-176.4	-58.7	162.6	0	0	0	110.4	H207 A208 S210 P246	H207-H225 PolarHBondContact O-ND1 2.82Å; A208-H225 PolarHBondContact O-N 2.72Å; S210-H225 PolarHBondContact OG-NE2 3.48Å; H225-P246 HydrophobicContact CB-CB 3.89Å; H225-P246 HydrophobicContact CB-CG 4.06Å
226	I	94.2	Very high	83.6	Confident	2 Å²	2	37 Å²	37	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	-179.9	-41.8	-60.5	0	0	0	109.3	P246 I247 V249 I532 A535 E536 I539	I226-P246 CarbonylContact O-C 3.23Å; I226-P246 WeakPolarHBondContact O-CA 3.3Å; I226-P246 WeakPolarHBondContact O-CB 3.29Å; I226-I247 HydrophobicContact CB-CB 4.5Å; I226-I247 WeakPolarHBondContact CB-O 3.47Å; I226-I247 WeakPolarHBondContact CG1-O 3.47Å; I226-I247 PolarHBondContact N-O 3.48Å; I226-I247 PolarHBondContact O-N 2.72Å; I226-V249 HydrophobicContact CD1-CG2 4.45Å; I226-V249 HydrophobicContact CG1-CG2 3.95Å; I226-I532 HydrophobicContact CD1-CB 4.06Å; I226-I532 HydrophobicContact CD1-CG1 3.86Å; I226-I532 HydrophobicContact CD1-CG2 3.78Å; I226-A535 HydrophobicContact CD1-CB 3.92Å; I226-A535 HydrophobicContact CG1-CB 4.04Å; I226-A535 HydrophobicContact CG2-CB 4.31Å; I226-E536 HydrophobicContact CG2-CG 4.05Å; I226-I539 HydrophobicContact CG2-CD1 3.85Å
227	D	90.6	Very high	83.8	Confident	83 Å²	83	36.4 Å²	36.4	44%	0.444	19%	0.192	S	C	.	.			trans	-66.2	142.6	171	-179.5	37.4	0	0	0	110.9	S229 F230	D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.26Å; D227-S229 PolarHBondContact OD1-N 3.07Å; D227-S229 PolarHBondContact OD1-OG 3.26Å; D227-S229 WeakPolarHBondContact OD2-CB 3.41Å; D227-S229 PolarHBondContact OD2-OG 3.07Å; D227-F230 VanDerWaalsContact O-CE1 3.24Å; D227-F230 WeakPolarHBondContact O-CE1 3.49Å
228	V	88.3	Confident	83.3	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-132.7	13.2	175.5	-68.9	0	0	0	0	113	F230 L231 V241 E245 I247 I539	V228-F230 PolarHBondContact O-N 3.36Å; V228-F230 VanDerWaalsContact O-N 3.09Å; V228-L231 HydrophobicContact CB-CD1 4.01Å; V228-L231 HydrophobicContact CB-CG 4.34Å; V228-L231 HydrophobicContact CG1-CD1 4.35Å; V228-L231 WeakPolarHBondContact O-CB 3.2Å; V228-L231 PolarHBondContact O-N 2.77Å; V228-V241 HydrophobicContact CG2-CG1 3.96Å; V228-E245 WeakPolarHBondContact CG2-O 3.31Å; V228-I247 HydrophobicContact CG1-CB 4.43Å; V228-I247 HydrophobicContact CG1-CD1 3.59Å; V228-I247 HydrophobicContact CG1-CG1 3.77Å; V228-I247 HydrophobicContact CG2-CG1 4.27Å; V228-I539 HydrophobicContact CG1-CD1 4.4Å; V228-I539 HydrophobicContact CG1-CG2 4.39Å
229	S	85.4	Confident	82.9	Confident	57 Å²	57	30.5 Å²	30.5	40%	0.399	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.5	174.1	74.8	0	0	0	0	112.8	D227 L231 R243	D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.26Å; D227-S229 PolarHBondContact OD1-N 3.07Å; D227-S229 PolarHBondContact OD1-OG 3.26Å; D227-S229 WeakPolarHBondContact OD2-CB 3.41Å; D227-S229 PolarHBondContact OD2-OG 3.07Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 2.63Å; S229-R243 PolarHBondContact O-NH2 3.25Å
230	F	83.1	Confident	82.4	Confident	92 Å²	92	29.2 Å²	29.2	40%	0.404	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.6	177.9	72.3	-102.9	0	0	0	114.7	D227 V228 I539 P540	D227-F230 VanDerWaalsContact O-CE1 3.24Å; D227-F230 WeakPolarHBondContact O-CE1 3.49Å; V228-F230 PolarHBondContact O-N 3.36Å; V228-F230 VanDerWaalsContact O-N 3.09Å; F230-I539 HydrophobicContact CE2-CG2 4.29Å; F230-I539 HydrophobicContact CZ-CB 4.23Å; F230-I539 HydrophobicContact CZ-CG2 3.74Å; F230-P540 HydrophobicContact CE2-CB 4.24Å; F230-P540 HydrophobicContact CE2-CG 3.68Å; F230-P540 HydrophobicContact CZ-CG 4Å
231	L	77.9	Confident	81.9	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-64.4	141.1	177	-70.1	178.5	0	0	0	109.4	V228 S229 A236 W239 V241 R243 I539	V228-L231 HydrophobicContact CB-CD1 4.01Å; V228-L231 HydrophobicContact CB-CG 4.34Å; V228-L231 HydrophobicContact CG1-CD1 4.35Å; V228-L231 WeakPolarHBondContact O-CB 3.2Å; V228-L231 PolarHBondContact O-N 2.77Å; S229-L231 VanDerWaalsContact C-N 3.29Å; S229-L231 PolarHBondContact O-N 2.63Å; L231-A236 HydrophobicContact CB-CB 4.44Å; L231-W239 HydrophobicContact CD1-CE3 3.94Å; L231-W239 HydrophobicContact CD1-CZ3 4Å; L231-W239 HydrophobicContact CD2-CE3 4.26Å; L231-W239 HydrophobicContact CD2-CH2 4.23Å; L231-W239 HydrophobicContact CD2-CZ3 3.58Å; L231-W239 HydrophobicContact CG-CZ3 4.48Å; L231-V241 HydrophobicContact CD1-CG1 4.14Å; L231-R243 PolarHBondContact O-NE 2.76Å; L231-R243 PolarHBondContact O-NH2 3.37Å; L231-R243 VanDerWaalsContact O-NH2 3.15Å; L231-I539 HydrophobicContact CD1-CG2 4.35Å; L231-I539 HydrophobicContact CD2-CG2 4.19Å
232	D	71.8	Confident	81.4	Confident	43 Å²	43	31.7 Å²	31.7	23%	0.23	17%	0.166	C	C	.	.			trans	-66.2	144.5	169.4	-68.1	-43.5	0	0	0	110.2	E234 I235 A236 R721	D232-E234 PolarHBondContact O-N 2.92Å; D232-I235 HydrophobicContact CB-CB 4.35Å; D232-I235 HydrophobicContact CB-CD1 3.76Å; D232-I235 HydrophobicContact CB-CG1 3.93Å; D232-I235 WeakPolarHBondContact O-CA 3.47Å; D232-I235 WeakPolarHBondContact O-CB 3.34Å; D232-I235 PolarHBondContact O-N 3.43Å; D232-A236 PolarHBondContact O-N 3.03Å; D232-R721 VanDerWaalsContact CG-CZ 3.45Å; D232-R721 IonicContact OD1-CZ 3.22Å; D232-R721 VanDerWaalsContact OD1-CZ 3.31Å; D232-R721 IonicContact OD1-NH1 3.96Å; D232-R721 PolarHBondContact OD1-NH1 2.92Å; D232-R721 IonicContact OD1-NH2 2.7Å; D232-R721 PolarHBondContact OD1-NH2 2.83Å; D232-R721 IonicContact OD2-CZ 3.87Å; D232-R721 IonicContact OD2-NH1 3.54Å; D232-R721 PolarHBondContact OD2-NH1 3.35Å; D232-R721 IonicContact OD2-NH2 2.72Å; D232-R721 PolarHBondContact OD2-NH2 3.27Å
233	E	69.8	Low	81	Confident	47 Å²	47	36.1 Å²	36.1	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-52.6	-43	175.1	-168.6	-178	121.1	0	0	112.8	I235 A236 V237 T888	E233-I235 PolarHBondContact O-N 2.84Å; E233-A236 PolarHBondContact O-N 3.44Å; E233-V237 WeakPolarHBondContact O-CB 3.5Å; E233-V237 VanDerWaalsContact O-CG2 3.28Å; E233-V237 WeakPolarHBondContact O-CG2 3.17Å; E233-V237 PolarHBondContact O-N 3.02Å; E233-T888 WeakPolarHBondContact OE1-CA 3.45Å; E233-T888 PolarHBondContact OE1-N 3.25Å; E233-T888 WeakPolarHBondContact OE2-CA 3.07Å
234	E	64.3	Low	80.5	Confident	50 Å²	50	42.2 Å²	42.2	23%	0.234	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-28.1	178.7	-62.3	158.1	121.7	0	0	112.5	D232 A238 L710 R721 R854	D232-E234 PolarHBondContact O-N 2.92Å; E234-A238 WeakPolarHBondContact O-CB 3.27Å; E234-L710 HydrophobicContact CB-CD1 4.12Å; E234-L710 HydrophobicContact CG-CD1 4.45Å; E234-R721 IonicContact OE2-CZ 2.82Å; E234-R721 IonicContact OE2-NH2 3.45Å; E234-R721 PolarHBondContact OE2-NH2 2.83Å; E234-R854 IonicContact OE1-NH1 3.75Å; E234-R854 PolarHBondContact OE1-NH1 3.2Å
235	I	70.4	Confident	80.2	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-85.4	-50.1	176.8	-59.8	170.3	0	0	0	109.7	D232 E233 V237 A238 W239 L561 P714	D232-I235 HydrophobicContact CB-CB 4.35Å; D232-I235 HydrophobicContact CB-CD1 3.76Å; D232-I235 HydrophobicContact CB-CG1 3.93Å; D232-I235 WeakPolarHBondContact O-CA 3.47Å; D232-I235 WeakPolarHBondContact O-CB 3.34Å; D232-I235 PolarHBondContact O-N 3.43Å; E233-I235 PolarHBondContact O-N 2.84Å; I235-V237 VanDerWaalsContact C-N 3.35Å; I235-V237 PolarHBondContact O-N 3.03Å; I235-A238 CarbonylContact O-C 3.56Å; I235-A238 WeakPolarHBondContact O-CA 3.32Å; I235-A238 WeakPolarHBondContact O-CB 3.47Å; I235-A238 PolarHBondContact O-N 2.74Å; I235-W239 HydrophobicContact CG2-CD2 3.48Å; I235-W239 VanDerWaalsContact CG2-CD2 3.48Å; I235-W239 HydrophobicContact CG2-CE3 3.72Å; I235-W239 HydrophobicContact CG2-CG 4.17Å; I235-W239 HydrophobicContact CG2-CH2 3.72Å; I235-W239 HydrophobicContact CG2-CZ2 3.42Å; I235-W239 VanDerWaalsContact CG2-CZ2 3.42Å; I235-W239 HydrophobicContact CG2-CZ3 3.85Å; I235-W239 WeakPolarHBondContact O-CB 3.48Å; I235-W239 PolarHBondContact O-N 3.46Å; I235-L561 HydrophobicContact CG1-CD1 4.06Å; I235-P714 HydrophobicContact CD1-CB 3.68Å; I235-P714 HydrophobicContact CD1-CG 4.08Å; I235-P714 HydrophobicContact CG1-CB 4.24Å; I235-P714 HydrophobicContact CG1-CG 4.13Å
236	A	75.5	Confident	80	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-44	-178.8	0	0	0	0	0	111.9	L231 D232 E233 A238 W239 E240 V241 R243	L231-A236 HydrophobicContact CB-CB 4.44Å; D232-A236 PolarHBondContact O-N 3.03Å; E233-A236 PolarHBondContact O-N 3.44Å; A236-A238 VanDerWaalsContact C-N 3.3Å; A236-A238 PolarHBondContact O-N 3.4Å; A236-W239 CarbonylContact O-C 3.53Å; A236-W239 PolarHBondContact O-N 3.16Å; A236-W239 VanDerWaalsContact O-N 3.14Å; A236-E240 PolarHBondContact O-N 2.94Å; A236-V241 HydrophobicContact CB-CB 4.26Å; A236-V241 PolarHBondContact O-N 3.46Å; A236-R243 HydrophobicContact CB-CG 3.42Å; A236-R243 VanDerWaalsContact CB-CG 3.42Å
237	V	71.9	Confident	80	Confident	88 Å²	88	44.3 Å²	44.3	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-31.7	173.5	174.2	0	0	0	0	112.1	E233 I235	E233-V237 WeakPolarHBondContact O-CB 3.5Å; E233-V237 VanDerWaalsContact O-CG2 3.28Å; E233-V237 WeakPolarHBondContact O-CG2 3.17Å; E233-V237 PolarHBondContact O-N 3.02Å; I235-V237 VanDerWaalsContact C-N 3.35Å; I235-V237 PolarHBondContact O-N 3.03Å
238	A	67.2	Low	80.1	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-22.5	174.7	0	0	0	0	0	113.2	E234 I235 A236 L561 R562	E234-A238 WeakPolarHBondContact O-CB 3.27Å; I235-A238 CarbonylContact O-C 3.56Å; I235-A238 WeakPolarHBondContact O-CA 3.32Å; I235-A238 WeakPolarHBondContact O-CB 3.47Å; I235-A238 PolarHBondContact O-N 2.74Å; A236-A238 VanDerWaalsContact C-N 3.3Å; A236-A238 PolarHBondContact O-N 3.4Å; A238-L561 HydrophobicContact CB-CD1 4.17Å; A238-L561 HydrophobicContact CB-CD2 4.17Å; A238-L561 HydrophobicContact CB-CG 3.83Å; A238-R562 PolarHBondContact O-NE 2.97Å; A238-R562 PolarHBondContact O-NH2 2.79Å
239	W	74.6	Confident	80.5	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.027	21%	0.214	C	C	.	.	H	α-helix	trans	-98.6	-4.4	179	-65.9	-0.9	0	0	0	113.8	L231 I235 A236 V241 L279 I539 N543 L561	L231-W239 HydrophobicContact CD1-CE3 3.94Å; L231-W239 HydrophobicContact CD1-CZ3 4Å; L231-W239 HydrophobicContact CD2-CE3 4.26Å; L231-W239 HydrophobicContact CD2-CH2 4.23Å; L231-W239 HydrophobicContact CD2-CZ3 3.58Å; L231-W239 HydrophobicContact CG-CZ3 4.48Å; I235-W239 HydrophobicContact CG2-CD2 3.48Å; I235-W239 VanDerWaalsContact CG2-CD2 3.48Å; I235-W239 HydrophobicContact CG2-CE3 3.72Å; I235-W239 HydrophobicContact CG2-CG 4.17Å; I235-W239 HydrophobicContact CG2-CH2 3.72Å; I235-W239 HydrophobicContact CG2-CZ2 3.42Å; I235-W239 VanDerWaalsContact CG2-CZ2 3.42Å; I235-W239 HydrophobicContact CG2-CZ3 3.85Å; I235-W239 WeakPolarHBondContact O-CB 3.48Å; I235-W239 PolarHBondContact O-N 3.46Å; A236-W239 CarbonylContact O-C 3.53Å; A236-W239 PolarHBondContact O-N 3.16Å; A236-W239 VanDerWaalsContact O-N 3.14Å; W239-V241 VanDerWaalsContact C-N 3.29Å; W239-V241 HydrophobicContact CB-CG2 3.92Å; W239-V241 PolarHBondContact O-N 3.14Å; W239-L279 HydrophobicContact CB-CD1 4.03Å; W239-L279 HydrophobicContact CB-CG 4.45Å; W239-L279 HydrophobicContact CD2-CD1 3.27Å; W239-L279 HydrophobicContact CD2-CG 4.35Å; W239-L279 HydrophobicContact CE3-CD1 3.2Å; W239-L279 HydrophobicContact CG-CD1 3.67Å; W239-L279 HydrophobicContact CG-CG 4.31Å; W239-L279 HydrophobicContact CH2-CD1 4.3Å; W239-L279 HydrophobicContact CZ2-CD1 4.39Å; W239-L279 HydrophobicContact CZ3-CD1 3.73Å; W239-I539 WeakPolarHBondContact CH2-O 3.43Å; W239-I539 HydrophobicContact CZ3-CG2 4.43Å; W239-I539 WeakPolarHBondContact CZ3-O 3.44Å; W239-N543 HydrophobicContact CZ2-CB 3.95Å; W239-L561 VanDerWaalsContact CD1-O 3.31Å; W239-L561 PolarHBondContact NE1-O 3.1Å
240	E	74.2	Confident	81	Confident	62 Å²	62	40.2 Å²	40.2	29%	0.29	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	40.3	-174.9	-51.4	-162.4	-161.4	0	0	112.5	A236 R562	A236-E240 PolarHBondContact O-N 2.94Å; E240-R562 IonicContact OE1-NH2 2.76Å; E240-R562 PolarHBondContact OE1-NH2 2.99Å
241	V	80.8	Confident	81.6	Confident	10 Å²	10	35.9 Å²	35.9	6%	0.061	19%	0.185	C	C	.	.			trans	-102.1	131.4	176.6	173.6	0	0	0	0	110.7	V228 L231 A236 W239 F277	V228-V241 HydrophobicContact CG2-CG1 3.96Å; L231-V241 HydrophobicContact CD1-CG1 4.14Å; A236-V241 HydrophobicContact CB-CB 4.26Å; A236-V241 PolarHBondContact O-N 3.46Å; W239-V241 VanDerWaalsContact C-N 3.29Å; W239-V241 HydrophobicContact CB-CG2 3.92Å; W239-V241 PolarHBondContact O-N 3.14Å; V241-F277 HydrophobicContact CG2-CD2 3.91Å; V241-F277 HydrophobicContact CG2-CE2 3.5Å; V241-F277 VanDerWaalsContact CG2-CE2 3.5Å
242	I	84.4	Confident	82.4	Confident	49 Å²	49	38.3 Å²	38.3	25%	0.251	20%	0.196	S	C	.	.			trans	-85.3	118.7	171.3	-66.9	170.6	0	0	0	108.5	T244 E245 Q270 T273	I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 VanDerWaalsContact CG2-OG1 3.26Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.46Å; I242-T244 PolarHBondContact O-N 2.98Å; I242-E245 HydrophobicContact CB-CB 4.37Å; I242-E245 HydrophobicContact CG2-CB 4.02Å; I242-E245 HydrophobicContact CG2-CG 3.93Å; I242-E245 PolarHBondContact O-N 3.39Å; I242-E245 VanDerWaalsContact O-O 3.14Å; I242-Q270 PolarHBondContact O-NE2 3.37Å; I242-T273 HydrophobicContact CD1-CG2 3.7Å; I242-T273 HydrophobicContact CG1-CG2 4.23Å
243	R	87.1	Confident	83.3	Confident	92 Å²	92	36.6 Å²	36.6	35%	0.347	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14	-176.4	-66.8	177.4	62.7	-144.9	2.3	114.7	S229 L231 A236	S229-R243 PolarHBondContact O-NH2 3.25Å; L231-R243 PolarHBondContact O-NE 2.76Å; L231-R243 PolarHBondContact O-NH2 3.37Å; L231-R243 VanDerWaalsContact O-NH2 3.15Å; A236-R243 HydrophobicContact CB-CG 3.42Å; A236-R243 VanDerWaalsContact CB-CG 3.42Å
244	T	87	Confident	84.3	Confident	133 Å²	133	34.7 Å²	34.7	82%	0.816	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.8	179	53.7	0	0	0	0	113.3	I242	I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 VanDerWaalsContact CG2-OG1 3.26Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.46Å; I242-T244 PolarHBondContact O-N 2.98Å
245	E	89.9	Confident	85.4	Confident	41 Å²	41	32.6 Å²	32.6	19%	0.192	17%	0.169	C	C	.	.	S	Bend	trans	-117	140.8	175.6	-74.1	179.3	-146.4	0	0	109.2	V228 I242 Q270 I271 S272	V228-E245 WeakPolarHBondContact CG2-O 3.31Å; I242-E245 HydrophobicContact CB-CB 4.37Å; I242-E245 HydrophobicContact CG2-CB 4.02Å; I242-E245 HydrophobicContact CG2-CG 3.93Å; I242-E245 PolarHBondContact O-N 3.39Å; I242-E245 VanDerWaalsContact O-O 3.14Å; E245-Q270 PolarHBondContact O-NE2 2.82Å; E245-I271 PolarHBondContact OE2-N 3.38Å; E245-S272 WeakPolarHBondContact OE1-CB 3.33Å; E245-S272 PolarHBondContact OE1-OG 3.37Å; E245-S272 PolarHBondContact OE2-N 3.3Å; E245-S272 PolarHBondContact OE2-OG 2.89Å
246	P	91.6	Very high	86.2	Confident	47 Å²	47	34.3 Å²	34.3	31%	0.305	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-66.7	156.8	171.7	29.9	-34.7	0	0	0	110.9	H225 I226	H225-P246 HydrophobicContact CB-CB 3.89Å; H225-P246 HydrophobicContact CB-CG 4.06Å; I226-P246 CarbonylContact O-C 3.23Å; I226-P246 WeakPolarHBondContact O-CA 3.3Å; I226-P246 WeakPolarHBondContact O-CB 3.29Å
247	I	93.3	Very high	86.7	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.8	160.5	-65.1	179.2	0	0	0	107.4	I226 V228 V268 Q270 F277 L283 I539	I226-I247 HydrophobicContact CB-CB 4.5Å; I226-I247 WeakPolarHBondContact CB-O 3.47Å; I226-I247 WeakPolarHBondContact CG1-O 3.47Å; I226-I247 PolarHBondContact N-O 3.48Å; I226-I247 PolarHBondContact O-N 2.72Å; V228-I247 HydrophobicContact CG1-CB 4.43Å; V228-I247 HydrophobicContact CG1-CD1 3.59Å; V228-I247 HydrophobicContact CG1-CG1 3.77Å; V228-I247 HydrophobicContact CG2-CG1 4.27Å; I247-V268 HydrophobicContact CG2-CG1 3.4Å; I247-V268 VanDerWaalsContact CG2-CG1 3.4Å; I247-Q270 HydrophobicContact CG1-CG 4.01Å; I247-F277 HydrophobicContact CD1-CE1 4.38Å; I247-F277 HydrophobicContact CD1-CE2 4.21Å; I247-F277 HydrophobicContact CD1-CZ 3.67Å; I247-F277 HydrophobicContact CG1-CZ 4.33Å; I247-F277 HydrophobicContact CG2-CE1 4.08Å; I247-F277 HydrophobicContact CG2-CZ 4.35Å; I247-L283 HydrophobicContact CD1-CD2 4.31Å; I247-L283 HydrophobicContact CG2-CD2 4.03Å; I247-I539 HydrophobicContact CD1-CD1 4.34Å
248	I	94.3	Very high	87.6	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.2	178.1	-55.9	-172.1	0	0	0	108.9	D223 L224 V268 F269 I271	D223-I248 HydrophobicContact CB-CG2 3.68Å; L224-I248 CarbonylContact O-C 3.45Å; L224-I248 WeakPolarHBondContact O-CA 3.21Å; I248-V268 VanDerWaalsContact O-CA 3.27Å; I248-V268 WeakPolarHBondContact O-CA 3.32Å; I248-V268 WeakPolarHBondContact O-CG1 3.42Å; I248-F269 HydrophobicContact CB-CD2 4.49Å; I248-F269 HydrophobicContact CB-CE1 4.16Å; I248-F269 HydrophobicContact CB-CE2 4.04Å; I248-F269 HydrophobicContact CB-CZ 3.83Å; I248-F269 HydrophobicContact CD1-CE2 3.88Å; I248-F269 HydrophobicContact CD1-CZ 4.16Å; I248-F269 HydrophobicContact CG1-CE2 4.38Å; I248-F269 HydrophobicContact CG2-CE1 3.94Å; I248-F269 HydrophobicContact CG2-CE2 4.3Å; I248-F269 HydrophobicContact CG2-CZ 3.63Å; I248-F269 PolarHBondContact N-O 3.15Å; I248-F269 PolarHBondContact O-N 3.38Å; I248-F269 VanDerWaalsContact O-N 3.13Å; I248-I271 HydrophobicContact CD1-CD1 3.97Å; I248-I271 HydrophobicContact CD1-CG1 3.74Å
249	V	95.7	Very high	88.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.3	167.4	179.2	0	0	0	0	107.7	L224 I226 L251 V266 V268 M287	L224-V249 HydrophobicContact CB-CB 4.41Å; L224-V249 PolarHBondContact N-O 2.82Å; L224-V249 PolarHBondContact O-N 3Å; I226-V249 HydrophobicContact CD1-CG2 4.45Å; I226-V249 HydrophobicContact CG1-CG2 3.95Å; V249-L251 HydrophobicContact CG1-CD2 4.38Å; V249-V266 HydrophobicContact CG1-CG1 3.92Å; V249-V268 HydrophobicContact CG1-CG2 4.38Å; V249-V268 HydrophobicContact CG2-CG1 4.06Å; V249-V268 HydrophobicContact CG2-CG2 4.2Å; V249-M287 HydrophobicContact CG1-CB 4.48Å; V249-M287 HydrophobicContact CG1-CE 4.3Å; V249-M287 HydrophobicContact CG1-CG 4.4Å; V249-M287 HydrophobicContact CG2-CG 4.45Å
250	R	95.7	Very high	89.1	Confident	50 Å²	50	38.5 Å²	38.5	19%	0.189	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.9	-179.6	175	173.7	-60.9	-165.3	8.2	110.9	R212 D221 I222 D223 V266 D267 F269	R212-R250 VanDerWaalsContact CZ-NH2 3.34Å; R212-R250 VanDerWaalsContact NH2-NE 3.14Å; D221-R250 HydrophobicContact CB-CG 4.38Å; D221-R250 WeakPolarHBondContact OD2-CD 3.49Å; D221-R250 IonicContact OD2-CZ 3.51Å; D221-R250 VanDerWaalsContact OD2-CZ 3.28Å; D221-R250 IonicContact OD2-NE 3.03Å; D221-R250 PolarHBondContact OD2-NE 3.15Å; D221-R250 IonicContact OD2-NH1 3.33Å; D221-R250 PolarHBondContact OD2-NH1 2.83Å; I222-R250 CarbonylContact O-C 3.16Å; I222-R250 WeakPolarHBondContact O-CA 3.17Å; D223-R250 VanDerWaalsContact OD1-CB 3.31Å; D223-R250 WeakPolarHBondContact OD1-CB 3.39Å; D223-R250 WeakPolarHBondContact OD1-CD 3.33Å; D223-R250 WeakPolarHBondContact OD1-CG 3.24Å; D223-R250 IonicContact OD1-CZ 2.97Å; D223-R250 IonicContact OD1-NE 2.67Å; D223-R250 PolarHBondContact OD1-NE 3.08Å; D223-R250 IonicContact OD1-NH2 3.76Å; D223-R250 IonicContact OD2-CZ 3.62Å; D223-R250 IonicContact OD2-NE 3.35Å; D223-R250 IonicContact OD2-NH2 2.64Å; D223-R250 PolarHBondContact OD2-NH2 3.33Å; R250-V266 VanDerWaalsContact O-CA 3.32Å; R250-V266 WeakPolarHBondContact O-CA 3.38Å; R250-D267 HydrophobicContact CB-CB 4.17Å; R250-D267 PolarHBondContact N-O 3.42Å; R250-D267 PolarHBondContact O-N 3.18Å; R250-F269 HydrophobicContact CB-CE1 4.11Å
251	L	96	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.3	172.5	-50.9	178.9	0	0	0	109.4	I222 L224 V249 V266 V291 F527 L528	I222-L251 HydrophobicContact CB-CB 4.32Å; I222-L251 PolarHBondContact N-O 3.33Å; I222-L251 PolarHBondContact O-N 2.91Å; L224-L251 HydrophobicContact CD1-CD1 4.21Å; V249-L251 HydrophobicContact CG1-CD2 4.38Å; L251-V266 HydrophobicContact CD2-CG1 4.19Å; L251-V266 HydrophobicContact CD2-CG2 3.79Å; L251-V291 HydrophobicContact CD2-CG2 4.02Å; L251-F527 HydrophobicContact CD1-CE1 4.07Å; L251-L528 HydrophobicContact CD1-CD2 3.73Å
252	H	94	Very high	90	Very high	59 Å²	59	39.8 Å²	39.8	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.9	174.1	-58.1	-112.2	0	0	0	108.8	D221 P264 T265 D267	D221-H252 IonicContact OD1-CE1 3.21Å; D221-H252 IonicContact OD1-CG 2.8Å; D221-H252 IonicContact OD1-ND1 2.78Å; D221-H252 PolarHBondContact OD1-ND1 3.12Å; H252-P264 WeakPolarHBondContact O-CA 3.43Å; H252-P264 WeakPolarHBondContact O-CB 3.49Å; H252-T265 WeakPolarHBondContact CB-OG1 3.11Å; H252-T265 PolarHBondContact CD2-O 3.14Å; H252-T265 PolarHBondContact N-O 3.35Å; H252-D267 IonicContact CD2-OD2 2.86Å; H252-D267 IonicContact CE1-OD2 2.8Å; H252-D267 IonicContact NE2-OD2 3.27Å; H252-D267 PolarHBondContact NE2-OD2 2.99Å
253	C	92.5	Very high	90.3	Very high	6 Å²	6	40 Å²	40	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	173.7	-174.3	74.3	0	0	0	0	112.5	D219 V220 I222 P264 W295	D219-C253 CarbonylContact C-O 3.49Å; D219-C253 WeakPolarHBondContact CA-O 3.37Å; V220-C253 WeakPolarHBondContact CG1-O 3.18Å; V220-C253 PolarHBondContact N-O 3.13Å; V220-C253 PolarHBondContact O-N 2.81Å; I222-C253 VanDerWaalsContact CD1-SG 3.6Å; C253-P264 HydrophobicContact CB-CB 3.92Å; C253-W295 HydrophobicContact CB-CH2 3.86Å; C253-W295 HydrophobicContact CB-CZ2 4.18Å
254	S	89.8	Confident	90.5	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.049	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.5	172.4	149.6	0	0	0	0	111.2	D218 Q257 Y258	D218-S254 CarbonylContact O-C 3.52Å; D218-S254 WeakPolarHBondContact O-CA 3.18Å; D218-S254 PolarHBondContact OD1-OG 3.49Å; D218-S254 WeakPolarHBondContact OD2-CB 3.04Å; D218-S254 PolarHBondContact OD2-OG 3.49Å; S254-Q257 WeakPolarHBondContact OG-CA 3.41Å; S254-Q257 WeakPolarHBondContact OG-CB 3.37Å; S254-Q257 WeakPolarHBondContact OG-CG 3.29Å; S254-Q257 PolarHBondContact OG-N 2.74Å; S254-Y258 PolarHBondContact O-N 2.88Å
255	L	87.5	Confident	90.8	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	19%	0.187	C	C	.	.	S	Bend	trans	-66.7	-45.1	-177.9	-171.1	67.6	0	0	0	111.7	L187 K189 H190 L193 E213 D218 V220	L187-L255 HydrophobicContact CB-CD2 4.03Å; L187-L255 WeakPolarHBondContact O-CD2 3.44Å; K189-L255 HydrophobicContact CG-CD1 4Å; K189-L255 HydrophobicContact CG-CG 4.42Å; H190-L255 WeakPolarHBondContact CB-O 3.46Å; H190-L255 PolarHBondContact N-O 2.91Å; H190-L255 VanDerWaalsContact N-O 3.15Å; L193-L255 HydrophobicContact CD2-CD1 4.05Å; E213-L255 HydrophobicContact CG-CD1 4.35Å; D218-L255 PolarHBondContact O-N 3.21Å; V220-L255 HydrophobicContact CB-CB 4.21Å; V220-L255 HydrophobicContact CB-CD1 3.89Å; V220-L255 HydrophobicContact CG1-CB 4.1Å; V220-L255 HydrophobicContact CG1-CD1 3.91Å; V220-L255 HydrophobicContact CG2-CD1 3.88Å
256	T	87	Confident	91	Very high	52 Å²	52	31.7 Å²	31.7	32%	0.319	18%	0.179	S	C	.	.	S	Bend	trans	-86.1	-24.6	179.5	64.9	0	0	0	0	113.2	L187 H190 D218	L187-T256 HydrophobicContact CD2-CG2 4.05Å; H190-T256 PolarHBondContact CD2-O 3.44Å; H190-T256 VanDerWaalsContact CD2-O 3.3Å; D218-T256 VanDerWaalsContact CG-OG1 3.25Å; D218-T256 VanDerWaalsContact OD1-CB 3.29Å; D218-T256 WeakPolarHBondContact OD1-CB 3.41Å; D218-T256 VanDerWaalsContact OD1-CG2 3.29Å; D218-T256 WeakPolarHBondContact OD1-CG2 3.18Å; D218-T256 PolarHBondContact OD1-N 3.43Å; D218-T256 PolarHBondContact OD1-OG1 3.38Å; D218-T256 PolarHBondContact OD2-OG1 2.84Å
257	Q	86.9	Confident	91.1	Very high	92 Å²	92	32 Å²	32	43%	0.43	18%	0.178	S	C	.	.	S	Bend	trans	-108.4	24.4	-175.4	-49	174.7	48.9	0	0	113.6	D218 S254 L259 N260 G261	D218-Q257 PolarHBondContact OD2-NE2 2.84Å; S254-Q257 WeakPolarHBondContact OG-CA 3.41Å; S254-Q257 WeakPolarHBondContact OG-CB 3.37Å; S254-Q257 WeakPolarHBondContact OG-CG 3.29Å; S254-Q257 PolarHBondContact OG-N 2.74Å; Q257-L259 PolarHBondContact O-N 3.09Å; Q257-N260 PolarHBondContact O-N 2.88Å; Q257-G261 PolarHBondContact O-N 3.36Å
258	Y	90	Very high	91	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	129.5	176.7	-174.1	-110.4	0	0	0	112	Q192 L193 D196 I222 S254 N260 W295 F527 L528	Q192-Y258 HydrophobicContact CB-CD1 4.27Å; Q192-Y258 HydrophobicContact CG-CD1 4.41Å; Q192-Y258 HydrophobicContact CG-CE1 4.3Å; L193-Y258 HydrophobicContact CB-CD1 3.78Å; L193-Y258 HydrophobicContact CB-CD2 4.3Å; L193-Y258 HydrophobicContact CB-CE1 4.3Å; L193-Y258 HydrophobicContact CB-CG 3.78Å; L193-Y258 HydrophobicContact CD1-CD1 4.48Å; L193-Y258 HydrophobicContact CD1-CD2 3.87Å; L193-Y258 HydrophobicContact CD1-CE1 4.4Å; L193-Y258 HydrophobicContact CD1-CE2 3.8Å; L193-Y258 HydrophobicContact CD1-CG 4.23Å; L193-Y258 HydrophobicContact CG-CD2 4.47Å; L193-Y258 HydrophobicContact CG-CG 4.43Å; D196-Y258 HydrophobicContact CB-CE1 4.46Å; D196-Y258 PolarHBondContact OD2-OH 3.01Å; I222-Y258 HydrophobicContact CD1-CD2 4.39Å; I222-Y258 HydrophobicContact CD1-CE2 3.93Å; S254-Y258 PolarHBondContact O-N 2.88Å; Y258-N260 PolarHBondContact O-N 3.44Å; Y258-N260 PolarHBondContact O-ND2 3.35Å; Y258-W295 AromaticContact CD2-CH2 3.63Å; Y258-W295 HydrophobicContact CD2-CH2 3.63Å; Y258-W295 HydrophobicContact CD2-CZ2 4.45Å; Y258-W295 HydrophobicContact CD2-CZ3 4.29Å; Y258-W295 AromaticContact CE2-CH2 3.64Å; Y258-W295 HydrophobicContact CE2-CH2 3.64Å; Y258-W295 AromaticContact CE2-CZ3 3.83Å; Y258-W295 HydrophobicContact CE2-CZ3 3.83Å; Y258-F527 WeakPolarHBondContact OH-CD1 3.49Å; Y258-L528 WeakPolarHBondContact OH-CD2 3.4Å; Y258-L528 WeakPolarHBondContact OH-CG 3.34Å
259	L	87.4	Confident	90.8	Very high	18 Å²	18	33.5 Å²	33.5	9%	0.094	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-13	-173.1	-60.2	162	0	0	0	117.3	Q192 Q257 W295 F527	Q192-L259 HydrophobicContact CG-CD1 3.7Å; Q257-L259 PolarHBondContact O-N 3.09Å; L259-W295 HydrophobicContact CD2-CD2 3.98Å; L259-W295 HydrophobicContact CD2-CE3 3.69Å; L259-W295 HydrophobicContact CD2-CZ3 3.98Å; L259-W295 VanDerWaalsContact N-CZ2 3.3Å; L259-F527 HydrophobicContact CD2-CB 4.13Å; L259-F527 HydrophobicContact CD2-CD1 4.37Å; L259-F527 HydrophobicContact CD2-CD2 4.29Å; L259-F527 HydrophobicContact CD2-CG 4Å
260	N	86.6	Confident	90.4	Very high	77 Å²	77	33.5 Å²	33.5	41%	0.412	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-33.5	-179.7	-73.7	-69.2	0	0	0	113.1	H190 Q257 Y258 K299	H190-N260 PolarHBondContact NE2-ND2 3.46Å; Q257-N260 PolarHBondContact O-N 2.88Å; Y258-N260 PolarHBondContact O-N 3.44Å; Y258-N260 PolarHBondContact O-ND2 3.35Å; N260-K299 WeakPolarHBondContact OD1-CE 3.26Å; N260-K299 PolarHBondContact OD1-NZ 3.28Å
261	G	84.8	Confident	89.9	Confident	10 Å²	10	36.9 Å²	36.9	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-80.5	-148.6	-173.8	0	0	0	0	0	115.6	Q257 K296	Q257-G261 PolarHBondContact O-N 3.36Å; G261-K296 WeakPolarHBondContact O-CE 3.31Å; G261-K296 PolarHBondContact O-NZ 3.5Å
262	P	89.4	Confident	89.1	Confident	89 Å²	89	40.8 Å²	40.8	58%	0.578	23%	0.233	S	C	*	.	S	Bend	trans	-63.5	164.2	173.8	29	-34.5	0	0	0	111.5	W295	P262-W295 PolarHBondContact O-NE1 3.17Å
263	V	90.1	Very high	88.1	Confident	53 Å²	53	39.2 Å²	39.2	32%	0.321	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-75.1	131.9	169.2	172.9	0	0	0	0	107.8	T292 W295	V263-T292 HydrophobicContact CG1-CG2 4.22Å; V263-W295 HydrophobicContact CG2-CB 4.42Å; V263-W295 HydrophobicContact CG2-CG 4.44Å
264	P	91.7	Very high	86.9	Confident	4 Å²	4	46 Å²	46	3%	0.026	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.7	148.5	-178.9	27.2	-35.5	0	0	0	112.5	H252 C253 Q288 V291 W295	H252-P264 WeakPolarHBondContact O-CA 3.43Å; H252-P264 WeakPolarHBondContact O-CB 3.49Å; C253-P264 HydrophobicContact CB-CB 3.92Å; P264-Q288 PolarHBondContact O-NE2 3.48Å; P264-V291 HydrophobicContact CG-CG1 3.57Å; P264-W295 VanDerWaalsContact CD-CD2 3.48Å; P264-W295 VanDerWaalsContact CD-CE2 3.46Å; P264-W295 HydrophobicContact CG-CD2 4.16Å; P264-W295 HydrophobicContact CG-CE3 3.89Å; P264-W295 HydrophobicContact CG-CH2 3.98Å; P264-W295 HydrophobicContact CG-CZ2 4.23Å; P264-W295 HydrophobicContact CG-CZ3 3.81Å
265	T	92.8	Very high	85.3	Confident	87 Å²	87	53.6 Å²	53.6	53%	0.534	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.3	161.6	41.2	0	0	0	0	109.6	H252	H252-T265 WeakPolarHBondContact CB-OG1 3.11Å; H252-T265 PolarHBondContact CD2-O 3.14Å; H252-T265 PolarHBondContact N-O 3.35Å
266	V	94.8	Very high	83.9	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129	-178.1	-174	0	0	0	0	109.9	V249 R250 L251 V268 K284 M287 Q288 V291	V249-V266 HydrophobicContact CG1-CG1 3.92Å; R250-V266 VanDerWaalsContact O-CA 3.32Å; R250-V266 WeakPolarHBondContact O-CA 3.38Å; L251-V266 HydrophobicContact CD2-CG1 4.19Å; L251-V266 HydrophobicContact CD2-CG2 3.79Å; V266-V268 HydrophobicContact CG1-CG2 4.15Å; V266-K284 WeakPolarHBondContact O-CE 3.48Å; V266-K284 WeakPolarHBondContact O-CG 3.29Å; V266-M287 HydrophobicContact CG1-CB 3.91Å; V266-Q288 HydrophobicContact CB-CB 4.22Å; V266-Q288 HydrophobicContact CG2-CB 4.28Å; V266-V291 HydrophobicContact CG2-CB 4.02Å; V266-V291 HydrophobicContact CG2-CG1 3.96Å; V266-V291 HydrophobicContact CG2-CG2 3.96Å
267	D	91.9	Very high	82.9	Confident	54 Å²	54	59.1 Å²	59.1	29%	0.289	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.7	166.5	-77.6	-51.4	0	0	0	110.3	R250 H252 K284	R250-D267 HydrophobicContact CB-CB 4.17Å; R250-D267 PolarHBondContact N-O 3.42Å; R250-D267 PolarHBondContact O-N 3.18Å; H252-D267 IonicContact CD2-OD2 2.86Å; H252-D267 IonicContact CE1-OD2 2.8Å; H252-D267 IonicContact NE2-OD2 3.27Å; H252-D267 PolarHBondContact NE2-OD2 2.99Å; D267-K284 WeakPolarHBondContact OD1-CE 3.43Å; D267-K284 IonicContact OD1-NZ 3.76Å; D267-K284 PolarHBondContact OD1-NZ 3Å
268	V	91.7	Very high	81.7	Confident	13 Å²	13	55.3 Å²	55.3	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	124.4	176.9	-166.3	0	0	0	0	110.3	I247 I248 V249 V266 F277 L283 K284 M287	I247-V268 HydrophobicContact CG2-CG1 3.4Å; I247-V268 VanDerWaalsContact CG2-CG1 3.4Å; I248-V268 VanDerWaalsContact O-CA 3.27Å; I248-V268 WeakPolarHBondContact O-CA 3.32Å; I248-V268 WeakPolarHBondContact O-CG1 3.42Å; V249-V268 HydrophobicContact CG1-CG2 4.38Å; V249-V268 HydrophobicContact CG2-CG1 4.06Å; V249-V268 HydrophobicContact CG2-CG2 4.2Å; V266-V268 HydrophobicContact CG1-CG2 4.15Å; V268-F277 HydrophobicContact CG1-CE1 4Å; V268-L283 HydrophobicContact CG1-CD2 3.89Å; V268-L283 HydrophobicContact CG1-CG 4.09Å; V268-K284 HydrophobicContact CB-CB 4.17Å; V268-K284 HydrophobicContact CG2-CB 3.89Å; V268-M287 HydrophobicContact CG2-CG 4.41Å
269	F	90.5	Very high	80.8	Confident	25 Å²	25	55.5 Å²	55.5	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.2	-174	60.2	-81	0	0	0	111.1	I248 R250 K274	I248-F269 HydrophobicContact CB-CD2 4.49Å; I248-F269 HydrophobicContact CB-CE1 4.16Å; I248-F269 HydrophobicContact CB-CE2 4.04Å; I248-F269 HydrophobicContact CB-CZ 3.83Å; I248-F269 HydrophobicContact CD1-CE2 3.88Å; I248-F269 HydrophobicContact CD1-CZ 4.16Å; I248-F269 HydrophobicContact CG1-CE2 4.38Å; I248-F269 HydrophobicContact CG2-CE1 3.94Å; I248-F269 HydrophobicContact CG2-CE2 4.3Å; I248-F269 HydrophobicContact CG2-CZ 3.63Å; I248-F269 PolarHBondContact N-O 3.15Å; I248-F269 PolarHBondContact O-N 3.38Å; I248-F269 VanDerWaalsContact O-N 3.13Å; R250-F269 HydrophobicContact CB-CE1 4.11Å; F269-K274 HydrophobicContact CB-CG 4.13Å; F269-K274 HydrophobicContact CD2-CG 4.47Å; F269-K274 HydrophobicContact CG-CG 4.41Å
270	Q	88.3	Confident	80.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.			trans	-108.6	157.1	156.1	-55.6	-169.9	-81.7	0	0	108.4	I242 E245 I247 T273 K274	I242-Q270 PolarHBondContact O-NE2 3.37Å; E245-Q270 PolarHBondContact O-NE2 2.82Å; I247-Q270 HydrophobicContact CG1-CG 4.01Å; Q270-T273 PolarHBondContact O-N 3.24Å; Q270-K274 PolarHBondContact O-N 2.93Å; Q270-K274 VanDerWaalsContact O-N 3.09Å
271	I	84.3	Confident	79.8	Confident	121 Å²	121	54.1 Å²	54.1	62%	0.621	29%	0.285	S	S	*	.	S	Bend	trans	-66.2	-48.2	-171.6	-59.4	178.3	0	0	0	110.1	E245 I248 T273	E245-I271 PolarHBondContact OE2-N 3.38Å; I248-I271 HydrophobicContact CD1-CD1 3.97Å; I248-I271 HydrophobicContact CD1-CG1 3.74Å; I271-T273 PolarHBondContact O-N 3.37Å
272	S	80.1	Confident	79.7	Confident	83 Å²	83	53.9 Å²	53.9	58%	0.58	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.1	-177.7	-62.1	0	0	0	0	114.8	E245	E245-S272 WeakPolarHBondContact OE1-CB 3.33Å; E245-S272 PolarHBondContact OE1-OG 3.37Å; E245-S272 PolarHBondContact OE2-N 3.3Å; E245-S272 PolarHBondContact OE2-OG 2.89Å
273	T	71.5	Confident	79.6	Confident	26 Å²	26	49.7 Å²	49.7	16%	0.16	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	30	-177.3	54.6	0	0	0	0	113.9	I242 Q270 I271 E275 R276 F277	I242-T273 HydrophobicContact CD1-CG2 3.7Å; I242-T273 HydrophobicContact CG1-CG2 4.23Å; Q270-T273 PolarHBondContact O-N 3.24Å; I271-T273 PolarHBondContact O-N 3.37Å; T273-E275 PolarHBondContact O-N 2.63Å; T273-R276 CarbonylContact O-C 3.54Å; T273-R276 PolarHBondContact O-N 3.01Å; T273-F277 PolarHBondContact O-N 3.29Å
274	K	67.4	Low	79.6	Confident	147 Å²	147	50.7 Å²	50.7	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-34.1	178.3	-167	-175.4	179.4	-168.8	0	114.4	F269 Q270	F269-K274 HydrophobicContact CB-CG 4.13Å; F269-K274 HydrophobicContact CD2-CG 4.47Å; F269-K274 HydrophobicContact CG-CG 4.41Å; Q270-K274 PolarHBondContact O-N 2.93Å; Q270-K274 VanDerWaalsContact O-N 3.09Å
275	E	57.3	Low	79.4	Confident	167 Å²	167	53.9 Å²	53.9	78%	0.78	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	7	179.8	-58.4	-72.4	127.1	0	0	114.1	T273	T273-E275 PolarHBondContact O-N 2.63Å
276	R	58.3	Low	79.3	Confident	166 Å²	166	50.1 Å²	50.1	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-146.5	15.6	-175.3	-63.3	-167.7	-172.9	175	5.6	114.9	T273 G278	T273-R276 CarbonylContact O-C 3.54Å; T273-R276 PolarHBondContact O-N 3.01Å; R276-G278 VanDerWaalsContact C-N 3.29Å; R276-G278 PolarHBondContact O-N 3.25Å
277	F	65.6	Low	79.3	Confident	9 Å²	9	50 Å²	50	4%	0.039	24%	0.243	C	C	.	.			trans	-80.5	82.5	178.7	177	-146.9	0	0	0	109	V241 I247 V268 T273 L279 G280 L283	V241-F277 HydrophobicContact CG2-CD2 3.91Å; V241-F277 HydrophobicContact CG2-CE2 3.5Å; V241-F277 VanDerWaalsContact CG2-CE2 3.5Å; I247-F277 HydrophobicContact CD1-CE1 4.38Å; I247-F277 HydrophobicContact CD1-CE2 4.21Å; I247-F277 HydrophobicContact CD1-CZ 3.67Å; I247-F277 HydrophobicContact CG1-CZ 4.33Å; I247-F277 HydrophobicContact CG2-CE1 4.08Å; I247-F277 HydrophobicContact CG2-CZ 4.35Å; V268-F277 HydrophobicContact CG1-CE1 4Å; T273-F277 PolarHBondContact O-N 3.29Å; F277-L279 HydrophobicContact CD2-CB 4.22Å; F277-L279 HydrophobicContact CE2-CB 3.48Å; F277-L279 VanDerWaalsContact CE2-CB 3.48Å; F277-L279 HydrophobicContact CZ-CB 3.93Å; F277-L279 PolarHBondContact O-N 3.49Å; F277-G280 WeakPolarHBondContact O-CA 3.4Å; F277-G280 PolarHBondContact O-N 2.77Å; F277-L283 HydrophobicContact CZ-CD2 4.33Å
278	G	61.5	Low	79.4	Confident	12 Å²	12	49.9 Å²	49.9	12%	0.124	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14	-172.5	0	0	0	0	0	115.6	R276 A584 E587	R276-G278 VanDerWaalsContact C-N 3.29Å; R276-G278 PolarHBondContact O-N 3.25Å; G278-A584 WeakPolarHBondContact O-CB 3.49Å; G278-E587 VanDerWaalsContact CA-OE2 3.28Å; G278-E587 WeakPolarHBondContact CA-OE2 3.41Å; G278-E587 PolarHBondContact N-OE2 3.22Å
279	L	70.4	Confident	79.3	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-16.4	170	-110	-174.2	0	0	0	114.7	W239 F277 H281 Q282 L283 L542 P563	W239-L279 HydrophobicContact CB-CD1 4.03Å; W239-L279 HydrophobicContact CB-CG 4.45Å; W239-L279 HydrophobicContact CD2-CD1 3.27Å; W239-L279 HydrophobicContact CD2-CG 4.35Å; W239-L279 HydrophobicContact CE3-CD1 3.2Å; W239-L279 HydrophobicContact CG-CD1 3.67Å; W239-L279 HydrophobicContact CG-CG 4.31Å; W239-L279 HydrophobicContact CH2-CD1 4.3Å; W239-L279 HydrophobicContact CZ2-CD1 4.39Å; W239-L279 HydrophobicContact CZ3-CD1 3.73Å; F277-L279 HydrophobicContact CD2-CB 4.22Å; F277-L279 HydrophobicContact CE2-CB 3.48Å; F277-L279 VanDerWaalsContact CE2-CB 3.48Å; F277-L279 HydrophobicContact CZ-CB 3.93Å; F277-L279 PolarHBondContact O-N 3.49Å; L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 3.22Å; L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 HydrophobicContact CD2-CG 4.45Å; L279-Q282 PolarHBondContact O-N 3.44Å; L279-L283 PolarHBondContact O-N 3.25Å; L279-L542 HydrophobicContact CD1-CB 4.41Å; L279-L542 HydrophobicContact CD1-CD1 3.81Å; L279-L542 HydrophobicContact CD2-CB 4.03Å; L279-L542 HydrophobicContact CD2-CD1 3.88Å; L279-L542 HydrophobicContact CG-CD1 4.44Å; L279-P563 HydrophobicContact CD2-CB 4.21Å; L279-P563 HydrophobicContact CD2-CG 3.53Å; L279-P563 HydrophobicContact CG-CG 3.73Å
280	G	76.6	Confident	79.5	Confident	6 Å²	6	51.6 Å²	51.6	6%	0.062	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-38	-174.9	0	0	0	0	0	113.1	F277 Q282 L283 K284	F277-G280 WeakPolarHBondContact O-CA 3.4Å; F277-G280 PolarHBondContact O-N 2.77Å; G280-Q282 PolarHBondContact O-N 2.96Å; G280-L283 PolarHBondContact O-N 2.97Å; G280-K284 WeakPolarHBondContact O-CB 3.41Å; G280-K284 PolarHBondContact O-N 2.84Å
281	H	77.6	Confident	79.7	Confident	61 Å²	61	51.6 Å²	51.6	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-37.4	175.1	-89.9	108.3	0	0	0	114.2	L279 K285 M581 E583 A584	L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 3.22Å; H281-K285 WeakPolarHBondContact O-CB 3.45Å; H281-K285 PolarHBondContact O-N 2.89Å; H281-M581 HydrophobicContact CB-CE 3.84Å; H281-M581 HydrophobicContact CB-SD 4.2Å; H281-E583 IonicContact CE1-OE2 3.48Å; H281-E583 PolarHBondContact CE1-OE2 2.89Å; H281-E583 IonicContact ND1-OE2 3.58Å; H281-E583 IonicContact NE2-OE2 2.74Å; H281-A584 HydrophobicContact CB-CB 4.22Å
282	Q	82.7	Confident	80.1	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-71.3	-47.7	173.5	-178.7	179.2	1.8	0	0	110.6	L279 G280 K285 I286 L542 Y545 V547	L279-Q282 HydrophobicContact CD2-CB 3.96Å; L279-Q282 HydrophobicContact CD2-CG 4.45Å; L279-Q282 PolarHBondContact O-N 3.44Å; G280-Q282 PolarHBondContact O-N 2.96Å; Q282-K285 PolarHBondContact O-N 3.37Å; Q282-I286 HydrophobicContact CG-CD1 3.79Å; Q282-I286 WeakPolarHBondContact O-CG1 3.39Å; Q282-I286 PolarHBondContact O-N 3.02Å; Q282-L542 HydrophobicContact CG-CD2 4.45Å; Q282-L542 PolarHBondContact NE2-O 2.92Å; Q282-Y545 PolarHBondContact NE2-O 3.46Å; Q282-V547 HydrophobicContact CB-CG1 4.38Å; Q282-V547 HydrophobicContact CG-CG1 4.37Å
283	L	87.6	Confident	80.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-46.7	-176.3	-174.6	53.7	0	0	0	111.7	I247 V268 F277 L279 G280 K285 I286 M287 I539 L542	I247-L283 HydrophobicContact CD1-CD2 4.31Å; I247-L283 HydrophobicContact CG2-CD2 4.03Å; V268-L283 HydrophobicContact CG1-CD2 3.89Å; V268-L283 HydrophobicContact CG1-CG 4.09Å; F277-L283 HydrophobicContact CZ-CD2 4.33Å; L279-L283 PolarHBondContact O-N 3.25Å; G280-L283 PolarHBondContact O-N 2.97Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.6Å; L283-I286 PolarHBondContact O-N 3.04Å; L283-M287 HydrophobicContact CD1-CG 3.88Å; L283-M287 HydrophobicContact CD1-SD 4.09Å; L283-M287 HydrophobicContact CG-CG 4.18Å; L283-M287 VanDerWaalsContact O-CG 3.32Å; L283-M287 WeakPolarHBondContact O-CG 3.43Å; L283-M287 PolarHBondContact O-N 2.94Å; L283-I539 HydrophobicContact CD1-CG1 4.21Å; L283-I539 HydrophobicContact CD2-CD1 4.08Å; L283-I539 HydrophobicContact CD2-CG1 3.88Å; L283-L542 HydrophobicContact CB-CD1 4.4Å; L283-L542 HydrophobicContact CD1-CD1 4.35Å
284	K	89.4	Confident	81.6	Confident	74 Å²	74	49.4 Å²	49.4	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-51.3	-44.4	173.2	176	170.1	170.4	168.1	0	112.4	V266 D267 V268 G280 Q288	V266-K284 WeakPolarHBondContact O-CE 3.48Å; V266-K284 WeakPolarHBondContact O-CG 3.29Å; D267-K284 WeakPolarHBondContact OD1-CE 3.43Å; D267-K284 IonicContact OD1-NZ 3.76Å; D267-K284 PolarHBondContact OD1-NZ 3Å; V268-K284 HydrophobicContact CB-CB 4.17Å; V268-K284 HydrophobicContact CG2-CB 3.89Å; G280-K284 WeakPolarHBondContact O-CB 3.41Å; G280-K284 PolarHBondContact O-N 2.84Å; K284-Q288 WeakPolarHBondContact O-CB 3.41Å; K284-Q288 PolarHBondContact O-N 3.34Å
285	K	87.5	Confident	82.6	Confident	71 Å²	71	42.5 Å²	42.5	31%	0.309	20%	0.203	S	C	.	.	H	α-helix	trans	-68	-39.4	178.1	179.5	177.6	170.6	-171.7	0	112.8	H281 Q282 L283 T289 V547 V548 M581	H281-K285 WeakPolarHBondContact O-CB 3.45Å; H281-K285 PolarHBondContact O-N 2.89Å; Q282-K285 PolarHBondContact O-N 3.37Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.6Å; K285-T289 WeakPolarHBondContact O-CB 3.41Å; K285-T289 PolarHBondContact O-N 3.07Å; K285-T289 PolarHBondContact O-OG1 3.08Å; K285-V547 PolarHBondContact NZ-O 2.9Å; K285-V548 VanDerWaalsContact NZ-C 3.32Å; K285-V548 PolarHBondContact NZ-O 2.88Å; K285-M581 HydrophobicContact CD-SD 4.26Å
286	I	91.1	Very high	83.5	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-49.1	175.4	-72.6	166.9	0	0	0	110.4	Q282 L283 T289 F290 F534 R538 L542 D550	Q282-I286 HydrophobicContact CG-CD1 3.79Å; Q282-I286 WeakPolarHBondContact O-CG1 3.39Å; Q282-I286 PolarHBondContact O-N 3.02Å; L283-I286 PolarHBondContact O-N 3.04Å; I286-T289 WeakPolarHBondContact O-CB 3.41Å; I286-T289 PolarHBondContact O-N 2.84Å; I286-F290 PolarHBondContact O-N 3.1Å; I286-F534 HydrophobicContact CG2-CE1 3.68Å; I286-F534 HydrophobicContact CG2-CZ 4.09Å; I286-R538 HydrophobicContact CG2-CB 4.45Å; I286-R538 HydrophobicContact CG2-CG 3.93Å; I286-L542 HydrophobicContact CD1-CD2 3.41Å; I286-L542 VanDerWaalsContact CD1-CD2 3.41Å; I286-D550 WeakPolarHBondContact CD1-OD1 3.49Å; I286-D550 HydrophobicContact CG1-CB 4.45Å; I286-D550 WeakPolarHBondContact CG1-OD1 3.46Å
287	M	94.1	Very high	83.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-48.2	178	-62.6	-47.5	-69.6	0	0	111.6	V249 V266 V268 L283 T289 F290 V291 T531 F534 A535	V249-M287 HydrophobicContact CG1-CB 4.48Å; V249-M287 HydrophobicContact CG1-CE 4.3Å; V249-M287 HydrophobicContact CG1-CG 4.4Å; V249-M287 HydrophobicContact CG2-CG 4.45Å; V266-M287 HydrophobicContact CG1-CB 3.91Å; V268-M287 HydrophobicContact CG2-CG 4.41Å; L283-M287 HydrophobicContact CD1-CG 3.88Å; L283-M287 HydrophobicContact CD1-SD 4.09Å; L283-M287 HydrophobicContact CG-CG 4.18Å; L283-M287 VanDerWaalsContact O-CG 3.32Å; L283-M287 WeakPolarHBondContact O-CG 3.43Å; L283-M287 PolarHBondContact O-N 2.94Å; M287-T289 PolarHBondContact O-N 2.83Å; M287-F290 PolarHBondContact O-N 3.4Å; M287-V291 VanDerWaalsContact O-CB 3.27Å; M287-V291 WeakPolarHBondContact O-CB 3.29Å; M287-V291 VanDerWaalsContact O-CG2 3.24Å; M287-V291 WeakPolarHBondContact O-CG2 3.43Å; M287-V291 PolarHBondContact O-N 2.98Å; M287-T531 HydrophobicContact CE-CG2 3.5Å; M287-T531 WeakPolarHBondContact CE-O 3.4Å; M287-F534 HydrophobicContact CE-CD1 4.22Å; M287-F534 HydrophobicContact SD-CD1 3.84Å; M287-F534 HydrophobicContact SD-CE1 4.24Å; M287-A535 HydrophobicContact CE-CB 3.93Å; M287-A535 HydrophobicContact SD-CB 4.05Å
288	Q	93.4	Very high	83.2	Confident	50 Å²	50	39.9 Å²	39.9	23%	0.234	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-40.4	174	-175.7	69.8	74.8	0	0	111.8	P264 V266 K284 T292	P264-Q288 PolarHBondContact O-NE2 3.48Å; V266-Q288 HydrophobicContact CB-CB 4.22Å; V266-Q288 HydrophobicContact CG2-CB 4.28Å; K284-Q288 WeakPolarHBondContact O-CB 3.41Å; K284-Q288 PolarHBondContact O-N 3.34Å; Q288-T292 PolarHBondContact NE2-OG1 3.41Å; Q288-T292 VanDerWaalsContact O-CB 3.23Å; Q288-T292 WeakPolarHBondContact O-CB 3.12Å; Q288-T292 PolarHBondContact O-N 3.05Å; Q288-T292 PolarHBondContact O-OG1 3.28Å
289	T	90.8	Very high	82.4	Confident	67 Å²	67	46.5 Å²	46.5	41%	0.411	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-47	178	-59.8	0	0	0	0	111.5	K285 I286 M287 Q293	K285-T289 WeakPolarHBondContact O-CB 3.41Å; K285-T289 PolarHBondContact O-N 3.07Å; K285-T289 PolarHBondContact O-OG1 3.08Å; I286-T289 WeakPolarHBondContact O-CB 3.41Å; I286-T289 PolarHBondContact O-N 2.84Å; M287-T289 PolarHBondContact O-N 2.83Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.01Å; T289-Q293 VanDerWaalsContact O-N 3.14Å
290	F	93.7	Very high	80.9	Confident	7 Å²	7	54.6 Å²	54.6	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-52.7	176.4	168.9	-91.1	0	0	0	112.1	I286 M287 T292 Q293 Q294 I520 Q530 T531 F534	I286-F290 PolarHBondContact O-N 3.1Å; M287-F290 PolarHBondContact O-N 3.4Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.04Å; F290-Q293 PolarHBondContact O-N 3.02Å; F290-Q294 HydrophobicContact CD2-CG 4.08Å; F290-Q294 HydrophobicContact CE1-CG 4.25Å; F290-Q294 HydrophobicContact CE2-CG 3.73Å; F290-Q294 HydrophobicContact CG-CG 4.49Å; F290-Q294 HydrophobicContact CZ-CB 4.47Å; F290-Q294 HydrophobicContact CZ-CG 3.83Å; F290-Q294 PolarHBondContact O-N 3.36Å; F290-I520 HydrophobicContact CE2-CG2 4.21Å; F290-Q530 HydrophobicContact CZ-CG 4.04Å; F290-Q530 WeakPolarHBondContact CZ-O 3.24Å; F290-T531 HydrophobicContact CE1-CG2 4.43Å; F290-F534 HydrophobicContact CB-CD1 3.7Å; F290-F534 HydrophobicContact CB-CE1 3.39Å; F290-F534 HydrophobicContact CB-CZ 4.05Å; F290-F534 AromaticContact CD1-CD1 3.93Å; F290-F534 HydrophobicContact CD1-CD1 3.93Å; F290-F534 HydrophobicContact CD1-CG 4.37Å; F290-F534 HydrophobicContact CD2-CB 4.11Å; F290-F534 AromaticContact CD2-CD1 3.46Å; F290-F534 HydrophobicContact CD2-CD1 3.46Å; F290-F534 VanDerWaalsContact CD2-CD1 3.46Å; F290-F534 AromaticContact CD2-CD2 3.72Å; F290-F534 HydrophobicContact CD2-CD2 3.72Å; F290-F534 AromaticContact CD2-CE1 3.68Å; F290-F534 HydrophobicContact CD2-CE1 3.68Å; F290-F534 AromaticContact CD2-CE2 3.92Å; F290-F534 HydrophobicContact CD2-CE2 3.92Å; F290-F534 AromaticContact CD2-CG 3.47Å; F290-F534 HydrophobicContact CD2-CG 3.47Å; F290-F534 VanDerWaalsContact CD2-CG 3.47Å; F290-F534 AromaticContact CD2-CZ 3.9Å; F290-F534 HydrophobicContact CD2-CZ 3.9Å; F290-F534 HydrophobicContact CE1-CB 4.22Å; F290-F534 HydrophobicContact CE1-CD1 4.45Å; F290-F534 HydrophobicContact CE1-CG 4.49Å; F290-F534 HydrophobicContact CE2-CB 3.74Å; F290-F534 HydrophobicContact CE2-CD1 4.01Å; F290-F534 AromaticContact CE2-CD2 3.84Å; F290-F534 HydrophobicContact CE2-CD2 3.84Å; F290-F534 HydrophobicContact CE2-CE2 4.44Å; F290-F534 AromaticContact CE2-CG 3.58Å; F290-F534 HydrophobicContact CE2-CG 3.58Å; F290-F534 HydrophobicContact CG-CB 4.49Å; F290-F534 AromaticContact CG-CD1 3.41Å; F290-F534 HydrophobicContact CG-CD1 3.41Å; F290-F534 VanDerWaalsContact CG-CD1 3.41Å; F290-F534 AromaticContact CG-CE1 3.62Å; F290-F534 HydrophobicContact CG-CE1 3.62Å; F290-F534 AromaticContact CG-CG 3.89Å; F290-F534 HydrophobicContact CG-CG 3.89Å; F290-F534 HydrophobicContact CG-CZ 4.26Å; F290-F534 HydrophobicContact CZ-CB 3.81Å; F290-F534 HydrophobicContact CZ-CD1 4.48Å; F290-F534 HydrophobicContact CZ-CG 4.11Å
291	V	93.6	Very high	79	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.4	-47.4	178.5	165.1	0	0	0	0	110.3	L251 P264 V266 M287 Q293 Q294 W295 F527 T531	L251-V291 HydrophobicContact CD2-CG2 4.02Å; P264-V291 HydrophobicContact CG-CG1 3.57Å; V266-V291 HydrophobicContact CG2-CB 4.02Å; V266-V291 HydrophobicContact CG2-CG1 3.96Å; V266-V291 HydrophobicContact CG2-CG2 3.96Å; M287-V291 VanDerWaalsContact O-CB 3.27Å; M287-V291 WeakPolarHBondContact O-CB 3.29Å; M287-V291 VanDerWaalsContact O-CG2 3.24Å; M287-V291 WeakPolarHBondContact O-CG2 3.43Å; M287-V291 PolarHBondContact O-N 2.98Å; V291-Q293 VanDerWaalsContact C-N 3.28Å; V291-Q293 PolarHBondContact O-N 3.28Å; V291-Q294 PolarHBondContact O-N 3.41Å; V291-W295 VanDerWaalsContact O-CB 3.28Å; V291-W295 WeakPolarHBondContact O-CB 3.42Å; V291-W295 PolarHBondContact O-N 3.3Å; V291-F527 HydrophobicContact CB-CZ 4.36Å; V291-F527 HydrophobicContact CG1-CZ 4.16Å; V291-F527 HydrophobicContact CG2-CZ 4.1Å; V291-T531 HydrophobicContact CG2-CG2 4.33Å
292	T	92.2	Very high	76.7	Confident	71 Å²	71	66.2 Å²	66.2	44%	0.436	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-36.2	177.3	-55.6	0	0	0	0	112.9	V263 Q288 F290	V263-T292 HydrophobicContact CG1-CG2 4.22Å; Q288-T292 PolarHBondContact NE2-OG1 3.41Å; Q288-T292 VanDerWaalsContact O-CB 3.23Å; Q288-T292 WeakPolarHBondContact O-CB 3.12Å; Q288-T292 PolarHBondContact O-N 3.05Å; Q288-T292 PolarHBondContact O-OG1 3.28Å; F290-T292 VanDerWaalsContact C-N 3.32Å; F290-T292 PolarHBondContact O-N 3.04Å
293	Q	90.5	Very high	74.1	Confident	105 Å²	105	70.8 Å²	70.8	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-75.5	-40.7	177.3	-70.6	175.6	26.6	0	0	112.5	T289 F290 V291 Q297	T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.01Å; T289-Q293 VanDerWaalsContact O-N 3.14Å; F290-Q293 PolarHBondContact O-N 3.02Å; V291-Q293 VanDerWaalsContact C-N 3.28Å; V291-Q293 PolarHBondContact O-N 3.28Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-NE2 3.43Å
294	Q	91.6	Very high	71.1	Confident	8 Å²	8	76.6 Å²	76.6	4%	0.037	40%	0.402	C	S	.	.	H	α-helix	trans	-88.2	-27.5	-170.6	-70.7	-54.4	-64.7	0	0	114.4	F290 V291 K296 Q297 I520 R523 F527	F290-Q294 HydrophobicContact CD2-CG 4.08Å; F290-Q294 HydrophobicContact CE1-CG 4.25Å; F290-Q294 HydrophobicContact CE2-CG 3.73Å; F290-Q294 HydrophobicContact CG-CG 4.49Å; F290-Q294 HydrophobicContact CZ-CB 4.47Å; F290-Q294 HydrophobicContact CZ-CG 3.83Å; F290-Q294 PolarHBondContact O-N 3.36Å; V291-Q294 PolarHBondContact O-N 3.41Å; Q294-K296 VanDerWaalsContact C-N 3.3Å; Q294-K296 PolarHBondContact O-N 2.92Å; Q294-K296 VanDerWaalsContact O-N 3.15Å; Q294-Q297 VanDerWaalsContact NE2-NE2 3.18Å; Q294-Q297 PolarHBondContact O-N 3.39Å; Q294-I520 HydrophobicContact CG-CG2 4.27Å; Q294-R523 PolarHBondContact O-NH1 2.88Å; Q294-F527 HydrophobicContact CB-CD2 4.3Å; Q294-F527 HydrophobicContact CB-CE2 3.77Å
295	W	88.9	Confident	68.3	Low	2 Å²	2	81 Å²	81	1%	0.008	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-48.4	-174.4	-168.5	-114.9	0	0	0	113	C253 Y258 L259 P262 V263 P264 V291 F527	C253-W295 HydrophobicContact CB-CH2 3.86Å; C253-W295 HydrophobicContact CB-CZ2 4.18Å; Y258-W295 AromaticContact CD2-CH2 3.63Å; Y258-W295 HydrophobicContact CD2-CH2 3.63Å; Y258-W295 HydrophobicContact CD2-CZ2 4.45Å; Y258-W295 HydrophobicContact CD2-CZ3 4.29Å; Y258-W295 AromaticContact CE2-CH2 3.64Å; Y258-W295 HydrophobicContact CE2-CH2 3.64Å; Y258-W295 AromaticContact CE2-CZ3 3.83Å; Y258-W295 HydrophobicContact CE2-CZ3 3.83Å; L259-W295 HydrophobicContact CD2-CD2 3.98Å; L259-W295 HydrophobicContact CD2-CE3 3.69Å; L259-W295 HydrophobicContact CD2-CZ3 3.98Å; L259-W295 VanDerWaalsContact N-CZ2 3.3Å; P262-W295 PolarHBondContact O-NE1 3.17Å; V263-W295 HydrophobicContact CG2-CB 4.42Å; V263-W295 HydrophobicContact CG2-CG 4.44Å; P264-W295 VanDerWaalsContact CD-CD2 3.48Å; P264-W295 VanDerWaalsContact CD-CE2 3.46Å; P264-W295 HydrophobicContact CG-CD2 4.16Å; P264-W295 HydrophobicContact CG-CE3 3.89Å; P264-W295 HydrophobicContact CG-CH2 3.98Å; P264-W295 HydrophobicContact CG-CZ2 4.23Å; P264-W295 HydrophobicContact CG-CZ3 3.81Å; V291-W295 VanDerWaalsContact O-CB 3.28Å; V291-W295 WeakPolarHBondContact O-CB 3.42Å; V291-W295 PolarHBondContact O-N 3.3Å; W295-F527 HydrophobicContact CE3-CD1 4.11Å; W295-F527 AromaticContact CE3-CE1 3.59Å; W295-F527 HydrophobicContact CE3-CE1 3.59Å; W295-F527 HydrophobicContact CE3-CE2 4.22Å; W295-F527 AromaticContact CE3-CZ 3.65Å; W295-F527 HydrophobicContact CE3-CZ 3.65Å; W295-F527 AromaticContact CZ3-CD1 3.99Å; W295-F527 HydrophobicContact CZ3-CD1 3.99Å; W295-F527 AromaticContact CZ3-CE1 3.62Å; W295-F527 HydrophobicContact CZ3-CE1 3.62Å; W295-F527 HydrophobicContact CZ3-CZ 4.18Å
296	K	76.2	Confident	65.5	Low	119 Å²	119	87 Å²	87	52%	0.517	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.4	-172.6	-56.7	-159.2	173.8	-156.4	0	115.9	G261 Q294 S298	G261-K296 WeakPolarHBondContact O-CE 3.31Å; G261-K296 PolarHBondContact O-NZ 3.5Å; Q294-K296 VanDerWaalsContact C-N 3.3Å; Q294-K296 PolarHBondContact O-N 2.92Å; Q294-K296 VanDerWaalsContact O-N 3.15Å; K296-S298 PolarHBondContact O-N 3.48Å; K296-S298 VanDerWaalsContact O-N 3.15Å
297	Q	67.2	Low	62.4	Low	96 Å²	96	90.3 Å²	90.3	45%	0.449	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-72.1	-5	-178.5	-71.4	-174.3	31	0	0	114.5	Q293 Q294 K299	Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-NE2 3.43Å; Q294-Q297 VanDerWaalsContact NE2-NE2 3.18Å; Q294-Q297 PolarHBondContact O-N 3.39Å; Q297-K299 PolarHBondContact O-N 3.23Å; Q297-K299 VanDerWaalsContact O-N 3.13Å
298	S	51.3	Low	59.6	Low	72 Å²	72	100.8 Å²	100.8	50%	0.503	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17.1	-174.8	-164.5	0	0	0	0	115.7	K296	K296-S298 PolarHBondContact O-N 3.48Å; K296-S298 VanDerWaalsContact O-N 3.15Å
299	K	45.1	Very low	56.4	Low	151 Å²	151	108.4 Å²	108.4	66%	0.657	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-102.5	-6.4	-167.8	-70.9	-176.1	179.2	175.1	0	116.2	N260 Q297	N260-K299 WeakPolarHBondContact OD1-CE 3.26Å; N260-K299 PolarHBondContact OD1-NZ 3.28Å; Q297-K299 PolarHBondContact O-N 3.23Å; Q297-K299 VanDerWaalsContact O-N 3.13Å
300	E	37.4	Very low	53.7	Low	174 Å²	174	113.7 Å²	113.7	81%	0.813	60%	0.595	S	S	*	*	S	Bend	trans	-102.4	-7.1	-170.8	-66.6	-167.7	149.1	0	0	116.1
301	K	36.4	Very low	50.5	Low	197 Å²	197	118.6 Å²	118.6	86%	0.857	63%	0.63	S	S	*	*	S	Bend	trans	-109.2	-0.2	-171.8	-76.1	-176.3	177.6	173.5	0	116.7
302	S	30.6	Very low	47.4	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	68%	0.675	S	S	*	*	S	Bend	trans	-94.2	9.1	179.9	50.7	0	0	0	0	114.8
303	S	27.3	Very low	44.5	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	70%	0.696	S	S	*	*	S	Bend	trans	-135.5	103.5	-177.6	-178.1	0	0	0	0	112.5
304	C	24.9	Very low	41.5	Very low	123 Å²	123	139.5 Å²	139.5	83%	0.831	72%	0.717	S	S	*	*			trans	145.3	60.8	151.8	-81.2	0	0	0	0	114.1
305	L	31.3	Very low	38.5	Very low	166 Å²	166	145.7 Å²	145.7	87%	0.869	76%	0.755	S	S	*	*			trans	-94.9	102.5	147.3	-81	172.4	0	0	0	108.1
306	H	27.9	Very low	35.7	Very low	199 Å²	199	155.1 Å²	155.1	92%	0.921	80%	0.796	S	S	*	*			trans	159.5	150	149.2	-92.6	75.5	0	0	0	110.9
307	G	26.4	Very low	33.4	Very low	77 Å²	77	154 Å²	154	79%	0.794	80%	0.803	S	S	*	*			trans	103.7	79.4	163.6	0	0	0	0	0	117.6
308	K	34.6	Very low	31.6	Very low	219 Å²	219	155.3 Å²	155.3	95%	0.952	82%	0.82	S	S	*	*			trans	-72.2	125	159.2	-78.3	179.9	177.1	174.1	0	110.2
309	K	26.8	Very low	30.7	Very low	210 Å²	210	159 Å²	159	91%	0.913	83%	0.833	S	S	*	*			trans	-153.1	140	150.7	-122.1	174.7	-175.7	178.2	0	112.1
310	L	34	Very low	30.1	Very low	178 Å²	178	159.5 Å²	159.5	93%	0.932	84%	0.838	S	S	*	*			trans	-99.1	132.5	175.2	-80.3	156.3	0	0	0	109.4
311	S	26.7	Very low	29.9	Very low	110 Å²	110	158.9 Å²	158.9	77%	0.769	84%	0.839	S	S	*	*			trans	-158.6	94.5	159.5	61.4	0	0	0	0	112.9
312	E	28.3	Very low	29.6	Very low	202 Å²	202	159.8 Å²	159.8	94%	0.944	84%	0.843	S	S	*	*			trans	61.5	161.1	143.8	-53.8	-153.7	118	0	0	122.2
313	K	31.9	Very low	29.6	Very low	200 Å²	200	158.3 Å²	158.3	87%	0.87	83%	0.833	S	S	*	*			trans	-104.8	140.2	-170	-60.8	167.4	-178.6	170.2	0	110.7
314	K	26.7	Very low	29.7	Very low	214 Å²	214	160.3 Å²	160.3	93%	0.93	84%	0.841	S	S	*	*			trans	-131.9	117.5	154.8	-114.7	171.6	-176.7	168.5	0	110.6
315	V	28.6	Very low	30.1	Very low	137 Å²	137	162.7 Å²	162.7	83%	0.83	85%	0.845	S	S	*	*			trans	-74.2	133.7	-176.2	177.6	0	0	0	0	110.4
316	K	29.9	Very low	30	Very low	200 Å²	200	166.4 Å²	166.4	87%	0.87	85%	0.847	S	S	*	*			trans	-135.7	156.3	161.9	-78	-169.9	174.4	-179.7	0	110.3
317	S	27.1	Very low	29.9	Very low	95 Å²	95	169 Å²	169	66%	0.664	85%	0.849	S	S	*	*			trans	-66.3	143.5	-162.7	-170.4	0	0	0	0	114.6	L319	S317-L319 VanDerWaalsContact C-N 3.3Å; S317-L319 PolarHBondContact O-N 2.74Å
318	P	29.8	Very low	30	Very low	125 Å²	125	170.2 Å²	170.2	81%	0.812	85%	0.845	S	S	*	*	S	Bend	trans	-78.3	69.3	178.2	34.4	-37.4	0	0	0	112.7
319	L	33.5	Very low	29.8	Very low	149 Å²	149	165.4 Å²	165.4	78%	0.78	84%	0.836	S	S	*	*			trans	-136.8	57.8	172.5	-76.9	-178.6	0	0	0	112.6	S317	S317-L319 VanDerWaalsContact C-N 3.3Å; S317-L319 PolarHBondContact O-N 2.74Å
320	H	32.2	Very low	29.8	Very low	162 Å²	162	161.1 Å²	161.1	75%	0.75	83%	0.833	S	S	*	*			trans	-157.6	87	158.4	-116	-79.6	0	0	0	111.1	S323	H320-S323 PolarHBondContact ND1-OG 3.2Å
321	L	32	Very low	29.5	Very low	161 Å²	161	162.6 Å²	162.6	84%	0.843	83%	0.828	S	S	*	*			trans	-147.6	35.6	174.3	-135.9	157.3	0	0	0	112.5
322	F	30.8	Very low	29.8	Very low	216 Å²	216	162.3 Å²	162.3	95%	0.947	82%	0.823	S	S	*	*			trans	-151	70.8	170.4	-84.6	-68.7	0	0	0	110.1
323	S	31.3	Very low	30	Very low	83 Å²	83	158.3 Å²	158.3	58%	0.58	82%	0.815	S	S	*	*			trans	-148.3	28.7	-178	59.3	0	0	0	0	115.8	H320	H320-S323 PolarHBondContact ND1-OG 3.2Å
324	T	29.4	Very low	30.2	Very low	140 Å²	140	155.2 Å²	155.2	86%	0.859	82%	0.815	S	S	*	*	S	Bend	trans	-134.5	17.5	175.7	40.1	0	0	0	0	114.3
325	L	31.9	Very low	30.3	Very low	173 Å²	173	148.5 Å²	148.5	91%	0.906	81%	0.806	S	S	*	*	S	Bend	trans	-133.9	48.6	177.9	-90.5	178.1	0	0	0	114.3
326	R	29.5	Very low	30.1	Very low	245 Å²	245	147.6 Å²	147.6	93%	0.925	81%	0.805	S	S	*	*			trans	-154.6	111.9	154.7	-75.1	-157.1	-177.1	-163.2	0.1	112.1
327	R	27.3	Very low	30.1	Very low	252 Å²	252	141.7 Å²	141.7	95%	0.951	80%	0.801	S	S	*	*			trans	-157.8	76.5	151.4	-109.3	-177.6	-170.8	-175.7	3.2	109.8
328	S	28.7	Very low	30	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	81%	0.808	S	S	*	*			trans	-68.9	146.8	162.7	-47.6	0	0	0	0	109.4	S330	S328-S330 PolarHBondContact O-N 2.93Å
329	P	29.6	Very low	30	Very low	118 Å²	118	145.4 Å²	145.4	77%	0.766	81%	0.806	S	S	*	*			trans	-64.7	126.5	166.7	-18.7	32.2	0	0	0	110.3
330	S	26.6	Very low	29.6	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	81%	0.813	S	S	*	*			trans	-91.7	115.2	175.7	-62.2	0	0	0	0	110.5	S328	S328-S330 PolarHBondContact O-N 2.93Å
331	Y	28.5	Very low	29.5	Very low	208 Å²	208	145.9 Å²	145.9	82%	0.816	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-100.8	154.2	165.9	-89.2	-96.3	0	0	0	111.2
332	P	32	Very low	29.2	Very low	104 Å²	104	148 Å²	148	68%	0.675	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.5	160.1	-168.1	32.9	-36.1	0	0	0	113.5
333	P	32.8	Very low	28.9	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.8	176.9	28.6	-35.1	0	0	0	112.1	G335	P333-G335 PolarHBondContact O-N 2.88Å
334	P	35.3	Very low	28.6	Very low	134 Å²	134	151 Å²	151	87%	0.87	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-61.2	120.5	176.7	-25.5	35.3	0	0	0	113.2
335	G	28.6	Very low	28.4	Very low	73 Å²	73	148 Å²	148	75%	0.753	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.9	138.1	171.9	0	0	0	0	0	111.9	P333 G337	P333-G335 PolarHBondContact O-N 2.88Å; G335-G337 PolarHBondContact O-N 2.91Å; G335-G337 VanDerWaalsContact O-N 3.15Å
336	C	26.1	Very low	28.1	Very low	119 Å²	119	147.5 Å²	147.5	80%	0.804	80%	0.803	S	S	*	*			trans	-64.7	111.4	-179.7	179.4	0	0	0	0	112.3	K338	C336-K338 PolarHBondContact O-N 3.49Å
337	G	28.5	Very low	28.2	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	79%	0.792	S	S	*	*			trans	-73.5	108.9	172.7	0	0	0	0	0	111.5	G335 S339	G335-G337 PolarHBondContact O-N 2.91Å; G335-G337 VanDerWaalsContact O-N 3.15Å; G337-S339 PolarHBondContact O-N 2.82Å
338	K	26	Very low	28.3	Very low	189 Å²	189	137.4 Å²	137.4	82%	0.822	78%	0.781	S	S	*	*			trans	-77.9	116.2	-179.6	-65.1	175.5	-178.8	174.8	0	111.1	C336	C336-K338 PolarHBondContact O-N 3.49Å
339	S	29.1	Very low	28.3	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	78%	0.784	S	S	*	*			trans	-65.6	137	159.3	48.1	0	0	0	0	110.1	G337	G337-S339 PolarHBondContact O-N 2.82Å
340	K	25.8	Very low	28.3	Very low	212 Å²	212	137.9 Å²	137.9	92%	0.922	79%	0.786	S	S	*	*			trans	-116	80.3	170.5	-90.8	-172.4	173.4	178.9	0	109.6
341	S	29.6	Very low	28.4	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	78%	0.776	S	S	*	*			trans	-92.8	127.1	157.6	43.6	0	0	0	0	109
342	K	25.1	Very low	28.5	Very low	204 Å²	204	135.2 Å²	135.2	89%	0.887	78%	0.775	S	S	*	*			trans	-81.8	119.8	170.7	-91.3	-179.1	172.2	178.8	0	108.8
343	L	26.2	Very low	28.4	Very low	171 Å²	171	135.8 Å²	135.8	90%	0.895	78%	0.776	S	S	*	*				-166.3	168.6	122.1	-126.2	69.2	0	0	0	111.3
344	K	23.4	Very low	28.3	Very low	192 Å²	192	137 Å²	137	84%	0.835	77%	0.772	S	S	*	*			trans	-100.6	170.9	175.1	-80.6	-167.3	178.9	-169.7	0	109.6
345	S	25.7	Very low	28.1	Very low	76 Å²	76	138.2 Å²	138.2	53%	0.531	76%	0.763	S	S	.	*			cis	-155	159.6	16.3	-136.6	0	0	0	0	113.8
346	E	25.9	Very low	28.1	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	76%	0.763	S	S	*	*			trans	57.2	153.6	144.2	-73.7	158	128.9	0	0	120.9
347	Q	32	Very low	28.2	Very low	148 Å²	148	142.4 Å²	142.4	69%	0.692	76%	0.759	S	S	*	*			cis	-149.1	159.8	7	-140.3	176.6	-66.5	0	0	113.6
348	D	29.1	Very low	28.2	Very low	137 Å²	137	148.1 Å²	148.1	73%	0.733	76%	0.757	S	S	*	*			trans	63.5	155.4	156.6	-63.1	-32.5	0	0	0	123.4
349	G	28.7	Very low	28.4	Very low	76 Å²	76	148.6 Å²	148.6	78%	0.784	75%	0.753	S	S	*	*			trans	149	0.8	177.3	0	0	0	0	0	118.7
350	I	30.3	Very low	28.3	Very low	156 Å²	156	148.8 Å²	148.8	80%	0.8	75%	0.75	S	S	*	*			trans	-46.3	140.8	175.1	-77.8	166.3	0	0	0	113.3
351	S	28.2	Very low	28.3	Very low	92 Å²	92	144 Å²	144	64%	0.643	74%	0.742	S	S	*	*			cis	-177.7	-175.5	-0.7	-158.1	0	0	0	0	113.1
352	K	30.5	Very low	28.1	Very low	180 Å²	180	144.5 Å²	144.5	78%	0.783	75%	0.746	S	S	*	*			trans	71.9	147.3	150.8	-73.2	163.8	-173.4	175.1	0	121.2
353	T	30.3	Very low	28.2	Very low	116 Å²	116	140.9 Å²	140.9	71%	0.712	75%	0.746	S	S	*	*			cis	-170.2	156	-36.2	13.9	0	0	0	0	111.5
354	H	30.1	Very low	28.2	Very low	145 Å²	145	138.9 Å²	138.9	67%	0.671	74%	0.741	S	S	*	*			trans	74.1	122.3	148.3	-89.5	-163.6	0	0	0	122.6
355	K	30.7	Very low	28.4	Very low	160 Å²	160	136.6 Å²	136.6	70%	0.696	74%	0.743	S	S	*	*				48	141.7	112.3	-66.8	177	-174.9	157.1	0	118.8
356	L	28.5	Very low	28.5	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	76%	0.758	S	S	*	*			cis	-168.7	-176.1	19.4	-124.5	168	0	0	0	112
357	L	29.3	Very low	28.6	Very low	135 Å²	135	138 Å²	138	71%	0.707	75%	0.751	S	S	*	*			trans	75.5	101.6	154.1	-77.6	156.8	0	0	0	122.3
358	R	27.8	Very low	28.3	Very low	196 Å²	196	138.6 Å²	138.6	74%	0.74	76%	0.759	S	S	*	*				19	148	124.4	-46.4	178	177.2	-119	9.9	118.5
359	R	30.5	Very low	28.5	Very low	198 Å²	198	139.7 Å²	139.7	75%	0.747	76%	0.764	S	S	*	*			cis	171.1	153.8	46.1	-145.4	172.5	-175.3	162.8	-4.1	112.4
360	T	27	Very low	28.3	Very low	114 Å²	114	143.1 Å²	143.1	70%	0.699	77%	0.77	S	S	*	*			trans	62.8	105.2	149.6	27.7	0	0	0	0	123.5
361	C	25.3	Very low	28.2	Very low	111 Å²	111	141 Å²	141	75%	0.75	77%	0.767	S	S	*	*				53.2	112	115	-56	0	0	0	0	123.1
362	S	26.6	Very low	28	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	78%	0.775	S	S	*	*				53.5	117.1	119	-46.6	0	0	0	0	122.7
363	S	25.4	Very low	28	Very low	127 Å²	127	141.7 Å²	141.7	89%	0.888	78%	0.777	S	S	*	*			trans	-154.6	157.2	132.4	60.1	0	0	0	0	112.3
364	T	27.8	Very low	27.9	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	78%	0.779	S	S	*	*			trans	-89.1	157.9	-178.3	50.9	0	0	0	0	113.7
365	V	27.4	Very low	28	Very low	143 Å²	143	142.6 Å²	142.6	87%	0.867	79%	0.785	S	S	*	*			trans	-171	161.1	132	135.5	0	0	0	0	113.2
366	K	27.6	Very low	28	Very low	196 Å²	196	145.6 Å²	145.6	85%	0.852	79%	0.792	S	S	*	*			trans	-60.1	176.6	174	-62	175	-177.2	-178.3	0	114.4
367	A	27.7	Very low	27.9	Very low	73 Å²	73	144.4 Å²	144.4	60%	0.603	79%	0.791	S	S	*	*			cis	-175.4	173.9	-29.4	0	0	0	0	0	109.1
368	D	26.7	Very low	27.8	Very low	161 Å²	161	147.5 Å²	147.5	86%	0.861	80%	0.799	S	S	*	*			trans	72.3	161.7	161.6	-53.5	-34.8	0	0	0	120.8
369	D	31.4	Very low	27.8	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	80%	0.795	S	S	*	*			trans	-85.1	161.6	-159	-76.2	-66.3	0	0	0	117.4
370	V	24.7	Very low	27.7	Very low	149 Å²	149	143.5 Å²	143.5	90%	0.903	80%	0.804	S	S	*	*				-176	156.5	122.8	143.4	0	0	0	0	112.4
371	C	28.4	Very low	27.8	Very low	110 Å²	110	143 Å²	143	74%	0.743	81%	0.805	S	S	*	*			trans	-103.2	152.1	-167.3	178.5	0	0	0	0	115.5
372	A	24.8	Very low	28.1	Very low	98 Å²	98	145.7 Å²	145.7	81%	0.81	81%	0.811	S	S	*	*			trans	-142.3	164	166.9	0	0	0	0	0	112.7
373	K	30.9	Very low	28.2	Very low	189 Å²	189	145.2 Å²	145.2	82%	0.822	81%	0.808	S	S	*	*			trans	-141	151.9	-165.3	-58.5	173.5	179.6	172.5	0	115.9
374	S	27.7	Very low	28.3	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	80%	0.802	S	S	*	*			trans	-172.1	120.3	143.6	47.9	0	0	0	0	110.7
375	H	31.2	Very low	28.6	Very low	173 Å²	173	145.4 Å²	145.4	80%	0.801	80%	0.802	S	S	*	*				62.8	137	89.1	-66.7	-57.9	0	0	0	116.1
376	R	32.1	Very low	29.8	Very low	223 Å²	223	143.5 Å²	143.5	84%	0.842	79%	0.793	S	S	*	*			cis	-136.4	-140.8	7	-133.9	172.2	-174.8	158.6	0.6	110.7
377	T	25.7	Very low	30	Very low	119 Å²	119	144.7 Å²	144.7	73%	0.73	79%	0.792	S	S	*	*			cis	-149.5	-128.1	10.7	-38	0	0	0	0	112.3
378	F	27.7	Very low	30.1	Very low	201 Å²	201	145 Å²	145	88%	0.882	80%	0.795	S	S	*	*			trans	-154.2	170.2	-172.5	-80.5	-103.7	0	0	0	109.4
379	G	26.7	Very low	30.2	Very low	63 Å²	63	144 Å²	144	65%	0.649	79%	0.785	S	S	*	*			cis	158.8	168.8	-5.8	0	0	0	0	0	114
380	R	29.7	Very low	30.2	Very low	247 Å²	247	144.5 Å²	144.5	93%	0.932	78%	0.782	S	S	*	*			trans	72.7	136.6	173.1	-65.2	-175.3	176.6	-151.6	-2.6	117.5
381	S	29.3	Very low	30.4	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	78%	0.775	S	S	*	*			cis	103.9	136.5	43.8	-58.6	0	0	0	0	111
382	L	30.4	Very low	30.5	Very low	167 Å²	167	145.5 Å²	145.5	87%	0.874	78%	0.784	S	S	*	*				-167.8	162.1	58	-77.8	166.6	0	0	0	114.4
383	S	29.4	Very low	30.6	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	78%	0.782	S	S	*	*			trans	65.6	150.6	150.4	-127.4	0	0	0	0	120.6
384	S	27.6	Very low	30.3	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	78%	0.778	S	S	*	*			cis	-146.5	163.2	4.7	-53.4	0	0	0	0	112.1
385	D	34.2	Very low	30.3	Very low	149 Å²	149	145 Å²	145	80%	0.797	78%	0.78	S	S	*	*			trans	-114.2	177	173.7	-152.5	3.4	0	0	0	109.6
386	P	51.6	Low	30	Very low	104 Å²	104	146.7 Å²	146.7	68%	0.675	79%	0.785	S	S	*	*				-153.9	163.9	61.4	41.7	-20.3	0	0	0	120
387	R	31.9	Very low	29.6	Very low	221 Å²	221	140.6 Å²	140.6	83%	0.834	78%	0.777	S	S	*	*			trans	70.7	142.5	155.9	-76.6	-179.7	159.8	152.5	-4.1	117.9
388	A	30.9	Very low	29.6	Very low	80 Å²	80	143 Å²	143	66%	0.661	78%	0.779	S	S	*	*			cis	-173.3	164.3	-5.6	0	0	0	0	0	110.4
389	E	28.4	Very low	29.6	Very low	138 Å²	138	142 Å²	142	65%	0.645	77%	0.774	S	S	*	*			cis	-166.2	160.5	-22.1	-107.2	179.1	80.1	0	0	110
390	Q	31.3	Very low	29.6	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	78%	0.781	S	S	*	*			trans	41.3	144.8	151.6	-58.6	-172.8	49.2	0	0	123.3
391	A	28.5	Very low	29.4	Very low	92 Å²	92	142.6 Å²	142.6	76%	0.76	78%	0.78	S	S	*	*			cis	-170.3	164	-18.3	0	0	0	0	0	110.9
392	M	29.9	Very low	29.2	Very low	187 Å²	187	141.1 Å²	141.1	92%	0.921	78%	0.78	S	S	*	*			trans	-115.4	158.7	169.4	-77.6	-174.5	167	0	0	111.4
393	S	27.5	Very low	28.9	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	78%	0.783	S	S	*	*			trans	-179.8	147.1	139.8	38.4	0	0	0	0	118.6
394	T	24.8	Very low	29.1	Very low	118 Å²	118	145.3 Å²	145.3	72%	0.724	78%	0.783	S	S	*	*			trans	60.2	109.7	142.9	52	0	0	0	0	125.7
395	I	27.7	Very low	28.9	Very low	155 Å²	155	145.3 Å²	145.3	80%	0.795	78%	0.782	S	S	*	*				29.5	120.4	111.4	-47.2	166	0	0	0	119.8
396	K	24.2	Very low	29	Very low	209 Å²	209	144 Å²	144	91%	0.909	78%	0.782	S	S	*	*				-173.4	-172.1	127.5	-106.7	170.6	-175	175.3	0	114.1
397	S	23.3	Very low	27.7	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	79%	0.79	S	S	*	*			trans	-142.5	170.6	-152.5	55.7	0	0	0	0	116.9
398	H	26.4	Very low	27.4	Very low	169 Å²	169	140.5 Å²	140.5	78%	0.782	79%	0.794	S	S	*	*			trans	89.7	138.6	157.6	-75.8	-67	0	0	0	123.6
399	K	27.6	Very low	27.1	Very low	180 Å²	180	139.9 Å²	139.9	78%	0.783	80%	0.796	S	S	*	*			trans	82.8	106.6	142.3	-79.5	178.3	177.6	-177.6	0	123.3
400	L	26.5	Very low	27	Very low	150 Å²	150	142.8 Å²	142.8	79%	0.785	81%	0.806	S	S	*	*				61.4	144.1	111.9	-75.6	176.2	0	0	0	124.2
401	L	25.6	Very low	26.7	Very low	173 Å²	173	141.7 Å²	141.7	91%	0.906	80%	0.801	S	S	*	*			trans	75.7	143.8	163.9	-62.5	158.4	0	0	0	116.8
402	G	25.1	Very low	26.5	Very low	71 Å²	71	144.6 Å²	144.6	73%	0.732	80%	0.799	S	S	*	*			cis	-171.2	-164.1	0.8	0	0	0	0	0	116
403	R	25.5	Very low	26.2	Very low	246 Å²	246	143.6 Å²	143.6	93%	0.928	80%	0.798	S	S	*	*			trans	-43.6	172.2	176.9	-92.9	-176.8	173.9	-167	-1	117.2
404	P	33.2	Very low	25.9	Very low	121 Å²	121	143.1 Å²	143.1	79%	0.786	79%	0.793	S	S	*	*			cis	-135.1	-171.5	11	34.7	-12.7	0	0	0	116.5
405	C	23.6	Very low	25.9	Very low	112 Å²	112	144.6 Å²	144.6	76%	0.757	80%	0.796	S	S	*	*			trans	-120	157.8	167.3	171.2	0	0	0	0	109.3
406	P	34.8	Very low	25.8	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	79%	0.786	S	S	*	*			trans	-124.6	162	156.7	37.4	-26.2	0	0	0	114.9
407	T	24.4	Very low	25.7	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	78%	0.778	S	S	*	*			trans	-106.6	146.9	-166.5	48.2	0	0	0	0	115.3
408	A	26.1	Very low	25.8	Very low	110 Å²	110	142.6 Å²	142.6	91%	0.909	78%	0.783	S	S	*	*			trans	-174.7	151.8	143.6	0	0	0	0	0	110.4
409	G	25.6	Very low	25.7	Very low	68 Å²	68	138.2 Å²	138.2	70%	0.701	77%	0.772	S	S	*	*			cis	159.3	112.6	-14.6	0	0	0	0	0	114.7
410	K	25.6	Very low	25.6	Very low	198 Å²	198	137.3 Å²	137.3	86%	0.861	77%	0.77	S	S	*	*			trans	64.6	170.6	171.5	-50.6	-172.7	175	-173.7	0	115.6
411	Q	23.8	Very low	25.6	Very low	149 Å²	149	138 Å²	138	70%	0.696	77%	0.767	S	S	*	*			cis	-138.9	176.7	-1.1	-160.1	150.7	-19	0	0	112.5
412	E	24.5	Very low	25.5	Very low	153 Å²	153	136 Å²	136	72%	0.715	76%	0.756	S	S	*	*			trans	-68.1	161.6	177.8	-52.1	124.2	122.6	0	0	114
413	D	24.5	Very low	25.5	Very low	166 Å²	166	139.1 Å²	139.1	89%	0.888	76%	0.755	S	S	*	*				-158.3	166.9	106.5	-129.1	-36.3	0	0	0	113
414	C	22.2	Very low	25.4	Very low	100 Å²	100	133.4 Å²	133.4	68%	0.676	75%	0.748	S	S	*	*			trans	-114.6	163.4	-173.9	-166.4	0	0	0	0	112.8
415	L	23.9	Very low	25	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	75%	0.751	S	S	*	*				172.9	109.5	126.8	-91	170.6	0	0	0	115.1
416	T	24.7	Very low	25	Very low	96 Å²	96	137.3 Å²	137.3	59%	0.589	75%	0.745	S	S	*	*			trans	50.8	127.2	133.7	56.7	0	0	0	0	125.1
417	L	23.6	Very low	24.5	Very low	144 Å²	144	137.1 Å²	137.1	75%	0.754	75%	0.745	S	S	*	*				65.6	149	128.9	-61	171.4	0	0	0	118.4
418	K	25.1	Very low	24.6	Very low	176 Å²	176	135.9 Å²	135.9	77%	0.765	74%	0.742	S	S	*	*			cis	-165.5	174.6	12.3	-109.2	156.1	-179.6	177.7	0	107.1
419	S	24.1	Very low	24.6	Very low	78 Å²	78	134.7 Å²	134.7	55%	0.545	74%	0.741	S	S	.	*			cis	178.3	145.7	-34.9	58	0	0	0	0	110.5
420	H	25.3	Very low	24.5	Very low	160 Å²	160	138.7 Å²	138.7	74%	0.741	75%	0.746	S	S	*	*			trans	68.6	159.5	162.2	-59.1	-40.4	0	0	0	118
421	K	27.2	Very low	25.1	Very low	164 Å²	164	134.2 Å²	134.2	71%	0.713	74%	0.737	S	S	*	*			cis	-162.7	146.7	-19.4	-112.5	176.1	168.5	-177.8	0	111.7
422	L	23.5	Very low	25.2	Very low	132 Å²	132	138 Å²	138	69%	0.691	75%	0.745	S	S	*	*			trans	48.6	125.2	136.6	-66.3	170	0	0	0	124.3
423	L	25.1	Very low	25.2	Very low	136 Å²	136	136.3 Å²	136.3	71%	0.712	75%	0.749	S	S	*	*				96.8	134.4	122.7	-76.6	170.2	0	0	0	124.3
424	T	23.2	Very low	25.2	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	75%	0.745	S	S	*	*			trans	65.5	156.2	147	50.5	0	0	0	0	121.7
425	R	24.3	Very low	25.5	Very low	225 Å²	225	140.7 Å²	140.7	85%	0.849	75%	0.754	S	S	*	*			cis	-173.2	154.6	-37	-159.9	-169.2	176.1	-168.4	-1.2	108.6
426	S	24.6	Very low	25.5	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	75%	0.754	S	S	*	*			trans	87.1	158.4	152.2	-51	0	0	0	0	119.7
427	C	22.4	Very low	25.6	Very low	117 Å²	117	142.5 Å²	142.5	79%	0.791	77%	0.766	S	S	*	*			trans	69.2	119.7	167.9	-61	0	0	0	0	116.7
428	S	27.3	Very low	25.7	Very low	114 Å²	114	143 Å²	143	80%	0.797	77%	0.77	S	S	*	*			cis	100.9	109.7	27.1	73.3	0	0	0	0	113.4
429	G	25.3	Very low	25.8	Very low	86 Å²	86	142.8 Å²	142.8	89%	0.887	78%	0.776	S	S	*	*			trans	160.6	116	172.3	0	0	0	0	0	113
430	D	25.4	Very low	25.9	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	79%	0.791	S	S	*	*			trans	-121.6	138.8	164	-175.4	36.8	0	0	0	105.2
431	P	37.8	Very low	26.6	Very low	103 Å²	103	145.8 Å²	145.8	67%	0.669	79%	0.788	S	S	*	*				-154.7	148.8	89.1	38.5	-18.7	0	0	0	117.5
432	R	24.9	Very low	26.5	Very low	228 Å²	228	146.8 Å²	146.8	86%	0.86	79%	0.794	S	S	*	*			trans	67.6	154.9	157.1	-60.2	166.9	-175	173.2	1.2	115.3
433	C	25	Very low	26.9	Very low	119 Å²	119	149.2 Å²	149.2	80%	0.804	80%	0.799	S	S	*	*			cis	-148.7	-176.4	22.6	-150.9	0	0	0	0	112.7
434	E	25	Very low	27	Very low	168 Å²	168	150.4 Å²	150.4	79%	0.785	81%	0.806	S	S	*	*			trans	-71.5	150.9	-179.7	-50	177.4	128.7	0	0	113.9
435	H	27.7	Very low	27.2	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.875	81%	0.811	S	S	*	*				-163.8	153.1	123.2	-111.6	64.7	0	0	0	113.9
436	N	24.8	Very low	27.1	Very low	147 Å²	147	147 Å²	147	79%	0.786	81%	0.807	S	S	*	*			trans	-81.8	141.1	174.8	-91.1	-78.7	0	0	0	112.2
437	T	26.2	Very low	27.2	Very low	138 Å²	138	153.3 Å²	153.3	85%	0.847	82%	0.818	S	S	*	*			trans	-146	130.7	142.2	42.3	0	0	0	0	111
438	N	26.6	Very low	27.3	Very low	155 Å²	155	153.2 Å²	153.2	83%	0.829	82%	0.818	S	S	*	*			trans	-73.9	140	164.2	-87.3	-79	0	0	0	109.9
439	L	27.2	Very low	27.1	Very low	171 Å²	171	157.5 Å²	157.5	90%	0.895	82%	0.818	S	S	*	*			trans	-161.1	119.1	149.4	-110.1	162.9	0	0	0	113.1
440	K	25.9	Very low	27.1	Very low	196 Å²	196	158.6 Å²	158.6	85%	0.852	81%	0.812	S	S	*	*			trans	-141.9	161	159.2	-83	-178.9	-179	170.4	0	105.9
441	P	38.7	Very low	27	Very low	104 Å²	104	156.9 Å²	156.9	68%	0.675	81%	0.812	S	S	*	*			cis	-123.1	-178.1	4	41.9	-29.2	0	0	0	112.9
442	H	26.6	Very low	26.4	Very low	185 Å²	185	159.5 Å²	159.5	86%	0.856	82%	0.82	S	S	*	*				-162.1	159.3	113.4	-115.3	-93	0	0	0	110.9
443	K	30.3	Very low	26.4	Very low	183 Å²	183	157 Å²	157	80%	0.796	82%	0.823	S	S	*	*			trans	-98.3	147	178.3	-62.2	173.4	-178.8	172.7	0	110.2
444	L	27.2	Very low	26.3	Very low	162 Å²	162	162.5 Å²	162.5	85%	0.848	83%	0.827	S	S	*	*				150	107.7	124.1	-81.6	169.3	0	0	0	112.2
445	L	27.3	Very low	26.4	Very low	169 Å²	169	161.9 Å²	161.9	89%	0.885	83%	0.826	S	S	*	*				175.3	139.4	109	-96	166.8	0	0	0	111.3
446	S	23.6	Very low	26.1	Very low	111 Å²	111	162 Å²	162	78%	0.776	83%	0.827	S	S	*	*			trans	-90.2	139.9	171.6	-52.2	0	0	0	0	110.3
447	R	26.1	Very low	26.2	Very low	223 Å²	223	161.7 Å²	161.7	84%	0.842	82%	0.821	S	S	*	*			trans	-154.3	125.5	146.1	-114.6	169.1	-163.2	-143.9	2.2	112
448	S	24.6	Very low	26.2	Very low	114 Å²	114	163 Å²	163	80%	0.797	82%	0.821	S	S	*	*			trans	-77.9	146	172.3	-42.2	0	0	0	0	110.1
449	Y	24	Very low	26.1	Very low	205 Å²	205	166 Å²	166	80%	0.804	82%	0.823	S	S	*	*			trans	-130.9	123.4	154.1	-91.2	-82.6	0	0	0	110.1
450	S	24	Very low	25.9	Very low	108 Å²	108	161 Å²	161	76%	0.755	81%	0.813	S	S	*	*			trans	-89.7	153.6	158.3	53.9	0	0	0	0	108.8
451	S	24.4	Very low	25.9	Very low	116 Å²	116	159 Å²	159	81%	0.811	81%	0.811	S	S	*	*			trans	-140.7	122.7	154	46.2	0	0	0	0	109
452	N	23.9	Very low	25.2	Very low	158 Å²	158	162.3 Å²	162.3	85%	0.845	81%	0.814	S	S	*	*			trans	-79.7	145.3	150.4	-66.2	-85.9	0	0	0	106.2
453	L	24.4	Very low	25.1	Very low	175 Å²	175	159.6 Å²	159.6	92%	0.916	81%	0.806	S	S	*	*			trans	-146	145.5	147.9	-112	171.1	0	0	0	109.2
454	R	23.7	Very low	24.9	Very low	235 Å²	235	159.3 Å²	159.3	89%	0.887	81%	0.808	S	S	*	*			trans	-98.7	152.1	-179.2	-100.2	-176	172.7	171.4	-3.4	110.7
455	M	26.3	Very low	24.8	Very low	155 Å²	155	160.9 Å²	160.9	76%	0.764	81%	0.808	S	S	*	*			trans	-41.3	137.3	153.2	172.5	-175	-174.3	0	0	113.1	E457	M455-E457 HydrophobicContact CE-CG 3.82Å
456	E	22.9	Very low	24.8	Very low	192 Å²	192	160.8 Å²	160.8	90%	0.897	81%	0.807	S	S	*	*			trans	-146.2	147.3	149.1	-166.4	154	-143.3	0	0	108.6
457	E	26.7	Very low	24.8	Very low	141 Å²	141	162.5 Å²	162.5	66%	0.659	81%	0.806	S	S	*	*			trans	-110.2	153.5	-173.5	-57.4	171.5	98.2	0	0	111	M455	M455-E457 HydrophobicContact CE-CG 3.82Å
458	L	25.1	Very low	24.7	Very low	164 Å²	164	156.7 Å²	156.7	86%	0.859	80%	0.8	S	S	*	*			trans	-157.6	102.6	152.4	-118.4	138.8	0	0	0	115.6
459	Y	25	Very low	24.7	Very low	218 Å²	218	159.9 Å²	159.9	86%	0.855	80%	0.8	S	S	*	*			trans	18.6	140.1	141.4	-81.8	-100.6	0	0	0	122.5
460	G	23.6	Very low	24.7	Very low	67 Å²	67	155.7 Å²	155.7	69%	0.691	80%	0.8	S	S	*	*			trans	174.8	89.6	151.6	0	0	0	0	0	118.7
461	L	24.7	Very low	24.7	Very low	154 Å²	154	160.8 Å²	160.8	81%	0.806	80%	0.804	S	S	*	*			trans	44	130.3	146.6	-89.5	62	0	0	0	119.9
462	K	25	Very low	24.9	Very low	173 Å²	173	161 Å²	161	75%	0.752	81%	0.806	S	S	*	*				-175.6	154.6	55	-119.3	158.9	-175.9	176.9	0	112.2
463	N	24.6	Very low	24.9	Very low	129 Å²	129	157.4 Å²	157.4	69%	0.69	81%	0.807	S	S	*	*			trans	23.2	136.9	148.8	-49.4	-6.2	0	0	0	120.3
464	H	26.6	Very low	25	Very low	177 Å²	177	153.6 Å²	153.6	82%	0.819	80%	0.8	S	S	*	*				-154.3	155.5	56.1	-101	-96.5	0	0	0	114.7
465	K	24.4	Very low	25.8	Very low	195 Å²	195	148 Å²	148	85%	0.848	79%	0.794	S	S	*	*			trans	-91	153.5	158.5	-65.9	177.4	176.6	178	0	109.7
466	L	26.3	Very low	25.8	Very low	166 Å²	166	150.5 Å²	150.5	87%	0.869	80%	0.801	S	S	*	*				-165.9	164.2	125.8	-106.8	169.9	0	0	0	113.9
467	L	25.6	Very low	25.9	Very low	147 Å²	147	146.5 Å²	146.5	77%	0.77	79%	0.794	S	S	*	*			trans	-82.3	151.2	-158.1	-68.9	154.9	0	0	0	116.6
468	S	23.8	Very low	25.8	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	80%	0.799	S	S	*	*			trans	51.7	135.4	135.9	70.7	0	0	0	0	123
469	K	24.4	Very low	25.8	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	80%	0.798	S	S	*	*				-162.8	139.9	109.4	-107.7	167.3	-178	176.4	0	112.3
470	S	24.2	Very low	25.8	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	79%	0.793	S	S	*	*			trans	-100.5	143.8	167.4	-48.5	0	0	0	0	109
471	Y	23.3	Very low	25.7	Very low	215 Å²	215	148.5 Å²	148.5	84%	0.843	80%	0.802	S	S	*	*			trans	-142.1	141.2	160.8	-96.4	-79.8	0	0	0	110.5
472	S	27.4	Very low	25.7	Very low	120 Å²	120	149.1 Å²	149.1	84%	0.839	80%	0.801	S	S	*	*			trans	-120.2	149	173	51	0	0	0	0	109.3
473	G	24.3	Very low	25.6	Very low	84 Å²	84	150.9 Å²	150.9	87%	0.866	81%	0.809	S	S	*	*			trans	179	121.6	178.7	0	0	0	0	0	113.1
474	A	27.9	Very low	25.5	Very low	95 Å²	95	152.8 Å²	152.8	79%	0.785	81%	0.811	S	S	*	*			trans	-133.5	154.4	163.6	0	0	0	0	0	107
475	P	39.4	Very low	25.4	Very low	116 Å²	116	151.5 Å²	151.5	75%	0.753	81%	0.805	S	S	*	*				-154	149	98.3	37.3	-18.9	0	0	0	118
476	K	27	Very low	25.5	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	80%	0.801	S	S	*	*			trans	40.5	128	135.5	-58.1	177.1	178	178.4	0	122.2
477	S	25.1	Very low	25.4	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	80%	0.797	S	S	*	*				-160.1	127.9	127.1	59.2	0	0	0	0	114
478	S	24	Very low	25.3	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	80%	0.797	S	S	*	*			trans	22.1	148.3	144.3	54.8	0	0	0	0	122.8
479	K	25.6	Very low	25.4	Very low	196 Å²	196	147 Å²	147	85%	0.852	80%	0.798	S	S	*	*			cis	-163.5	164.2	6	-124.2	176.1	179.5	-178.2	0	111.6
480	N	24.6	Very low	25.5	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	80%	0.8	S	S	*	*			trans	-7.2	150.3	160.2	-69.2	29.2	0	0	0	119.9
481	E	22.3	Very low	25.6	Very low	188 Å²	188	147.2 Å²	147.2	88%	0.879	80%	0.801	S	S	*	*			cis	-138.2	178.6	48.3	-91.5	-164.8	141.9	0	0	118.3
482	H	24.8	Very low	25.8	Very low	167 Å²	167	148.6 Å²	148.6	77%	0.773	81%	0.805	S	S	*	*			trans	-134.8	148.7	-172	-101.1	-72.3	0	0	0	111
483	F	22.7	Very low	25.7	Very low	210 Å²	210	150.5 Å²	150.5	92%	0.921	81%	0.805	S	S	*	*			trans	-146.3	157.5	139.2	-112.6	-81	0	0	0	111.2
484	K	22.3	Very low	25.7	Very low	169 Å²	169	151.4 Å²	151.4	74%	0.735	80%	0.798	S	S	*	*			trans	-91.6	-175.8	179.1	-60.6	179.2	172.7	177.7	0	110.6
485	E	23.5	Very low	25.6	Very low	150 Å²	150	154.9 Å²	154.9	70%	0.701	80%	0.802	S	S	*	*			cis	-171.2	-171.4	24.6	-146.6	158.9	-124.2	0	0	108.4
486	P	27.9	Very low	25.4	Very low	116 Å²	116	155.4 Å²	155.4	75%	0.753	80%	0.803	S	S	*	*			cis	-104.3	176.9	-47.7	6.4	16.7	0	0	0	112.6
487	N	22.7	Very low	25.6	Very low	147 Å²	147	151.2 Å²	151.2	79%	0.786	80%	0.801	S	S	*	*			trans	-99.6	145.3	161.5	-176.6	17.7	0	0	0	110.6
488	A	23.8	Very low	25.7	Very low	93 Å²	93	149 Å²	149	77%	0.769	80%	0.795	S	S	*	*			trans	-144.7	112.8	171.8	0	0	0	0	0	110.8	G490	A488-G490 PolarHBondContact O-N 2.89Å
489	E	26.8	Very low	25.9	Very low	160 Å²	160	152 Å²	152	75%	0.748	80%	0.801	S	S	*	*			trans	-72.4	122.6	-177.5	-64.6	-166.5	137.2	0	0	112.9
490	G	25.1	Very low	26.1	Very low	79 Å²	79	150.2 Å²	150.2	81%	0.814	80%	0.799	S	S	*	*			trans	-114.8	83.4	170.4	0	0	0	0	0	111.8	A488 R492	A488-G490 PolarHBondContact O-N 2.89Å; G490-R492 PolarHBondContact O-N 2.77Å
491	R	27.9	Very low	26.1	Very low	222 Å²	222	146.6 Å²	146.6	84%	0.838	80%	0.796	S	S	*	*			trans	-58.4	127.9	-178.4	-64.7	178.9	-178	175.1	-0.1	111.9
492	R	27.1	Very low	26.4	Very low	244 Å²	244	145.6 Å²	145.6	92%	0.921	80%	0.795	S	S	*	*			trans	-129.5	127.9	156.8	-161.7	170.9	-173.8	174.3	1.5	110.4	G490	G490-R492 PolarHBondContact O-N 2.77Å
493	L	24.5	Very low	26.4	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	80%	0.798	S	S	*	*			trans	-76.1	122.9	-172.8	-64.5	163.4	0	0	0	110.7
494	S	25.4	Very low	26.6	Very low	103 Å²	103	142 Å²	142	72%	0.72	80%	0.795	S	S	*	*			trans	-100.8	119.8	160.4	-172.3	0	0	0	0	108.2
495	L	25.6	Very low	26.8	Very low	167 Å²	167	139.9 Å²	139.9	87%	0.874	80%	0.799	S	S	*	*			trans	-97.9	104.6	177.4	-76.2	172.6	0	0	0	109.7
496	T	35.1	Very low	26.7	Very low	127 Å²	127	138.7 Å²	138.7	78%	0.779	81%	0.806	S	S	*	*			trans	-134.8	124.4	170.8	53.4	0	0	0	0	110.6
497	S	31.3	Very low	26.6	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	81%	0.812	S	S	*	*			trans	-159.6	151.6	165.4	59.8	0	0	0	0	109.6
498	G	25.6	Very low	26.7	Very low	62 Å²	62	137.3 Å²	137.3	64%	0.639	81%	0.811	S	S	*	*			cis	-113.2	159.7	-12.3	0	0	0	0	0	111.6
499	L	30.1	Very low	26.8	Very low	169 Å²	169	138.8 Å²	138.8	89%	0.885	82%	0.816	S	S	*	*				65.8	128.5	67.1	-62.1	169.4	0	0	0	111.5
500	I	29.7	Very low	26.8	Very low	159 Å²	159	136.6 Å²	136.6	82%	0.815	82%	0.818	S	S	*	*			cis	-146.6	150.8	22	-60	172.6	0	0	0	109.2
501	G	24.2	Very low	26.9	Very low	65 Å²	65	141.5 Å²	141.5	67%	0.67	82%	0.82	S	S	*	*			cis	120.8	97.3	-12.2	0	0	0	0	0	117.4
502	I	28.2	Very low	26.9	Very low	167 Å²	167	135.6 Å²	135.6	86%	0.856	81%	0.811	S	S	*	*			trans	-140.8	134.9	166.3	-95.8	152.3	0	0	0	113.5
503	L	25.4	Very low	27.3	Very low	163 Å²	163	130.5 Å²	130.5	85%	0.853	81%	0.809	S	S	*	*			trans	-22.6	132.1	173.4	-53.3	168.5	0	0	0	121.9
504	T	25.9	Very low	28	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	80%	0.802	S	S	*	*			trans	-150.1	154.6	133.6	26.2	0	0	0	0	109.8
505	P	25.9	Very low	28.6	Very low	124 Å²	124	130.6 Å²	130.6	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.1	153.1	-169.5	34	-36.1	0	0	0	114.6
506	S	22.4	Very low	30	Very low	124 Å²	124	125 Å²	125	87%	0.867	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.8	133.3	178.6	-48.4	0	0	0	0	113.1
507	S	25.2	Very low	31.2	Very low	125 Å²	125	120 Å²	120	87%	0.874	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-100.4	154.8	159.6	-66.8	0	0	0	0	110.2
508	S	25.8	Very low	33.4	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-92.2	149.9	-166.8	52.3	0	0	0	0	115.1
509	S	26.5	Very low	36.1	Very low	125 Å²	125	118.4 Å²	118.4	87%	0.874	73%	0.73	S	S	*	*			trans	69.7	148	-179.4	78	0	0	0	0	115.2
510	S	26.4	Very low	38.7	Very low	114 Å²	114	114 Å²	114	80%	0.797	71%	0.707	S	S	*	*			cis	-123.8	165.4	2.6	55.7	0	0	0	0	112.3
511	Q	26.2	Very low	41.3	Very low	181 Å²	181	106.9 Å²	106.9	85%	0.846	67%	0.671	S	S	*	*			trans	-85	145.2	169.2	-73.5	-175.3	-26.1	0	0	110.5
512	P	28.6	Very low	44.2	Very low	99 Å²	99	110 Å²	110	64%	0.643	67%	0.671	S	S	*	*			trans	-73.4	140.8	174.2	30.6	-34.4	0	0	0	111.6	T514	P512-T514 HydrophobicContact CB-CG2 4.48Å; P512-T514 PolarHBondContact O-N 3.35Å
513	P	35.5	Very low	46.8	Very low	137 Å²	137	105.2 Å²	105.2	89%	0.89	64%	0.642	S	S	*	*			trans	-85.2	68.1	-174	35.1	-36.9	0	0	0	113
514	T	38.7	Very low	49.6	Very low	113 Å²	113	102.5 Å²	102.5	69%	0.693	63%	0.628	S	S	*	*			trans	-103.4	90.8	-176.4	57	0	0	0	0	112.8	P512	P512-T514 HydrophobicContact CB-CG2 4.48Å; P512-T514 PolarHBondContact O-N 3.35Å
515	N	38.3	Very low	52.4	Low	152 Å²	152	101.7 Å²	101.7	81%	0.813	61%	0.61	S	S	*	*	S	Bend	trans	-173.9	-11.8	156.7	-102.8	-16	0	0	0	114.5
516	G	55.5	Low	55.5	Low	51 Å²	51	96.4 Å²	96.4	53%	0.526	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-64.6	-48.6	-173.6	0	0	0	0	0	115	K518 C519	G516-K518 PolarHBondContact O-N 2.83Å; G516-C519 WeakPolarHBondContact O-CB 3.25Å; G516-C519 PolarHBondContact O-N 3.26Å
517	A	60.3	Low	58.9	Low	22 Å²	22	90.5 Å²	90.5	18%	0.182	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-77.3	16.9	-167.6	0	0	0	0	0	116.1	R538 V541	A517-R538 WeakPolarHBondContact O-CD 3.43Å; A517-R538 PolarHBondContact O-NH1 3.03Å; A517-V541 HydrophobicContact CB-CG1 4.32Å; A517-V541 HydrophobicContact CB-CG2 3.65Å
518	K	77.2	Confident	62.2	Low	73 Å²	73	84.5 Å²	84.5	32%	0.317	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-123.9	10.4	163	-79.6	-161.5	175.4	-162	0	112.3	G516 Y545 D550 E551	G516-K518 PolarHBondContact O-N 2.83Å; K518-Y545 HydrophobicContact CD-CE1 4.26Å; K518-Y545 HydrophobicContact CG-CE1 4.26Å; K518-D550 WeakPolarHBondContact CE-O 3.39Å; K518-D550 WeakPolarHBondContact CE-OD2 3.47Å; K518-D550 PolarHBondContact NZ-O 2.94Å; K518-D550 IonicContact NZ-OD2 2.73Å; K518-D550 PolarHBondContact NZ-OD2 2.95Å; K518-E551 IonicContact NZ-OE1 3.5Å; K518-E551 PolarHBondContact NZ-OE1 3.23Å
519	C	82	Confident	65.5	Low	75 Å²	75	79.3 Å²	79.3	51%	0.507	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.3	141.1	173.3	-155.8	0	0	0	0	109.3	G516	G516-C519 WeakPolarHBondContact O-CB 3.25Å; G516-C519 PolarHBondContact O-N 3.26Å
520	I	84.2	Confident	68.7	Low	77 Å²	77	73.5 Å²	73.5	40%	0.395	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-85.9	121.1	171.7	-69.5	167.9	0	0	0	105.6	F290 Q294	F290-I520 HydrophobicContact CE2-CG2 4.21Å; Q294-I520 HydrophobicContact CG-CG2 4.27Å
521	P	85.3	Confident	72	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.065	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-60.4	158.2	179.2	-18.9	30.1	0	0	0	111.4	Q530 E533 F534	P521-Q530 HydrophobicContact CB-CG 4.03Å; P521-Q530 WeakPolarHBondContact O-CG 3.35Å; P521-Q530 PolarHBondContact O-NE2 2.98Å; P521-E533 HydrophobicContact CB-CB 3.96Å; P521-E533 VanDerWaalsContact CB-OE2 3.26Å; P521-E533 WeakPolarHBondContact CB-OE2 3.24Å; P521-E533 HydrophobicContact CG-CB 3.9Å; P521-F534 HydrophobicContact CG-CB 3.91Å
522	I	83.9	Confident	75.2	Confident	131 Å²	131	59.6 Å²	59.6	67%	0.672	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-73	138.9	-179.1	-57.8	-179.8	0	0	0	108.3	D524	I522-D524 VanDerWaalsContact C-N 3.26Å; I522-D524 HydrophobicContact CG2-CB 4.03Å; I522-D524 PolarHBondContact O-N 2.81Å
523	R	83.4	Confident	78.3	Confident	65 Å²	65	56.6 Å²	56.6	25%	0.245	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	48.9	178.9	-162.3	179.9	159.8	160.3	-0.7	111	Q294 Q530	Q294-R523 PolarHBondContact O-NH1 2.88Å; R523-Q530 HydrophobicContact CB-CG 4.35Å
524	D	83.9	Confident	81	Confident	107 Å²	107	50.8 Å²	50.8	57%	0.572	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-31.2	175.6	62.9	-36.9	0	0	0	111.9	I522	I522-D524 VanDerWaalsContact C-N 3.26Å; I522-D524 HydrophobicContact CG2-CB 4.03Å; I522-D524 PolarHBondContact O-N 2.81Å
525	R	85.1	Confident	83.5	Confident	122 Å²	122	45.4 Å²	45.4	46%	0.46	25%	0.245	S	C	.	.	S	Bend	trans	-102.6	20.9	-175.1	-63	156.7	-177.1	-141.2	-7.5	114.7	I203 V529	I203-R525 HydrophobicContact CD1-CB 4.21Å; I203-R525 HydrophobicContact CD1-CG 4.25Å; R525-V529 HydrophobicContact CB-CB 3.94Å; R525-V529 HydrophobicContact CB-CG1 3.67Å; R525-V529 HydrophobicContact CB-CG2 4.21Å; R525-V529 WeakPolarHBondContact O-CB 3.39Å; R525-V529 VanDerWaalsContact O-CG2 3.24Å; R525-V529 WeakPolarHBondContact O-CG2 3.4Å
526	G	91.5	Very high	85.9	Confident	12 Å²	12	41.3 Å²	41.3	12%	0.124	22%	0.221	C	C	.	.			trans	90.6	174.6	-172.9	0	0	0	0	0	113.7	D196 Q530	D196-G526 WeakPolarHBondContact OD1-CA 3.49Å; G526-Q530 WeakPolarHBondContact O-CB 3.21Å; G526-Q530 PolarHBondContact O-N 3.31Å
527	F	94	Very high	87.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-82.3	-37.3	-178.7	174.2	-93.6	0	0	0	113.2	D196 L251 Y258 L259 V291 Q294 W295 Q530 T531	D196-F527 WeakPolarHBondContact OD2-CA 3.21Å; D196-F527 WeakPolarHBondContact OD2-CB 3.17Å; D196-F527 PolarHBondContact OD2-N 3.49Å; L251-F527 HydrophobicContact CD1-CE1 4.07Å; Y258-F527 WeakPolarHBondContact OH-CD1 3.49Å; L259-F527 HydrophobicContact CD2-CB 4.13Å; L259-F527 HydrophobicContact CD2-CD1 4.37Å; L259-F527 HydrophobicContact CD2-CD2 4.29Å; L259-F527 HydrophobicContact CD2-CG 4Å; V291-F527 HydrophobicContact CB-CZ 4.36Å; V291-F527 HydrophobicContact CG1-CZ 4.16Å; V291-F527 HydrophobicContact CG2-CZ 4.1Å; Q294-F527 HydrophobicContact CB-CD2 4.3Å; Q294-F527 HydrophobicContact CB-CE2 3.77Å; W295-F527 HydrophobicContact CE3-CD1 4.11Å; W295-F527 AromaticContact CE3-CE1 3.59Å; W295-F527 HydrophobicContact CE3-CE1 3.59Å; W295-F527 HydrophobicContact CE3-CE2 4.22Å; W295-F527 AromaticContact CE3-CZ 3.65Å; W295-F527 HydrophobicContact CE3-CZ 3.65Å; W295-F527 AromaticContact CZ3-CD1 3.99Å; W295-F527 HydrophobicContact CZ3-CD1 3.99Å; W295-F527 AromaticContact CZ3-CE1 3.62Å; W295-F527 HydrophobicContact CZ3-CE1 3.62Å; W295-F527 HydrophobicContact CZ3-CZ 4.18Å; F527-Q530 PolarHBondContact O-N 2.78Å; F527-T531 WeakPolarHBondContact O-CB 3.3Å; F527-T531 PolarHBondContact O-N 3.18Å; F527-T531 PolarHBondContact O-OG1 3.11Å
528	L	94.7	Very high	88.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-44.9	177.6	-61.1	-176.7	0	0	0	111.3	L193 D196 L197 V200 I222 L224 L251 Y258 T531 I532	L193-L528 HydrophobicContact CD1-CD1 4.37Å; D196-L528 HydrophobicContact CB-CB 4.23Å; D196-L528 HydrophobicContact CB-CD1 3.92Å; D196-L528 HydrophobicContact CB-CG 3.85Å; D196-L528 PolarHBondContact OD2-N 3.47Å; D196-L528 VanDerWaalsContact OD2-N 3.16Å; L197-L528 HydrophobicContact CD2-CD1 3.74Å; L197-L528 HydrophobicContact CG-CD1 4.11Å; V200-L528 HydrophobicContact CG2-CB 3.61Å; I222-L528 HydrophobicContact CD1-CD2 4.15Å; I222-L528 HydrophobicContact CG2-CD1 4.01Å; I222-L528 HydrophobicContact CG2-CD2 4.13Å; L224-L528 HydrophobicContact CD1-CD2 4.33Å; L224-L528 HydrophobicContact CD2-CB 4.12Å; L224-L528 HydrophobicContact CD2-CD1 4.39Å; L224-L528 HydrophobicContact CD2-CD2 4.27Å; L224-L528 HydrophobicContact CD2-CG 4.48Å; L251-L528 HydrophobicContact CD1-CD2 3.73Å; Y258-L528 WeakPolarHBondContact OH-CD2 3.4Å; Y258-L528 WeakPolarHBondContact OH-CG 3.34Å; L528-T531 WeakPolarHBondContact O-CA 3.28Å; L528-T531 WeakPolarHBondContact O-CB 3.22Å; L528-T531 PolarHBondContact O-N 2.9Å; L528-T531 VanDerWaalsContact O-N 3.08Å; L528-I532 PolarHBondContact O-N 2.8Å
529	V	94	Very high	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-48.6	173.7	178.2	0	0	0	0	111.2	A199 V200 I203 Y204 R525 T531 I532 E533	A199-V529 HydrophobicContact CB-CG2 3.92Å; V200-V529 HydrophobicContact CG2-CG2 3.68Å; I203-V529 HydrophobicContact CD1-CG1 3.89Å; I203-V529 HydrophobicContact CD1-CG2 3.95Å; Y204-V529 HydrophobicContact CE2-CG1 4.35Å; R525-V529 HydrophobicContact CB-CB 3.94Å; R525-V529 HydrophobicContact CB-CG1 3.67Å; R525-V529 HydrophobicContact CB-CG2 4.21Å; R525-V529 WeakPolarHBondContact O-CB 3.39Å; R525-V529 VanDerWaalsContact O-CG2 3.24Å; R525-V529 WeakPolarHBondContact O-CG2 3.4Å; V529-T531 PolarHBondContact O-N 2.79Å; V529-T531 VanDerWaalsContact O-N 3.09Å; V529-I532 PolarHBondContact O-N 2.73Å; V529-E533 HydrophobicContact CG1-CG 4.3Å; V529-E533 PolarHBondContact O-N 2.97Å
530	Q	94.6	Very high	89.1	Confident	3 Å²	3	37.2 Å²	37.2	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-28.2	175.4	-160	-158.9	8.5	0	0	112.8	F290 P521 R523 G526 F527 F534	F290-Q530 HydrophobicContact CZ-CG 4.04Å; F290-Q530 WeakPolarHBondContact CZ-O 3.24Å; P521-Q530 HydrophobicContact CB-CG 4.03Å; P521-Q530 WeakPolarHBondContact O-CG 3.35Å; P521-Q530 PolarHBondContact O-NE2 2.98Å; R523-Q530 HydrophobicContact CB-CG 4.35Å; G526-Q530 WeakPolarHBondContact O-CB 3.21Å; G526-Q530 PolarHBondContact O-N 3.31Å; F527-Q530 PolarHBondContact O-N 2.78Å; Q530-F534 WeakPolarHBondContact O-CB 3.26Å; Q530-F534 PolarHBondContact O-N 2.86Å
531	T	94.4	Very high	88.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-79	-39.2	177.9	-56.4	0	0	0	0	111.9	L224 M287 F290 V291 F527 L528 V529 A535	L224-T531 HydrophobicContact CD1-CG2 3.86Å; M287-T531 HydrophobicContact CE-CG2 3.5Å; M287-T531 WeakPolarHBondContact CE-O 3.4Å; F290-T531 HydrophobicContact CE1-CG2 4.43Å; V291-T531 HydrophobicContact CG2-CG2 4.33Å; F527-T531 WeakPolarHBondContact O-CB 3.3Å; F527-T531 PolarHBondContact O-N 3.18Å; F527-T531 PolarHBondContact O-OG1 3.11Å; L528-T531 WeakPolarHBondContact O-CA 3.28Å; L528-T531 WeakPolarHBondContact O-CB 3.22Å; L528-T531 PolarHBondContact O-N 2.9Å; L528-T531 VanDerWaalsContact O-N 3.08Å; V529-T531 PolarHBondContact O-N 2.79Å; V529-T531 VanDerWaalsContact O-N 3.09Å; T531-A535 PolarHBondContact O-N 3.43Å; T531-A535 VanDerWaalsContact O-N 3.13Å
532	I	94	Very high	88.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-52.2	173	-61.4	177.7	0	0	0	110	V200 Y204 L224 I226 L528 V529 F534 A535 E536	V200-I532 HydrophobicContact CB-CD1 4.44Å; V200-I532 HydrophobicContact CG1-CD1 3.56Å; V200-I532 HydrophobicContact CG2-CD1 3.98Å; Y204-I532 HydrophobicContact CD1-CG2 4.2Å; Y204-I532 HydrophobicContact CD2-CD1 3.97Å; Y204-I532 HydrophobicContact CD2-CG2 4.3Å; Y204-I532 HydrophobicContact CE1-CG2 3.61Å; Y204-I532 HydrophobicContact CE2-CB 4.03Å; Y204-I532 HydrophobicContact CE2-CD1 4.12Å; Y204-I532 HydrophobicContact CE2-CG2 3.73Å; Y204-I532 HydrophobicContact CG-CD1 4.48Å; Y204-I532 WeakPolarHBondContact OH-CG2 3.25Å; L224-I532 HydrophobicContact CB-CD1 4.48Å; L224-I532 HydrophobicContact CB-CG1 4.22Å; L224-I532 HydrophobicContact CD1-CG1 4.21Å; L224-I532 HydrophobicContact CD2-CD1 4.28Å; L224-I532 HydrophobicContact CD2-CG1 4.47Å; I226-I532 HydrophobicContact CD1-CB 4.06Å; I226-I532 HydrophobicContact CD1-CG1 3.86Å; I226-I532 HydrophobicContact CD1-CG2 3.78Å; L528-I532 PolarHBondContact O-N 2.8Å; V529-I532 PolarHBondContact O-N 2.73Å; I532-F534 PolarHBondContact O-N 2.86Å; I532-F534 VanDerWaalsContact O-N 3.13Å; I532-A535 WeakPolarHBondContact O-CA 3.44Å; I532-A535 WeakPolarHBondContact O-CB 3.34Å; I532-A535 PolarHBondContact O-N 3.26Å; I532-E536 HydrophobicContact CG2-CG 4.24Å; I532-E536 WeakPolarHBondContact O-CG 3.45Å; I532-E536 PolarHBondContact O-N 3.01Å
533	E	92.8	Very high	87.9	Confident	36 Å²	36	28.1 Å²	28.1	17%	0.168	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-35.1	179.3	-70.9	-176.1	176.2	0	0	112.3	Y204 P521 V529 Q537	Y204-E533 WeakPolarHBondContact OH-CG 3.23Å; P521-E533 HydrophobicContact CB-CB 3.96Å; P521-E533 VanDerWaalsContact CB-OE2 3.26Å; P521-E533 WeakPolarHBondContact CB-OE2 3.24Å; P521-E533 HydrophobicContact CG-CB 3.9Å; V529-E533 HydrophobicContact CG1-CG 4.3Å; V529-E533 PolarHBondContact O-N 2.97Å; E533-Q537 WeakPolarHBondContact O-CB 3.42Å; E533-Q537 WeakPolarHBondContact O-CG 3.39Å; E533-Q537 PolarHBondContact O-N 3.37Å; E533-Q537 VanDerWaalsContact O-N 3.09Å; E533-Q537 PolarHBondContact O-NE2 3.03Å
534	F	93.3	Very high	87.6	Confident	15 Å²	15	28.3 Å²	28.3	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-72.4	-39.4	175.5	-176	-107.8	0	0	0	112.4	I286 M287 F290 P521 Q530 I532 Q537 R538	I286-F534 HydrophobicContact CG2-CE1 3.68Å; I286-F534 HydrophobicContact CG2-CZ 4.09Å; M287-F534 HydrophobicContact CE-CD1 4.22Å; M287-F534 HydrophobicContact SD-CD1 3.84Å; M287-F534 HydrophobicContact SD-CE1 4.24Å; F290-F534 HydrophobicContact CB-CD1 3.7Å; F290-F534 HydrophobicContact CB-CE1 3.39Å; F290-F534 HydrophobicContact CB-CZ 4.05Å; F290-F534 AromaticContact CD1-CD1 3.93Å; F290-F534 HydrophobicContact CD1-CD1 3.93Å; F290-F534 HydrophobicContact CD1-CG 4.37Å; F290-F534 HydrophobicContact CD2-CB 4.11Å; F290-F534 AromaticContact CD2-CD1 3.46Å; F290-F534 HydrophobicContact CD2-CD1 3.46Å; F290-F534 VanDerWaalsContact CD2-CD1 3.46Å; F290-F534 AromaticContact CD2-CD2 3.72Å; F290-F534 HydrophobicContact CD2-CD2 3.72Å; F290-F534 AromaticContact CD2-CE1 3.68Å; F290-F534 HydrophobicContact CD2-CE1 3.68Å; F290-F534 AromaticContact CD2-CE2 3.92Å; F290-F534 HydrophobicContact CD2-CE2 3.92Å; F290-F534 AromaticContact CD2-CG 3.47Å; F290-F534 HydrophobicContact CD2-CG 3.47Å; F290-F534 VanDerWaalsContact CD2-CG 3.47Å; F290-F534 AromaticContact CD2-CZ 3.9Å; F290-F534 HydrophobicContact CD2-CZ 3.9Å; F290-F534 HydrophobicContact CE1-CB 4.22Å; F290-F534 HydrophobicContact CE1-CD1 4.45Å; F290-F534 HydrophobicContact CE1-CG 4.49Å; F290-F534 HydrophobicContact CE2-CB 3.74Å; F290-F534 HydrophobicContact CE2-CD1 4.01Å; F290-F534 AromaticContact CE2-CD2 3.84Å; F290-F534 HydrophobicContact CE2-CD2 3.84Å; F290-F534 HydrophobicContact CE2-CE2 4.44Å; F290-F534 AromaticContact CE2-CG 3.58Å; F290-F534 HydrophobicContact CE2-CG 3.58Å; F290-F534 HydrophobicContact CG-CB 4.49Å; F290-F534 AromaticContact CG-CD1 3.41Å; F290-F534 HydrophobicContact CG-CD1 3.41Å; F290-F534 VanDerWaalsContact CG-CD1 3.41Å; F290-F534 AromaticContact CG-CE1 3.62Å; F290-F534 HydrophobicContact CG-CE1 3.62Å; F290-F534 AromaticContact CG-CG 3.89Å; F290-F534 HydrophobicContact CG-CG 3.89Å; F290-F534 HydrophobicContact CG-CZ 4.26Å; F290-F534 HydrophobicContact CZ-CB 3.81Å; F290-F534 HydrophobicContact CZ-CD1 4.48Å; F290-F534 HydrophobicContact CZ-CG 4.11Å; P521-F534 HydrophobicContact CG-CB 3.91Å; Q530-F534 WeakPolarHBondContact O-CB 3.26Å; Q530-F534 PolarHBondContact O-N 2.86Å; I532-F534 PolarHBondContact O-N 2.86Å; I532-F534 VanDerWaalsContact O-N 3.13Å; F534-Q537 PolarHBondContact O-N 3.34Å; F534-R538 HydrophobicContact CD1-CG 4.13Å; F534-R538 HydrophobicContact CD2-CG 4.23Å; F534-R538 HydrophobicContact CE1-CG 3.71Å; F534-R538 HydrophobicContact CE2-CG 3.84Å; F534-R538 HydrophobicContact CG-CG 4.39Å; F534-R538 HydrophobicContact CZ-CG 3.56Å; F534-R538 VanDerWaalsContact O-CG 3.3Å; F534-R538 WeakPolarHBondContact O-CG 3.32Å; F534-R538 PolarHBondContact O-N 3.08Å
535	A	91.6	Very high	87.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-47.9	174.2	0	0	0	0	0	111.1	I226 M287 T531 I532 Q537 R538 I539	I226-A535 HydrophobicContact CD1-CB 3.92Å; I226-A535 HydrophobicContact CG1-CB 4.04Å; I226-A535 HydrophobicContact CG2-CB 4.31Å; M287-A535 HydrophobicContact CE-CB 3.93Å; M287-A535 HydrophobicContact SD-CB 4.05Å; T531-A535 PolarHBondContact O-N 3.43Å; T531-A535 VanDerWaalsContact O-N 3.13Å; I532-A535 WeakPolarHBondContact O-CA 3.44Å; I532-A535 WeakPolarHBondContact O-CB 3.34Å; I532-A535 PolarHBondContact O-N 3.26Å; A535-Q537 VanDerWaalsContact C-N 3.28Å; A535-Q537 PolarHBondContact O-N 2.69Å; A535-R538 PolarHBondContact O-N 3.11Å; A535-R538 VanDerWaalsContact O-N 3.1Å; A535-I539 HydrophobicContact CB-CD1 4.29Å; A535-I539 WeakPolarHBondContact O-CB 3.49Å; A535-I539 WeakPolarHBondContact O-CD1 3.42Å; A535-I539 VanDerWaalsContact O-CG1 3.25Å; A535-I539 WeakPolarHBondContact O-CG1 3.47Å; A535-I539 PolarHBondContact O-N 2.58Å
536	E	88.8	Confident	87.1	Confident	66 Å²	66	18.4 Å²	18.4	31%	0.308	10%	0.095	S	C	.	.	H	α-helix	trans	-59	-36.1	176.3	-66.6	-178.9	119.7	0	0	112.5	Y204 I226 I532 P540	Y204-E536 WeakPolarHBondContact CE1-OE1 3.45Å; Y204-E536 WeakPolarHBondContact CE1-OE2 3.48Å; Y204-E536 PolarHBondContact OH-OE2 2.86Å; I226-E536 HydrophobicContact CG2-CG 4.05Å; I532-E536 HydrophobicContact CG2-CG 4.24Å; I532-E536 WeakPolarHBondContact O-CG 3.45Å; I532-E536 PolarHBondContact O-N 3.01Å; E536-P540 WeakPolarHBondContact O-CD 3.14Å; E536-P540 WeakPolarHBondContact O-CG 3.39Å
537	Q	87.1	Confident	86.4	Confident	72 Å²	72	18.4 Å²	18.4	34%	0.336	9%	0.093	S	C	.	.	H	α-helix	trans	-75.4	-28.5	175	-74.1	172.5	43.6	0	0	114	E533 F534 A535	E533-Q537 WeakPolarHBondContact O-CB 3.42Å; E533-Q537 WeakPolarHBondContact O-CG 3.39Å; E533-Q537 PolarHBondContact O-N 3.37Å; E533-Q537 VanDerWaalsContact O-N 3.09Å; E533-Q537 PolarHBondContact O-NE2 3.03Å; F534-Q537 PolarHBondContact O-N 3.34Å; A535-Q537 VanDerWaalsContact C-N 3.28Å; A535-Q537 PolarHBondContact O-N 2.69Å
538	R	88.1	Confident	85.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-85.8	-44.7	-179.9	-68.1	-57.9	-64.8	136.2	0.3	112.8	I286 A517 F534 A535 P540 V541 L542 Y545 D550	I286-R538 HydrophobicContact CG2-CB 4.45Å; I286-R538 HydrophobicContact CG2-CG 3.93Å; A517-R538 WeakPolarHBondContact O-CD 3.43Å; A517-R538 PolarHBondContact O-NH1 3.03Å; F534-R538 HydrophobicContact CD1-CG 4.13Å; F534-R538 HydrophobicContact CD2-CG 4.23Å; F534-R538 HydrophobicContact CE1-CG 3.71Å; F534-R538 HydrophobicContact CE2-CG 3.84Å; F534-R538 HydrophobicContact CG-CG 4.39Å; F534-R538 HydrophobicContact CZ-CG 3.56Å; F534-R538 VanDerWaalsContact O-CG 3.3Å; F534-R538 WeakPolarHBondContact O-CG 3.32Å; F534-R538 PolarHBondContact O-N 3.08Å; A535-R538 PolarHBondContact O-N 3.11Å; A535-R538 VanDerWaalsContact O-N 3.1Å; R538-P540 VanDerWaalsContact C-CD 3.49Å; R538-V541 VanDerWaalsContact O-CG2 3.26Å; R538-V541 WeakPolarHBondContact O-CG2 3.48Å; R538-V541 PolarHBondContact O-N 2.85Å; R538-V541 VanDerWaalsContact O-N 3.09Å; R538-L542 HydrophobicContact CB-CD2 4.25Å; R538-L542 WeakPolarHBondContact O-CG 3.32Å; R538-L542 PolarHBondContact O-N 3.38Å; R538-Y545 VanDerWaalsContact NH2-CG 3.33Å; R538-D550 IonicContact CZ-OD1 2.76Å; R538-D550 IonicContact NH2-OD1 3.56Å; R538-D550 PolarHBondContact NH2-OD1 3.28Å; R538-D550 IonicContact NH2-OD2 3.54Å
539	I	86.2	Confident	85.1	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-51.3	-48.3	-172.1	-71.4	162.2	0	0	0	113.6	I226 V228 F230 L231 W239 I247 L283 A535 V541 L542	I226-I539 HydrophobicContact CG2-CD1 3.85Å; V228-I539 HydrophobicContact CG1-CD1 4.4Å; V228-I539 HydrophobicContact CG1-CG2 4.39Å; F230-I539 HydrophobicContact CE2-CG2 4.29Å; F230-I539 HydrophobicContact CZ-CB 4.23Å; F230-I539 HydrophobicContact CZ-CG2 3.74Å; L231-I539 HydrophobicContact CD1-CG2 4.35Å; L231-I539 HydrophobicContact CD2-CG2 4.19Å; W239-I539 WeakPolarHBondContact CH2-O 3.43Å; W239-I539 HydrophobicContact CZ3-CG2 4.43Å; W239-I539 WeakPolarHBondContact CZ3-O 3.44Å; I247-I539 HydrophobicContact CD1-CD1 4.34Å; L283-I539 HydrophobicContact CD1-CG1 4.21Å; L283-I539 HydrophobicContact CD2-CD1 4.08Å; L283-I539 HydrophobicContact CD2-CG1 3.88Å; A535-I539 HydrophobicContact CB-CD1 4.29Å; A535-I539 WeakPolarHBondContact O-CB 3.49Å; A535-I539 WeakPolarHBondContact O-CD1 3.42Å; A535-I539 VanDerWaalsContact O-CG1 3.25Å; A535-I539 WeakPolarHBondContact O-CG1 3.47Å; A535-I539 PolarHBondContact O-N 2.58Å; I539-V541 PolarHBondContact O-N 2.97Å; I539-L542 HydrophobicContact CG1-CD1 4.34Å; I539-L542 PolarHBondContact O-N 2.87Å
540	P	80.1	Confident	84.6	Confident	60 Å²	60	23.2 Å²	23.2	39%	0.39	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-62.1	-18.2	-177.6	-19.1	28.3	0	0	0	114.9	F230 E536 R538	F230-P540 HydrophobicContact CE2-CB 4.24Å; F230-P540 HydrophobicContact CE2-CG 3.68Å; F230-P540 HydrophobicContact CZ-CG 4Å; E536-P540 WeakPolarHBondContact O-CD 3.14Å; E536-P540 WeakPolarHBondContact O-CG 3.39Å; R538-P540 VanDerWaalsContact C-CD 3.49Å
541	V	78.2	Confident	84.1	Confident	22 Å²	22	26.9 Å²	26.9	13%	0.133	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-123	7.8	-172.1	-59.5	0	0	0	0	113.8	A517 R538 I539 N543 E544 Y545	A517-V541 HydrophobicContact CB-CG1 4.32Å; A517-V541 HydrophobicContact CB-CG2 3.65Å; R538-V541 VanDerWaalsContact O-CG2 3.26Å; R538-V541 WeakPolarHBondContact O-CG2 3.48Å; R538-V541 PolarHBondContact O-N 2.85Å; R538-V541 VanDerWaalsContact O-N 3.09Å; I539-V541 PolarHBondContact O-N 2.97Å; V541-N543 PolarHBondContact O-N 3.39Å; V541-E544 HydrophobicContact CB-CB 4.42Å; V541-E544 HydrophobicContact CB-CG 4.14Å; V541-E544 VanDerWaalsContact O-CB 3.29Å; V541-E544 WeakPolarHBondContact O-CB 3.46Å; V541-E544 PolarHBondContact O-N 2.89Å; V541-Y545 HydrophobicContact CB-CE2 4.18Å; V541-Y545 HydrophobicContact CG2-CD2 4.29Å; V541-Y545 HydrophobicContact CG2-CE2 3.8Å; V541-Y545 VanDerWaalsContact O-CD2 3.3Å; V541-Y545 WeakPolarHBondContact O-CD2 3.06Å
542	L	79.1	Confident	83.3	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-53	-33.2	-174.8	-71.7	171.3	0	0	0	113.1	L279 Q282 L283 I286 R538 I539 E544 Y545	L279-L542 HydrophobicContact CD1-CB 4.41Å; L279-L542 HydrophobicContact CD1-CD1 3.81Å; L279-L542 HydrophobicContact CD2-CB 4.03Å; L279-L542 HydrophobicContact CD2-CD1 3.88Å; L279-L542 HydrophobicContact CG-CD1 4.44Å; Q282-L542 HydrophobicContact CG-CD2 4.45Å; Q282-L542 PolarHBondContact NE2-O 2.92Å; L283-L542 HydrophobicContact CB-CD1 4.4Å; L283-L542 HydrophobicContact CD1-CD1 4.35Å; I286-L542 HydrophobicContact CD1-CD2 3.41Å; I286-L542 VanDerWaalsContact CD1-CD2 3.41Å; R538-L542 HydrophobicContact CB-CD2 4.25Å; R538-L542 WeakPolarHBondContact O-CG 3.32Å; R538-L542 PolarHBondContact O-N 3.38Å; I539-L542 HydrophobicContact CG1-CD1 4.34Å; I539-L542 PolarHBondContact O-N 2.87Å; L542-E544 VanDerWaalsContact C-N 3.35Å; L542-E544 PolarHBondContact O-N 3.4Å; L542-Y545 PolarHBondContact O-N 3.14Å
543	N	72.1	Confident	82.1	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-74.2	-10.2	176.2	65.6	-63	0	0	0	115.9	W239 V541 Y545 M560 P714	W239-N543 HydrophobicContact CZ2-CB 3.95Å; V541-N543 PolarHBondContact O-N 3.39Å; N543-Y545 VanDerWaalsContact C-N 3.31Å; N543-M560 VanDerWaalsContact CB-O 3.25Å; N543-M560 WeakPolarHBondContact CB-O 3.3Å; N543-M560 PolarHBondContact ND2-O 2.9Å; N543-M560 PolarHBondContact O-N 3.48Å; N543-P714 WeakPolarHBondContact ND2-CG 3.35Å
544	E	75.5	Confident	80.5	Confident	69 Å²	69	35.8 Å²	35.8	32%	0.322	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-78.4	-17.6	166.9	-64.7	-177.3	177	0	0	111.9	V541 L542 P552 H553 P559	V541-E544 HydrophobicContact CB-CB 4.42Å; V541-E544 HydrophobicContact CB-CG 4.14Å; V541-E544 VanDerWaalsContact O-CB 3.29Å; V541-E544 WeakPolarHBondContact O-CB 3.46Å; V541-E544 PolarHBondContact O-N 2.89Å; L542-E544 VanDerWaalsContact C-N 3.35Å; L542-E544 PolarHBondContact O-N 3.4Å; E544-P552 WeakPolarHBondContact O-CA 3.45Å; E544-H553 WeakPolarHBondContact O-CB 3.06Å; E544-H553 PolarHBondContact O-CD2 2.76Å; E544-H553 PolarHBondContact O-N 3.31Å; E544-P559 HydrophobicContact CB-CB 4.13Å; E544-P559 HydrophobicContact CG-CB 3.52Å; E544-P559 HydrophobicContact CG-CG 3.87Å
545	Y	80	Confident	78.6	Confident	22 Å²	22	36.4 Å²	36.4	9%	0.086	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-120.6	145.7	-170.3	-61.5	-90.3	0	0	0	112.6	Q282 K518 R538 V541 L542 N543 V547 D550 P552	Q282-Y545 PolarHBondContact NE2-O 3.46Å; K518-Y545 HydrophobicContact CD-CE1 4.26Å; K518-Y545 HydrophobicContact CG-CE1 4.26Å; R538-Y545 VanDerWaalsContact NH2-CG 3.33Å; V541-Y545 HydrophobicContact CB-CE2 4.18Å; V541-Y545 HydrophobicContact CG2-CD2 4.29Å; V541-Y545 HydrophobicContact CG2-CE2 3.8Å; V541-Y545 VanDerWaalsContact O-CD2 3.3Å; V541-Y545 WeakPolarHBondContact O-CD2 3.06Å; L542-Y545 PolarHBondContact O-N 3.14Å; N543-Y545 VanDerWaalsContact C-N 3.31Å; Y545-V547 PolarHBondContact O-N 2.87Å; Y545-D550 WeakPolarHBondContact CD1-O 3.32Å; Y545-P552 HydrophobicContact CD1-CB 3.9Å; Y545-P552 HydrophobicContact CD1-CG 4.44Å; Y545-P552 HydrophobicContact CE1-CB 3.77Å; Y545-P552 HydrophobicContact CE1-CG 4.17Å
546	C	78.8	Confident	76	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-73.8	125.3	-176.8	167.7	0	0	0	0	113	V548 C549 D550 E551 T564 C566	C546-V548 PolarHBondContact O-N 3.09Å; C546-V548 PolarHBondContact SG-N 3.46Å; C546-C549 PolarHBondContact O-N 3.48Å; C546-C549 VanDerWaalsContact O-N 3.08Å; C546-D550 VanDerWaalsContact O-CA 3.32Å; C546-D550 WeakPolarHBondContact O-CA 3.13Å; C546-D550 PolarHBondContact O-N 2.99Å; C546-E551 WeakPolarHBondContact CB-O 3.2Å; C546-E551 PolarHBondContact N-O 2.95Å; C546-T564 VanDerWaalsContact CA-O 3.3Å; C546-T564 WeakPolarHBondContact CA-O 3.39Å; C546-C566 HydrophobicContact CB-CB 3.79Å; C546-C566 PolarHBondContact SG-N 3.48Å; C546-C566 PolarHBondContact SG-SG 2.99Å
547	V	77.1	Confident	73.8	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-34	179.9	-57.9	0	0	0	0	114.6	Q282 K285 Y545 P563 T564 V565 M581	Q282-V547 HydrophobicContact CB-CG1 4.38Å; Q282-V547 HydrophobicContact CG-CG1 4.37Å; K285-V547 PolarHBondContact NZ-O 2.9Å; Y545-V547 PolarHBondContact O-N 2.87Å; V547-P563 HydrophobicContact CG1-CB 3.42Å; V547-P563 VanDerWaalsContact CG1-CB 3.42Å; V547-T564 PolarHBondContact N-O 2.8Å; V547-V565 HydrophobicContact CG2-CG2 3.88Å; V547-M581 HydrophobicContact CB-CG 4.19Å; V547-M581 HydrophobicContact CG2-CB 4.23Å; V547-M581 HydrophobicContact CG2-CG 4.11Å
548	V	78.1	Confident	72	Confident	20 Å²	20	43.8 Å²	43.8	12%	0.121	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.9	-177.1	-174.6	0	0	0	0	113.7	K285 C546 V565 C571 A574 F575	K285-V548 VanDerWaalsContact NZ-C 3.32Å; K285-V548 PolarHBondContact NZ-O 2.88Å; C546-V548 PolarHBondContact O-N 3.09Å; C546-V548 PolarHBondContact SG-N 3.46Å; V548-V565 HydrophobicContact CG2-CG1 3.9Å; V548-V565 HydrophobicContact CG2-CG2 4.01Å; V548-C571 HydrophobicContact CB-CB 4.05Å; V548-C571 HydrophobicContact CG1-CB 4.18Å; V548-C571 HydrophobicContact CG2-CB 4.48Å; V548-A574 HydrophobicContact CG1-CB 3.83Å; V548-F575 HydrophobicContact CG2-CB 4.38Å
549	C	82.6	Confident	70.3	Confident	44 Å²	44	44.9 Å²	44.9	30%	0.297	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	1.9	-172.1	58.8	0	0	0	0	115	C546 E551 R568 C571	C546-C549 PolarHBondContact O-N 3.48Å; C546-C549 VanDerWaalsContact O-N 3.08Å; C549-E551 PolarHBondContact O-N 2.78Å; C549-R568 VanDerWaalsContact SG-CZ 3.58Å; C549-R568 PolarHBondContact SG-NH2 2.99Å; C549-R568 VanDerWaalsContact SG-NH2 3.37Å; C549-C571 PolarHBondContact SG-SG 2.99Å
550	D	84.6	Confident	69	Low	37 Å²	37	45 Å²	45	20%	0.198	25%	0.252	C	S	.	.			trans	54	15.9	-175.1	-172.2	58.8	0	0	0	114.3	I286 K518 R538 Y545 C546	I286-D550 WeakPolarHBondContact CD1-OD1 3.49Å; I286-D550 HydrophobicContact CG1-CB 4.45Å; I286-D550 WeakPolarHBondContact CG1-OD1 3.46Å; K518-D550 WeakPolarHBondContact CE-O 3.39Å; K518-D550 WeakPolarHBondContact CE-OD2 3.47Å; K518-D550 PolarHBondContact NZ-O 2.94Å; K518-D550 IonicContact NZ-OD2 2.73Å; K518-D550 PolarHBondContact NZ-OD2 2.95Å; R538-D550 IonicContact CZ-OD1 2.76Å; R538-D550 IonicContact NH2-OD1 3.56Å; R538-D550 PolarHBondContact NH2-OD1 3.28Å; R538-D550 IonicContact NH2-OD2 3.54Å; Y545-D550 WeakPolarHBondContact CD1-O 3.32Å; C546-D550 VanDerWaalsContact O-CA 3.32Å; C546-D550 WeakPolarHBondContact O-CA 3.13Å; C546-D550 PolarHBondContact O-N 2.99Å
551	E	83.5	Confident	68.1	Low	80 Å²	80	42.6 Å²	42.6	37%	0.374	24%	0.235	S	C	.	.			trans	-99.3	144.2	-175.9	-80.7	-68	102.1	0	0	111.8	K518 C546 C549 R568	K518-E551 IonicContact NZ-OE1 3.5Å; K518-E551 PolarHBondContact NZ-OE1 3.23Å; C546-E551 WeakPolarHBondContact CB-O 3.2Å; C546-E551 PolarHBondContact N-O 2.95Å; C549-E551 PolarHBondContact O-N 2.78Å; E551-R568 VanDerWaalsContact CB-NH1 3.29Å
552	P	77.1	Confident	67.2	Low	60 Å²	60	43.5 Å²	43.5	39%	0.39	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-65.1	146.9	-165	24.5	-33.5	0	0	0	113	E544 Y545 V554	E544-P552 WeakPolarHBondContact O-CA 3.45Å; Y545-P552 HydrophobicContact CD1-CB 3.9Å; Y545-P552 HydrophobicContact CD1-CG 4.44Å; Y545-P552 HydrophobicContact CE1-CB 3.77Å; Y545-P552 HydrophobicContact CE1-CG 4.17Å; P552-V554 PolarHBondContact O-N 2.97Å
553	H	69.4	Low	66.4	Low	22 Å²	22	44.4 Å²	44.4	10%	0.102	24%	0.242	C	C	.	.			trans	-78	115.2	179.6	-77	-65.5	0	0	0	111.7	E544 F555 T564	E544-H553 WeakPolarHBondContact O-CB 3.06Å; E544-H553 PolarHBondContact O-CD2 2.76Å; E544-H553 PolarHBondContact O-N 3.31Å; H553-F555 HydrophobicContact CB-CD2 3.56Å; H553-F555 HydrophobicContact CB-CE2 3.67Å; H553-F555 HydrophobicContact CB-CG 4.07Å; H553-F555 HydrophobicContact CB-CZ 4.28Å; H553-F555 AromaticContact CE1-CE2 3.72Å; H553-F555 AromaticContact CE1-CZ 3.78Å; H553-F555 AromaticContact CG-CD2 3.86Å; H553-F555 AromaticContact CG-CE2 3.41Å; H553-F555 VanDerWaalsContact CG-CE2 3.41Å; H553-F555 AromaticContact CG-CZ 3.92Å; H553-F555 AromaticContact ND1-CE2 3.17Å; H553-F555 WeakPolarHBondContact ND1-CE2 3.45Å; H553-F555 AromaticContact ND1-CZ 3.21Å; H553-F555 WeakPolarHBondContact ND1-CZ 3.25Å; H553-F555 PolarHBondContact O-N 3.02Å; H553-T564 PolarHBondContact NE2-O 3Å
554	V	59.1	Low	66.2	Low	144 Å²	144	45 Å²	45	87%	0.873	25%	0.246	S	C	*	.			trans	-80.2	40.9	176.6	-158.5	0	0	0	0	111.6	P552	P552-V554 PolarHBondContact O-N 2.97Å
555	F	53.4	Low	66	Low	28 Å²	28	43 Å²	43	12%	0.123	24%	0.238	C	C	.	.			trans	-83.6	130.8	-177.3	-61.9	-32.5	0	0	0	111.2	H553 N557 G558 M560 E567 R686	H553-F555 HydrophobicContact CB-CD2 3.56Å; H553-F555 HydrophobicContact CB-CE2 3.67Å; H553-F555 HydrophobicContact CB-CG 4.07Å; H553-F555 HydrophobicContact CB-CZ 4.28Å; H553-F555 AromaticContact CE1-CE2 3.72Å; H553-F555 AromaticContact CE1-CZ 3.78Å; H553-F555 AromaticContact CG-CD2 3.86Å; H553-F555 AromaticContact CG-CE2 3.41Å; H553-F555 VanDerWaalsContact CG-CE2 3.41Å; H553-F555 AromaticContact CG-CZ 3.92Å; H553-F555 AromaticContact ND1-CE2 3.17Å; H553-F555 WeakPolarHBondContact ND1-CE2 3.45Å; H553-F555 AromaticContact ND1-CZ 3.21Å; H553-F555 WeakPolarHBondContact ND1-CZ 3.25Å; H553-F555 PolarHBondContact O-N 3.02Å; F555-N557 PolarHBondContact O-N 2.88Å; F555-N557 VanDerWaalsContact O-N 3.1Å; F555-G558 PolarHBondContact O-N 2.7Å; F555-M560 HydrophobicContact CD2-CG 4.08Å; F555-M560 HydrophobicContact CD2-SD 4.15Å; F555-M560 HydrophobicContact CE2-CG 3.92Å; F555-M560 HydrophobicContact CE2-SD 3.47Å; F555-M560 WeakPolarHBondContact CE2-SD 3.47Å; F555-M560 HydrophobicContact CZ-SD 4.28Å; F555-E567 HydrophobicContact CE1-CG 4.4Å; F555-E567 WeakPolarHBondContact CE1-OE1 3.29Å; F555-R686 VanDerWaalsContact CD1-NH2 3.29Å; F555-R686 VanDerWaalsContact CZ-NH2 3.31Å
556	Q	37.8	Very low	65.5	Low	192 Å²	192	42.3 Å²	42.3	90%	0.897	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.2	-179.3	-66.7	178.6	-13.3	0	0	114.2
557	N	42.3	Very low	64.9	Low	68 Å²	68	48.4 Å²	48.4	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	19.5	-173.7	-56.2	-44.8	0	0	0	113	F555 P713 N747	F555-N557 PolarHBondContact O-N 2.88Å; F555-N557 VanDerWaalsContact O-N 3.1Å; N557-P713 WeakPolarHBondContact O-CG 3.14Å; N557-N747 WeakPolarHBondContact ND2-CB 3.48Å; N557-N747 PolarHBondContact ND2-OD1 2.88Å
558	G	50.1	Low	64.7	Low	33 Å²	33	52.7 Å²	52.7	34%	0.34	28%	0.28	S	S	.	.			trans	82.6	-176.4	-180	0	0	0	0	0	114.8	F555	F555-G558 PolarHBondContact O-N 2.7Å
559	P	50.7	Low	64.3	Low	24 Å²	24	56.7 Å²	56.7	16%	0.156	30%	0.297	C	S	.	.			trans	-77.6	165.8	-176.4	33.4	-36.6	0	0	0	112.8	E544 P713 A715	E544-P559 HydrophobicContact CB-CB 4.13Å; E544-P559 HydrophobicContact CG-CB 3.52Å; E544-P559 HydrophobicContact CG-CG 3.87Å; P559-P713 HydrophobicContact CG-CB 4.3Å; P559-P713 WeakPolarHBondContact O-CA 3.34Å; P559-P713 WeakPolarHBondContact O-CB 3.3Å; P559-P713 WeakPolarHBondContact O-CG 3.36Å; P559-A715 HydrophobicContact CG-CB 4.49Å
560	M	59.9	Low	64.1	Low	5 Å²	5	61.5 Å²	61.5	3%	0.025	32%	0.32	C	S	.	.			trans	-89.7	167.7	-168.8	-66.7	-164.9	45.9	0	0	112.9	N543 F555 R562 T564 R686 P714	N543-M560 VanDerWaalsContact CB-O 3.25Å; N543-M560 WeakPolarHBondContact CB-O 3.3Å; N543-M560 PolarHBondContact ND2-O 2.9Å; N543-M560 PolarHBondContact O-N 3.48Å; F555-M560 HydrophobicContact CD2-CG 4.08Å; F555-M560 HydrophobicContact CD2-SD 4.15Å; F555-M560 HydrophobicContact CE2-CG 3.92Å; F555-M560 HydrophobicContact CE2-SD 3.47Å; F555-M560 WeakPolarHBondContact CE2-SD 3.47Å; F555-M560 HydrophobicContact CZ-SD 4.28Å; M560-R562 WeakPolarHBondContact CB-O 3.44Å; M560-T564 HydrophobicContact CE-CG2 3.85Å; M560-T564 WeakPolarHBondContact CE-OG1 3.41Å; M560-T564 VanDerWaalsContact SD-CB 3.55Å; M560-T564 HydrophobicContact SD-CG2 3.48Å; M560-T564 WeakPolarHBondContact SD-CG2 3.33Å; M560-T564 PolarHBondContact SD-OG1 2.95Å; M560-R686 HydrophobicContact CE-CB 3.7Å; M560-R686 HydrophobicContact CE-CG 3.41Å; M560-R686 VanDerWaalsContact CE-CG 3.41Å; M560-R686 WeakPolarHBondContact SD-CD 3.37Å; M560-R686 HydrophobicContact SD-CG 3.96Å; M560-R686 PolarHBondContact SD-NE 3.31Å; M560-P714 WeakPolarHBondContact O-CD 3.36Å
561	L	60	Low	63.6	Low	9 Å²	9	60.1 Å²	60.1	5%	0.047	31%	0.313	C	S	.	.	S	Bend	trans	-86.6	-25.4	169	-175.1	57	0	0	0	112.1	I235 A238 W239 H688 L710 P714	I235-L561 HydrophobicContact CG1-CD1 4.06Å; A238-L561 HydrophobicContact CB-CD1 4.17Å; A238-L561 HydrophobicContact CB-CD2 4.17Å; A238-L561 HydrophobicContact CB-CG 3.83Å; W239-L561 VanDerWaalsContact CD1-O 3.31Å; W239-L561 PolarHBondContact NE1-O 3.1Å; L561-H688 HydrophobicContact CD2-CB 3.74Å; L561-L710 HydrophobicContact CD2-CB 3.87Å; L561-L710 HydrophobicContact CD2-CD1 4.49Å; L561-P714 HydrophobicContact CD1-CG 3.88Å
562	R	60.9	Low	62.8	Low	40 Å²	40	56.9 Å²	56.9	15%	0.151	30%	0.298	C	S	.	.	S	Bend	trans	-115.6	154.2	175.7	-86.7	-174.1	161.4	163.8	-8.3	112.7	A238 E240 M560 T564	A238-R562 PolarHBondContact O-NE 2.97Å; A238-R562 PolarHBondContact O-NH2 2.79Å; E240-R562 IonicContact OE1-NH2 2.76Å; E240-R562 PolarHBondContact OE1-NH2 2.99Å; M560-R562 WeakPolarHBondContact CB-O 3.44Å; R562-T564 PolarHBondContact O-N 2.74Å; R562-T564 PolarHBondContact O-OG1 2.87Å; R562-T564 VanDerWaalsContact O-OG1 3.13Å
563	P	61.3	Low	62.4	Low	21 Å²	21	56.3 Å²	56.3	14%	0.136	29%	0.29	C	S	.	.			trans	-56.2	135.5	174.3	-22.2	34.5	0	0	0	110.3	L279 V547	L279-P563 HydrophobicContact CD2-CB 4.21Å; L279-P563 HydrophobicContact CD2-CG 3.53Å; L279-P563 HydrophobicContact CG-CG 3.73Å; V547-P563 HydrophobicContact CG1-CB 3.42Å; V547-P563 VanDerWaalsContact CG1-CB 3.42Å
564	T	67.4	Low	62.4	Low	16 Å²	16	56 Å²	56	10%	0.098	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-146.3	158.4	-171.5	-65.2	0	0	0	0	114	C546 V547 H553 M560 R562	C546-T564 VanDerWaalsContact CA-O 3.3Å; C546-T564 WeakPolarHBondContact CA-O 3.39Å; V547-T564 PolarHBondContact N-O 2.8Å; H553-T564 PolarHBondContact NE2-O 3Å; M560-T564 HydrophobicContact CE-CG2 3.85Å; M560-T564 WeakPolarHBondContact CE-OG1 3.41Å; M560-T564 VanDerWaalsContact SD-CB 3.55Å; M560-T564 HydrophobicContact SD-CG2 3.48Å; M560-T564 WeakPolarHBondContact SD-CG2 3.33Å; M560-T564 PolarHBondContact SD-OG1 2.95Å; R562-T564 PolarHBondContact O-N 2.74Å; R562-T564 PolarHBondContact O-OG1 2.87Å; R562-T564 VanDerWaalsContact O-OG1 3.13Å
565	V	71.5	Confident	62.8	Low	26 Å²	26	49.8 Å²	49.8	16%	0.158	25%	0.252	C	S	.	.			trans	-91.4	127.5	176.1	-171	0	0	0	0	110.2	V547 V548 C571 F575	V547-V565 HydrophobicContact CG2-CG2 3.88Å; V548-V565 HydrophobicContact CG2-CG1 3.9Å; V548-V565 HydrophobicContact CG2-CG2 4.01Å; V565-C571 HydrophobicContact CG1-CB 3.79Å; V565-C571 WeakPolarHBondContact CG1-O 3.28Å; V565-F575 HydrophobicContact CG1-CB 4.22Å; V565-F575 HydrophobicContact CG2-CB 3.88Å; V565-F575 HydrophobicContact CG2-CD1 3.89Å; V565-F575 HydrophobicContact CG2-CD2 3.86Å; V565-F575 HydrophobicContact CG2-CE1 4.39Å; V565-F575 HydrophobicContact CG2-CE2 4.37Å; V565-F575 HydrophobicContact CG2-CG 3.61Å
566	C	70	Confident	63.3	Low	8 Å²	8	50.1 Å²	50.1	5%	0.054	25%	0.254	C	S	.	.			trans	-75.1	159.4	174.8	69.5	0	0	0	0	112.6	C546 R568	C546-C566 HydrophobicContact CB-CB 3.79Å; C546-C566 PolarHBondContact SG-N 3.48Å; C546-C566 PolarHBondContact SG-SG 2.99Å; C566-R568 PolarHBondContact O-N 2.85Å; C566-R568 PolarHBondContact SG-NE 3.38Å; C566-R568 PolarHBondContact SG-NH2 3.35Å
567	E	66.5	Low	64.6	Low	128 Å²	128	44 Å²	44	60%	0.598	23%	0.23	S	C	*	.	S	Bend	trans	-67.1	6.1	-175.1	-62.1	168.7	-154.4	0	0	115.6	F555 E569	F555-E567 HydrophobicContact CE1-CG 4.4Å; F555-E567 WeakPolarHBondContact CE1-OE1 3.29Å; E567-E569 PolarHBondContact O-N 3.42Å
568	R	72.7	Confident	65.5	Low	102 Å²	102	46.1 Å²	46.1	39%	0.385	24%	0.241	S	C	.	.			trans	-66.8	127.8	172.5	-83	176.4	-76.6	-135.4	-21.1	110	C549 E551 C566 L570 C571 V572	C549-R568 VanDerWaalsContact SG-CZ 3.58Å; C549-R568 PolarHBondContact SG-NH2 2.99Å; C549-R568 VanDerWaalsContact SG-NH2 3.37Å; E551-R568 VanDerWaalsContact CB-NH1 3.29Å; C566-R568 PolarHBondContact O-N 2.85Å; C566-R568 PolarHBondContact SG-NE 3.38Å; C566-R568 PolarHBondContact SG-NH2 3.35Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 3.13Å; R568-C571 HydrophobicContact CB-CB 4.22Å; R568-C571 WeakPolarHBondContact O-CA 3.47Å; R568-C571 WeakPolarHBondContact O-CB 3.48Å; R568-C571 PolarHBondContact O-N 2.8Å; R568-V572 PolarHBondContact O-N 3.49Å
569	E	69.4	Low	66	Low	103 Å²	103	45.9 Å²	45.9	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-48.6	-46	-178.9	-67.6	157.9	-168	0	0	112.3	E567 C571 V572 F573 L630 R635	E567-E569 PolarHBondContact O-N 3.42Å; E569-C571 VanDerWaalsContact C-N 3.32Å; E569-C571 PolarHBondContact O-N 3.42Å; E569-V572 PolarHBondContact O-N 3.37Å; E569-F573 VanDerWaalsContact O-CB 3.25Å; E569-F573 WeakPolarHBondContact O-CB 3.29Å; E569-F573 PolarHBondContact O-N 3.39Å; E569-L630 HydrophobicContact CG-CD1 4.22Å; E569-R635 IonicContact OE1-CZ 3.67Å; E569-R635 IonicContact OE1-NH1 2.67Å; E569-R635 PolarHBondContact OE1-NH1 3.46Å
570	L	78.6	Confident	66.3	Low	146 Å²	146	47.2 Å²	47.2	76%	0.764	25%	0.246	S	C	*	.	H	α-helix	trans	-63.5	-30.7	176.1	-66	176.2	0	0	0	114.5	R568 A574	R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 3.13Å; L570-A574 WeakPolarHBondContact O-CB 3.4Å; L570-A574 PolarHBondContact O-N 2.86Å
571	C	74.4	Confident	66	Low	8 Å²	8	48.3 Å²	48.3	5%	0.054	25%	0.251	C	S	.	.	H	α-helix	trans	-79.7	-43.8	179.7	-61.9	0	0	0	0	111	V548 C549 V565 R568 E569 F573 A574 F575	V548-C571 HydrophobicContact CB-CB 4.05Å; V548-C571 HydrophobicContact CG1-CB 4.18Å; V548-C571 HydrophobicContact CG2-CB 4.48Å; C549-C571 PolarHBondContact SG-SG 2.99Å; V565-C571 HydrophobicContact CG1-CB 3.79Å; V565-C571 WeakPolarHBondContact CG1-O 3.28Å; R568-C571 HydrophobicContact CB-CB 4.22Å; R568-C571 WeakPolarHBondContact O-CA 3.47Å; R568-C571 WeakPolarHBondContact O-CB 3.48Å; R568-C571 PolarHBondContact O-N 2.8Å; E569-C571 VanDerWaalsContact C-N 3.32Å; E569-C571 PolarHBondContact O-N 3.42Å; C571-F573 VanDerWaalsContact C-N 3.28Å; C571-F573 PolarHBondContact O-N 3.04Å; C571-A574 PolarHBondContact O-N 3.25Å; C571-F575 WeakPolarHBondContact O-CB 3.33Å; C571-F575 PolarHBondContact O-N 3.35Å
572	V	67.1	Low	65.6	Low	11 Å²	11	50 Å²	50	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-43.1	171.7	177.9	0	0	0	0	110.3	R568 E569 Q576 V622	R568-V572 PolarHBondContact O-N 3.49Å; E569-V572 PolarHBondContact O-N 3.37Å; V572-Q576 HydrophobicContact CG1-CG 4.34Å; V572-Q576 WeakPolarHBondContact O-CB 3.45Å; V572-Q576 WeakPolarHBondContact O-CG 3.47Å; V572-Q576 PolarHBondContact O-N 3.02Å; V572-V622 HydrophobicContact CG1-CG2 4.49Å
573	F	67.6	Low	65	Low	48 Å²	48	53.8 Å²	53.8	21%	0.211	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-52.3	175.7	179.1	-97.4	0	0	0	113.6	E569 C571 F575 Q576 T577 L578 V622 P627	E569-F573 VanDerWaalsContact O-CB 3.25Å; E569-F573 WeakPolarHBondContact O-CB 3.29Å; E569-F573 PolarHBondContact O-N 3.39Å; C571-F573 VanDerWaalsContact C-N 3.28Å; C571-F573 PolarHBondContact O-N 3.04Å; F573-F575 PolarHBondContact O-N 3.12Å; F573-Q576 PolarHBondContact O-N 2.86Å; F573-T577 HydrophobicContact CD2-CG2 4.34Å; F573-T577 HydrophobicContact CE2-CG2 3.56Å; F573-T577 HydrophobicContact CZ-CG2 3.86Å; F573-T577 WeakPolarHBondContact O-CA 3.41Å; F573-T577 WeakPolarHBondContact O-CB 3.42Å; F573-T577 PolarHBondContact O-N 2.76Å; F573-L578 HydrophobicContact CD1-CD1 4.26Å; F573-L578 HydrophobicContact CD1-CG 4.26Å; F573-L578 HydrophobicContact CE1-CD1 3.84Å; F573-L578 HydrophobicContact CE1-CD2 3.98Å; F573-L578 HydrophobicContact CE1-CG 3.72Å; F573-L578 HydrophobicContact CZ-CD2 4.23Å; F573-L578 HydrophobicContact CZ-CG 4.35Å; F573-L578 PolarHBondContact O-N 3.35Å; F573-V622 HydrophobicContact CB-CG2 4.24Å; F573-V622 HydrophobicContact CD2-CG1 3.97Å; F573-V622 HydrophobicContact CD2-CG2 4.08Å; F573-V622 HydrophobicContact CE2-CG1 4.34Å; F573-P627 WeakPolarHBondContact CD2-O 3.36Å; F573-P627 HydrophobicContact CE2-CB 3.65Å; F573-P627 WeakPolarHBondContact CE2-O 3.47Å; F573-P627 HydrophobicContact CZ-CB 4.09Å
574	A	69.3	Low	64	Low	15 Å²	15	53.5 Å²	53.5	12%	0.124	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-33.8	-178.7	0	0	0	0	0	111.9	V548 L570 C571 L578 G579 V580	V548-A574 HydrophobicContact CG1-CB 3.83Å; L570-A574 WeakPolarHBondContact O-CB 3.4Å; L570-A574 PolarHBondContact O-N 2.86Å; C571-A574 PolarHBondContact O-N 3.25Å; A574-L578 HydrophobicContact CB-CD1 4.38Å; A574-L578 CarbonylContact O-C 3.51Å; A574-L578 WeakPolarHBondContact O-CB 3.4Å; A574-L578 PolarHBondContact O-N 2.9Å; A574-G579 PolarHBondContact O-N 2.93Å; A574-V580 HydrophobicContact CB-CB 4.18Å; A574-V580 HydrophobicContact CB-CG2 4.25Å; A574-V580 WeakPolarHBondContact O-CB 3.42Å; A574-V580 PolarHBondContact O-N 3.16Å
575	F	68.6	Low	62.6	Low	15 Å²	15	53.6 Å²	53.6	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-65.8	171.2	-178.6	-118.2	0	0	0	112.1	V548 V565 C571 F573 T577 G579 A585	V548-F575 HydrophobicContact CG2-CB 4.38Å; V565-F575 HydrophobicContact CG1-CB 4.22Å; V565-F575 HydrophobicContact CG2-CB 3.88Å; V565-F575 HydrophobicContact CG2-CD1 3.89Å; V565-F575 HydrophobicContact CG2-CD2 3.86Å; V565-F575 HydrophobicContact CG2-CE1 4.39Å; V565-F575 HydrophobicContact CG2-CE2 4.37Å; V565-F575 HydrophobicContact CG2-CG 3.61Å; C571-F575 WeakPolarHBondContact O-CB 3.33Å; C571-F575 PolarHBondContact O-N 3.35Å; F573-F575 PolarHBondContact O-N 3.12Å; F575-T577 PolarHBondContact O-N 3.28Å; F575-G579 WeakPolarHBondContact O-CA 3.39Å; F575-G579 PolarHBondContact O-N 2.89Å; F575-G579 VanDerWaalsContact O-N 3.17Å; F575-A585 HydrophobicContact CE2-CB 3.42Å; F575-A585 VanDerWaalsContact CE2-CB 3.42Å; F575-A585 HydrophobicContact CZ-CB 3.49Å; F575-A585 VanDerWaalsContact CZ-CB 3.49Å
576	Q	63.7	Low	61.2	Low	34 Å²	34	56.5 Å²	56.5	16%	0.159	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-31.3	-170.4	-67.9	174.9	-8.3	0	0	114.5	V572 F573 S620 V622	V572-Q576 HydrophobicContact CG1-CG 4.34Å; V572-Q576 WeakPolarHBondContact O-CB 3.45Å; V572-Q576 WeakPolarHBondContact O-CG 3.47Å; V572-Q576 PolarHBondContact O-N 3.02Å; F573-Q576 PolarHBondContact O-N 2.86Å; Q576-S620 PolarHBondContact NE2-O 3.03Å; Q576-V622 VanDerWaalsContact OE1-N 3.07Å
577	T	63.5	Low	59.8	Low	65 Å²	65	58.5 Å²	58.5	40%	0.399	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-32.7	-170.6	-46.8	0	0	0	0	113.2	F573 F575	F573-T577 HydrophobicContact CD2-CG2 4.34Å; F573-T577 HydrophobicContact CE2-CG2 3.56Å; F573-T577 HydrophobicContact CZ-CG2 3.86Å; F573-T577 WeakPolarHBondContact O-CA 3.41Å; F573-T577 WeakPolarHBondContact O-CB 3.42Å; F573-T577 PolarHBondContact O-N 2.76Å; F575-T577 PolarHBondContact O-N 3.28Å
578	L	63	Low	58.7	Low	112 Å²	112	54 Å²	54	59%	0.586	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-4.9	178.2	-53.7	-179.1	0	0	0	113.8	F573 A574 V580	F573-L578 HydrophobicContact CD1-CD1 4.26Å; F573-L578 HydrophobicContact CD1-CG 4.26Å; F573-L578 HydrophobicContact CE1-CD1 3.84Å; F573-L578 HydrophobicContact CE1-CD2 3.98Å; F573-L578 HydrophobicContact CE1-CG 3.72Å; F573-L578 HydrophobicContact CZ-CD2 4.23Å; F573-L578 HydrophobicContact CZ-CG 4.35Å; F573-L578 PolarHBondContact O-N 3.35Å; A574-L578 HydrophobicContact CB-CD1 4.38Å; A574-L578 CarbonylContact O-C 3.51Å; A574-L578 WeakPolarHBondContact O-CB 3.4Å; A574-L578 PolarHBondContact O-N 2.9Å; L578-V580 HydrophobicContact CB-CG2 3.92Å; L578-V580 PolarHBondContact O-N 3.21Å
579	G	59.7	Low	57.1	Low	28 Å²	28	53 Å²	53	29%	0.289	30%	0.298	S	S	.	.			trans	66.4	18.9	-178.5	0	0	0	0	0	114.4	A574 F575 M581 N582	A574-G579 PolarHBondContact O-N 2.93Å; F575-G579 WeakPolarHBondContact O-CA 3.39Å; F575-G579 PolarHBondContact O-N 2.89Å; F575-G579 VanDerWaalsContact O-N 3.17Å; G579-M581 PolarHBondContact O-N 3.45Å; G579-M581 VanDerWaalsContact O-N 3.12Å; G579-N582 WeakPolarHBondContact CA-OD1 3.34Å; G579-N582 WeakPolarHBondContact O-CB 3.35Å; G579-N582 PolarHBondContact O-N 3.26Å
580	V	58	Low	56.6	Low	51 Å²	51	49.3 Å²	49.3	31%	0.309	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	111.7	-177	175.3	0	0	0	0	109	A574 L578	A574-V580 HydrophobicContact CB-CB 4.18Å; A574-V580 HydrophobicContact CB-CG2 4.25Å; A574-V580 WeakPolarHBondContact O-CB 3.42Å; A574-V580 PolarHBondContact O-N 3.16Å; L578-V580 HydrophobicContact CB-CG2 3.92Å; L578-V580 PolarHBondContact O-N 3.21Å
581	M	53.7	Low	55.9	Low	29 Å²	29	44.5 Å²	44.5	14%	0.143	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	31.1	-168.4	-38.1	-80.7	67.4	0	0	113.7	H281 K285 V547 G579	H281-M581 HydrophobicContact CB-CE 3.84Å; H281-M581 HydrophobicContact CB-SD 4.2Å; K285-M581 HydrophobicContact CD-SD 4.26Å; V547-M581 HydrophobicContact CB-CG 4.19Å; V547-M581 HydrophobicContact CG2-CB 4.23Å; V547-M581 HydrophobicContact CG2-CG 4.11Å; G579-M581 PolarHBondContact O-N 3.45Å; G579-M581 VanDerWaalsContact O-N 3.12Å
582	N	51	Low	55.9	Low	44 Å²	44	45.8 Å²	45.8	24%	0.235	28%	0.279	C	S	.	.			trans	-59.1	-46.7	170.7	-105.3	27.9	0	0	0	111.9	G579 A584 A585 D586	G579-N582 WeakPolarHBondContact CA-OD1 3.34Å; G579-N582 WeakPolarHBondContact O-CB 3.35Å; G579-N582 PolarHBondContact O-N 3.26Å; N582-A584 PolarHBondContact O-N 3.01Å; N582-A585 CarbonylContact O-C 3.58Å; N582-A585 WeakPolarHBondContact O-CA 3.32Å; N582-A585 PolarHBondContact O-N 3.15Å; N582-D586 PolarHBondContact ND2-OD2 3Å; N582-D586 WeakPolarHBondContact O-CB 3.18Å; N582-D586 PolarHBondContact O-N 3.43Å
583	E	48.8	Very low	56.4	Low	120 Å²	120	47.4 Å²	47.4	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-56.1	-48.8	-177	-70.7	167.2	-161	0	0	111.2	H281 A585 D586 E587	H281-E583 IonicContact CE1-OE2 3.48Å; H281-E583 PolarHBondContact CE1-OE2 2.89Å; H281-E583 IonicContact ND1-OE2 3.58Å; H281-E583 IonicContact NE2-OE2 2.74Å; E583-A585 PolarHBondContact O-N 2.6Å; E583-D586 PolarHBondContact O-N 3.18Å; E583-E587 WeakPolarHBondContact O-CB 3.37Å; E583-E587 VanDerWaalsContact O-CG 3.23Å; E583-E587 WeakPolarHBondContact O-CG 3.33Å; E583-E587 PolarHBondContact O-N 3.46Å
584	A	40.4	Very low	57.2	Low	15 Å²	15	45.3 Å²	45.3	12%	0.124	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	0	173	0	0	0	0	0	116.3	G278 H281 N582	G278-A584 WeakPolarHBondContact O-CB 3.49Å; H281-A584 HydrophobicContact CB-CB 4.22Å; N582-A584 PolarHBondContact O-N 3.01Å
585	A	37.8	Very low	57.8	Low	17 Å²	17	45.1 Å²	45.1	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-125.2	-31.5	176.6	0	0	0	0	0	113.9	F575 N582 E583 E587 I588	F575-A585 HydrophobicContact CE2-CB 3.42Å; F575-A585 VanDerWaalsContact CE2-CB 3.42Å; F575-A585 HydrophobicContact CZ-CB 3.49Å; F575-A585 VanDerWaalsContact CZ-CB 3.49Å; N582-A585 CarbonylContact O-C 3.58Å; N582-A585 WeakPolarHBondContact O-CA 3.32Å; N582-A585 PolarHBondContact O-N 3.15Å; E583-A585 PolarHBondContact O-N 2.6Å; A585-E587 VanDerWaalsContact C-N 3.31Å; A585-I588 HydrophobicContact CB-CD1 4.38Å; A585-I588 VanDerWaalsContact O-CB 3.31Å; A585-I588 WeakPolarHBondContact O-CB 3.35Å; A585-I588 WeakPolarHBondContact O-CG1 3.47Å; A585-I588 PolarHBondContact O-N 2.88Å
586	D	41.1	Very low	58.6	Low	87 Å²	87	44.9 Å²	44.9	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-72.3	-28.9	168.9	-69.6	-38.1	0	0	0	109.8	N582 E583 I588	N582-D586 PolarHBondContact ND2-OD2 3Å; N582-D586 WeakPolarHBondContact O-CB 3.18Å; N582-D586 PolarHBondContact O-N 3.43Å; E583-D586 PolarHBondContact O-N 3.18Å; D586-I588 PolarHBondContact O-N 2.88Å
587	E	41.1	Very low	59.7	Low	50 Å²	50	43.3 Å²	43.3	23%	0.234	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.7	165.6	-78.4	173.5	-124.3	0	0	113.9	G278 E583 A585 A589	G278-E587 VanDerWaalsContact CA-OE2 3.28Å; G278-E587 WeakPolarHBondContact CA-OE2 3.41Å; G278-E587 PolarHBondContact N-OE2 3.22Å; E583-E587 WeakPolarHBondContact O-CB 3.37Å; E583-E587 VanDerWaalsContact O-CG 3.23Å; E583-E587 WeakPolarHBondContact O-CG 3.33Å; E583-E587 PolarHBondContact O-N 3.46Å; A585-E587 VanDerWaalsContact C-N 3.31Å; E587-A589 PolarHBondContact O-N 3.05Å
588	I	42.3	Very low	60.9	Low	35 Å²	35	40.7 Å²	40.7	18%	0.179	25%	0.25	C	C	.	.			trans	-72.5	80.5	171.9	-54.3	173	0	0	0	107.9	A585 D586 T590	A585-I588 HydrophobicContact CB-CD1 4.38Å; A585-I588 VanDerWaalsContact O-CB 3.31Å; A585-I588 WeakPolarHBondContact O-CB 3.35Å; A585-I588 WeakPolarHBondContact O-CG1 3.47Å; A585-I588 PolarHBondContact O-N 2.88Å; D586-I588 PolarHBondContact O-N 2.88Å; I588-T590 WeakPolarHBondContact CG2-OG1 3.25Å; I588-T590 PolarHBondContact O-N 3.45Å; I588-T590 PolarHBondContact O-OG1 3.22Å
589	A	40.7	Very low	62.2	Low	81 Å²	81	35.8 Å²	35.8	67%	0.669	22%	0.224	S	C	*	.			trans	-66.1	56.5	-176.1	0	0	0	0	0	112.7	E587 G591	E587-A589 PolarHBondContact O-N 3.05Å; A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 3.44Å
590	T	57.3	Low	63.7	Low	25 Å²	25	35.3 Å²	35.3	15%	0.153	22%	0.217	C	C	.	.			trans	-68.5	89	179.8	-53.7	0	0	0	0	106.9	I588 A592 V594 V595 L598	I588-T590 WeakPolarHBondContact CG2-OG1 3.25Å; I588-T590 PolarHBondContact O-N 3.45Å; I588-T590 PolarHBondContact O-OG1 3.22Å; T590-A592 PolarHBondContact O-N 3.28Å; T590-V594 HydrophobicContact CG2-CB 3.68Å; T590-V594 HydrophobicContact CG2-CG1 3.5Å; T590-V594 VanDerWaalsContact CG2-CG1 3.5Å; T590-V595 HydrophobicContact CG2-CG2 3.61Å; T590-V595 VanDerWaalsContact O-CG2 3.25Å; T590-V595 WeakPolarHBondContact O-CG2 3.34Å; T590-L598 HydrophobicContact CG2-CD1 4.47Å
591	G	65.3	Low	65.3	Low	45 Å²	45	32.9 Å²	32.9	46%	0.464	20%	0.202	S	C	.	.			trans	-51.7	134.5	-175.1	0	0	0	0	0	111.1	A589 Q593 V594	A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 3.44Å; G591-Q593 PolarHBondContact O-N 2.86Å; G591-V594 WeakPolarHBondContact O-CB 3.48Å; G591-V594 PolarHBondContact O-N 3.45Å
592	A	74.4	Confident	67.2	Low	34 Å²	34	31.5 Å²	31.5	28%	0.281	20%	0.195	S	C	.	.	H	α-helix	trans	-30.6	-44.3	-167.2	0	0	0	0	0	117.1	T590 V594 V595 D596 I652 T656	T590-A592 PolarHBondContact O-N 3.28Å; A592-V594 VanDerWaalsContact C-N 3.26Å; A592-V594 PolarHBondContact O-N 3.41Å; A592-V595 PolarHBondContact O-N 2.96Å; A592-D596 PolarHBondContact O-N 3.37Å; A592-I652 HydrophobicContact CB-CG2 3.52Å; A592-T656 HydrophobicContact CB-CG2 4.14Å
593	Q	77.4	Confident	69.3	Low	45 Å²	45	31 Å²	31	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-31	-178.6	-33.1	-163.2	10.1	0	0	113.3	G591 L597 F816	G591-Q593 PolarHBondContact O-N 2.86Å; Q593-L597 VanDerWaalsContact O-CB 3.27Å; Q593-L597 WeakPolarHBondContact O-CB 3.35Å; Q593-L597 PolarHBondContact O-N 3.15Å; Q593-F816 HydrophobicContact CB-CD1 3.8Å; Q593-F816 HydrophobicContact CB-CE1 3.55Å; Q593-F816 HydrophobicContact CB-CZ 4.45Å; Q593-F816 HydrophobicContact CG-CD1 3.7Å; Q593-F816 HydrophobicContact CG-CE1 3.22Å; Q593-F816 HydrophobicContact CG-CE2 4.45Å; Q593-F816 HydrophobicContact CG-CZ 3.66Å
594	V	83.4	Confident	71.4	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-80.1	-35.9	177.8	-179.1	0	0	0	0	110.8	T590 G591 A592 L597 L598 I689 F707	T590-V594 HydrophobicContact CG2-CB 3.68Å; T590-V594 HydrophobicContact CG2-CG1 3.5Å; T590-V594 VanDerWaalsContact CG2-CG1 3.5Å; G591-V594 WeakPolarHBondContact O-CB 3.48Å; G591-V594 PolarHBondContact O-N 3.45Å; A592-V594 VanDerWaalsContact C-N 3.26Å; A592-V594 PolarHBondContact O-N 3.41Å; V594-L597 PolarHBondContact O-N 3.17Å; V594-L598 HydrophobicContact CG1-CD1 4.35Å; V594-L598 VanDerWaalsContact O-CG 3.29Å; V594-L598 WeakPolarHBondContact O-CG 3.45Å; V594-L598 PolarHBondContact O-N 2.97Å; V594-I689 HydrophobicContact CG1-CB 4.34Å; V594-I689 HydrophobicContact CG1-CD1 4.38Å; V594-I689 HydrophobicContact CG1-CG1 4.07Å; V594-I689 HydrophobicContact CG1-CG2 3.55Å; V594-I689 HydrophobicContact CG2-CG1 4.33Å; V594-F707 HydrophobicContact CG2-CD1 3.8Å; V594-F707 HydrophobicContact CG2-CE1 3.61Å
595	V	82.8	Confident	74	Confident	11 Å²	11	25.6 Å²	25.6	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-46.9	173.7	-174.6	0	0	0	0	110.4	T590 A592 L597 L598 V599 I652 L678 I682	T590-V595 HydrophobicContact CG2-CG2 3.61Å; T590-V595 VanDerWaalsContact O-CG2 3.25Å; T590-V595 WeakPolarHBondContact O-CG2 3.34Å; A592-V595 PolarHBondContact O-N 2.96Å; V595-L597 VanDerWaalsContact C-N 3.34Å; V595-L597 PolarHBondContact O-N 3.34Å; V595-L598 PolarHBondContact O-N 2.65Å; V595-V599 WeakPolarHBondContact O-CG2 3.44Å; V595-V599 PolarHBondContact O-N 2.59Å; V595-I652 HydrophobicContact CB-CD1 4.17Å; V595-I652 HydrophobicContact CB-CG1 4.45Å; V595-I652 HydrophobicContact CG1-CD1 3.65Å; V595-I652 HydrophobicContact CG1-CG1 4.43Å; V595-L678 HydrophobicContact CG1-CD1 3.83Å; V595-I682 HydrophobicContact CG1-CD1 3.84Å; V595-I682 HydrophobicContact CG1-CG1 4.03Å; V595-I682 HydrophobicContact CG2-CD1 4.23Å; V595-I682 HydrophobicContact CG2-CG1 4.43Å
596	D	84.5	Confident	76.7	Confident	11 Å²	11	25 Å²	25	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-45.3	176.6	-160	108.8	0	0	0	110.9	A592 L598 V599 S600 I652 F816	A592-D596 PolarHBondContact O-N 3.37Å; D596-L598 VanDerWaalsContact C-N 3.35Å; D596-L598 PolarHBondContact O-N 3.47Å; D596-V599 PolarHBondContact O-N 2.67Å; D596-V599 VanDerWaalsContact O-N 3.16Å; D596-S600 VanDerWaalsContact O-CB 3.27Å; D596-S600 WeakPolarHBondContact O-CB 3.2Å; D596-S600 PolarHBondContact O-N 3.05Å; D596-S600 PolarHBondContact O-OG 2.9Å; D596-S600 PolarHBondContact OD2-OG 3.13Å; D596-I652 HydrophobicContact CB-CG1 3.79Å; D596-F816 WeakPolarHBondContact CB-O 3.49Å
597	L	87.9	Confident	79.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-43.7	175.8	-177.9	61.3	0	0	0	113	Q593 V594 V595 S600 M601 I689 F707 L817 F856 V858	Q593-L597 VanDerWaalsContact O-CB 3.27Å; Q593-L597 WeakPolarHBondContact O-CB 3.35Å; Q593-L597 PolarHBondContact O-N 3.15Å; V594-L597 PolarHBondContact O-N 3.17Å; V595-L597 VanDerWaalsContact C-N 3.34Å; V595-L597 PolarHBondContact O-N 3.34Å; L597-S600 PolarHBondContact O-N 2.72Å; L597-M601 HydrophobicContact CD1-CE 3.85Å; L597-M601 HydrophobicContact CD2-CE 4.37Å; L597-M601 HydrophobicContact CG-CE 3.94Å; L597-M601 WeakPolarHBondContact O-CB 3.41Å; L597-M601 VanDerWaalsContact O-CG 3.32Å; L597-M601 WeakPolarHBondContact O-CG 3.48Å; L597-M601 PolarHBondContact O-N 3.23Å; L597-I689 HydrophobicContact CD2-CD1 3.89Å; L597-F707 HydrophobicContact CD2-CD2 4.43Å; L597-F707 HydrophobicContact CD2-CE2 3.93Å; L597-F707 HydrophobicContact CD2-CZ 3.98Å; L597-L817 HydrophobicContact CB-CD1 4.22Å; L597-L817 HydrophobicContact CD1-CD1 4.33Å; L597-F856 HydrophobicContact CD2-CD1 4.24Å; L597-F856 HydrophobicContact CD2-CE1 4Å; L597-V858 HydrophobicContact CD1-CG1 4.32Å; L597-V858 HydrophobicContact CD1-CG2 3.69Å; L597-V858 HydrophobicContact CD2-CG2 3.97Å
598	L	89.4	Confident	81.8	Confident	10 Å²	10	24.3 Å²	24.3	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-41.8	176.3	-72	170.4	0	0	0	112.1	T590 V594 V595 D596 M601 C602 V681 N685 L745	T590-L598 HydrophobicContact CG2-CD1 4.47Å; V594-L598 HydrophobicContact CG1-CD1 4.35Å; V594-L598 VanDerWaalsContact O-CG 3.29Å; V594-L598 WeakPolarHBondContact O-CG 3.45Å; V594-L598 PolarHBondContact O-N 2.97Å; V595-L598 PolarHBondContact O-N 2.65Å; D596-L598 VanDerWaalsContact C-N 3.35Å; D596-L598 PolarHBondContact O-N 3.47Å; L598-M601 PolarHBondContact O-N 3.21Å; L598-C602 VanDerWaalsContact O-CB 3.29Å; L598-C602 WeakPolarHBondContact O-CB 3.24Å; L598-C602 PolarHBondContact O-N 3.09Å; L598-V681 HydrophobicContact CB-CG1 3.82Å; L598-N685 HydrophobicContact CD1-CB 3.86Å; L598-N685 HydrophobicContact CD2-CB 3.98Å; L598-L745 HydrophobicContact CD2-CD1 3.79Å
599	V	89.7	Confident	84.3	Confident	9 Å²	9	28.9 Å²	28.9	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-40.4	174.8	171	0	0	0	0	111.1	V595 D596 C602 R603 L646 I649 L678 V681	V595-V599 WeakPolarHBondContact O-CG2 3.44Å; V595-V599 PolarHBondContact O-N 2.59Å; D596-V599 PolarHBondContact O-N 2.67Å; D596-V599 VanDerWaalsContact O-N 3.16Å; V599-C602 WeakPolarHBondContact O-CB 3.33Å; V599-C602 PolarHBondContact O-N 2.99Å; V599-R603 WeakPolarHBondContact O-CB 3.33Å; V599-R603 PolarHBondContact O-N 2.8Å; V599-L646 HydrophobicContact CG1-CD1 4.36Å; V599-L646 HydrophobicContact CG1-CG 4.45Å; V599-I649 HydrophobicContact CG2-CD1 4.49Å; V599-L678 HydrophobicContact CG2-CD1 3.8Å; V599-V681 HydrophobicContact CG2-CG1 4.14Å
600	S	90.8	Very high	86.8	Confident	18 Å²	18	27.6 Å²	27.6	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-70.1	-35	178.7	-74.2	0	0	0	0	112.8	D596 L597 S604	D596-S600 VanDerWaalsContact O-CB 3.27Å; D596-S600 WeakPolarHBondContact O-CB 3.2Å; D596-S600 PolarHBondContact O-N 3.05Å; D596-S600 PolarHBondContact O-OG 2.9Å; D596-S600 PolarHBondContact OD2-OG 3.13Å; L597-S600 PolarHBondContact O-N 2.72Å; S600-S604 WeakPolarHBondContact O-CB 3.45Å; S600-S604 PolarHBondContact O-N 3Å; S600-S604 PolarHBondContact O-OG 3.13Å
601	M	92.5	Very high	88.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-44.2	168.3	-74	179	-178.4	0	0	112.4	L597 L598 R603 S604 A605 I738 W741 L745 F856	L597-M601 HydrophobicContact CD1-CE 3.85Å; L597-M601 HydrophobicContact CD2-CE 4.37Å; L597-M601 HydrophobicContact CG-CE 3.94Å; L597-M601 WeakPolarHBondContact O-CB 3.41Å; L597-M601 VanDerWaalsContact O-CG 3.32Å; L597-M601 WeakPolarHBondContact O-CG 3.48Å; L597-M601 PolarHBondContact O-N 3.23Å; L598-M601 PolarHBondContact O-N 3.21Å; M601-R603 VanDerWaalsContact C-N 3.34Å; M601-R603 PolarHBondContact O-N 3.2Å; M601-S604 PolarHBondContact O-N 3.01Å; M601-A605 WeakPolarHBondContact O-CB 3.28Å; M601-A605 PolarHBondContact O-N 3.04Å; M601-I738 HydrophobicContact CG-CD1 4.34Å; M601-I738 HydrophobicContact CG-CG1 4.03Å; M601-W741 HydrophobicContact CE-CB 3.6Å; M601-W741 HydrophobicContact CE-CG 4.23Å; M601-W741 HydrophobicContact CG-CB 4.18Å; M601-W741 HydrophobicContact SD-CB 3.53Å; M601-W741 VanDerWaalsContact SD-CB 3.53Å; M601-L745 HydrophobicContact CE-CD1 3.97Å; M601-L745 HydrophobicContact SD-CD1 3.44Å; M601-L745 WeakPolarHBondContact SD-CD1 3.07Å; M601-L745 HydrophobicContact SD-CG 4.21Å; M601-F856 HydrophobicContact CE-CE1 3.44Å; M601-F856 VanDerWaalsContact CE-CE1 3.44Å; M601-F856 HydrophobicContact CE-CE2 4.49Å; M601-F856 HydrophobicContact CE-CZ 3.34Å
602	C	93.4	Very high	90	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-46.8	176	-177	0	0	0	0	110.9	L598 V599 A605 L606 L646 V681	L598-C602 VanDerWaalsContact O-CB 3.29Å; L598-C602 WeakPolarHBondContact O-CB 3.24Å; L598-C602 PolarHBondContact O-N 3.09Å; V599-C602 WeakPolarHBondContact O-CB 3.33Å; V599-C602 PolarHBondContact O-N 2.99Å; C602-A605 PolarHBondContact O-N 3.31Å; C602-L606 PolarHBondContact O-N 3.34Å; C602-L606 VanDerWaalsContact O-N 3.11Å; C602-L646 HydrophobicContact CB-CD1 4.35Å; C602-L646 HydrophobicContact CB-CD2 4.47Å; C602-V681 HydrophobicContact CB-CG2 4.43Å
603	R	93.5	Very high	90.8	Very high	32 Å²	32	30.6 Å²	30.6	12%	0.121	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-50.1	174	-173.7	170.5	-80.1	99.1	1	111.6	V599 M601 A605 L606 E607 M643 L646 D647	V599-R603 WeakPolarHBondContact O-CB 3.33Å; V599-R603 PolarHBondContact O-N 2.8Å; M601-R603 VanDerWaalsContact C-N 3.34Å; M601-R603 PolarHBondContact O-N 3.2Å; R603-A605 VanDerWaalsContact C-N 3.27Å; R603-A605 PolarHBondContact O-N 2.91Å; R603-L606 PolarHBondContact O-N 3.26Å; R603-E607 WeakPolarHBondContact CD-OE1 3.48Å; R603-E607 HydrophobicContact CG-CG 4.24Å; R603-E607 WeakPolarHBondContact CG-OE1 3.07Å; R603-E607 WeakPolarHBondContact O-CG 3.25Å; R603-E607 PolarHBondContact O-N 2.86Å; R603-M643 HydrophobicContact CG-CE 3.98Å; R603-M643 HydrophobicContact CG-SD 4.43Å; R603-L646 HydrophobicContact CB-CD2 3.59Å; R603-L646 HydrophobicContact CG-CD2 4.25Å; R603-L646 VanDerWaalsContact NH2-C 3.34Å; R603-L646 PolarHBondContact NH2-O 2.85Å; R603-D647 IonicContact CZ-OD1 2.63Å; R603-D647 IonicContact NE-OD1 2.89Å; R603-D647 PolarHBondContact NE-OD1 2.7Å; R603-D647 IonicContact NH2-OD1 3.26Å; R603-D647 PolarHBondContact NH2-OD1 3.34Å
604	S	93.6	Very high	91.5	Very high	22 Å²	22	28.6 Å²	28.6	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-37.8	179.2	-60.4	0	0	0	0	113.1	S600 M601 S608 E739	S600-S604 WeakPolarHBondContact O-CB 3.45Å; S600-S604 PolarHBondContact O-N 3Å; S600-S604 PolarHBondContact O-OG 3.13Å; M601-S604 PolarHBondContact O-N 3.01Å; S604-S608 PolarHBondContact O-N 3.24Å; S604-E739 WeakPolarHBondContact O-CB 3.25Å
605	A	95.2	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72.9	-29.3	177.5	0	0	0	0	0	113.1	M601 C602 R603 K611 F615 E739 H742	M601-A605 WeakPolarHBondContact O-CB 3.28Å; M601-A605 PolarHBondContact O-N 3.04Å; C602-A605 PolarHBondContact O-N 3.31Å; R603-A605 VanDerWaalsContact C-N 3.27Å; R603-A605 PolarHBondContact O-N 2.91Å; A605-K611 WeakPolarHBondContact O-CA 3.28Å; A605-K611 WeakPolarHBondContact O-CB 3.36Å; A605-F615 HydrophobicContact CB-CB 4.49Å; A605-F615 HydrophobicContact CB-CD2 3.76Å; A605-E739 WeakPolarHBondContact CB-O 3.38Å; A605-H742 HydrophobicContact CB-CB 3.71Å
606	L	95.2	Very high	92.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-80.5	-31.3	175	-81.2	161.6	0	0	0	113.9	C602 R603 K611 F615 Y639 V642 M643 L646	C602-L606 PolarHBondContact O-N 3.34Å; C602-L606 VanDerWaalsContact O-N 3.11Å; R603-L606 PolarHBondContact O-N 3.26Å; L606-K611 WeakPolarHBondContact O-CD 3.45Å; L606-F615 HydrophobicContact CD1-CE1 4.2Å; L606-F615 HydrophobicContact CD1-CE2 3.97Å; L606-F615 HydrophobicContact CD1-CZ 3.69Å; L606-F615 HydrophobicContact CD2-CD1 3.74Å; L606-F615 HydrophobicContact CD2-CD2 4.5Å; L606-F615 HydrophobicContact CD2-CE1 3.57Å; L606-F615 HydrophobicContact CD2-CE2 4.37Å; L606-F615 HydrophobicContact CD2-CG 4.21Å; L606-F615 HydrophobicContact CD2-CZ 3.93Å; L606-F615 HydrophobicContact CG-CD1 4.16Å; L606-F615 HydrophobicContact CG-CD2 4.03Å; L606-F615 HydrophobicContact CG-CE1 3.9Å; L606-F615 HydrophobicContact CG-CE2 3.78Å; L606-F615 HydrophobicContact CG-CG 4.22Å; L606-F615 HydrophobicContact CG-CZ 3.71Å; L606-Y639 HydrophobicContact CD2-CD1 3.97Å; L606-Y639 HydrophobicContact CD2-CG 4.5Å; L606-V642 HydrophobicContact CD1-CB 4.39Å; L606-V642 HydrophobicContact CD1-CG1 3.66Å; L606-V642 HydrophobicContact CD2-CB 4.38Å; L606-V642 HydrophobicContact CD2-CG1 4.36Å; L606-M643 HydrophobicContact CB-SD 4.17Å; L606-L646 HydrophobicContact CD1-CD2 4.07Å
607	E	94.4	Very high	92.4	Very high	115 Å²	115	32.2 Å²	32.2	54%	0.537	17%	0.174	S	C	.	.	H	α-helix	trans	-76.5	-27.6	174.8	-71.6	178.3	178.7	0	0	112.1	R603 M643	R603-E607 WeakPolarHBondContact CD-OE1 3.48Å; R603-E607 HydrophobicContact CG-CG 4.24Å; R603-E607 WeakPolarHBondContact CG-OE1 3.07Å; R603-E607 WeakPolarHBondContact O-CG 3.25Å; R603-E607 PolarHBondContact O-N 2.86Å; E607-M643 HydrophobicContact CG-CE 3.9Å; E607-M643 HydrophobicContact CG-SD 4.47Å; E607-M643 WeakPolarHBondContact OE1-CE 3.44Å
608	S	94.4	Very high	92.6	Very high	8 Å²	8	32.5 Å²	32.5	6%	0.056	18%	0.175	C	C	.	.	S	Bend	trans	-62.8	138.2	-179.8	178.7	0	0	0	0	112.8	S604 R610 K611 E739	S604-S608 PolarHBondContact O-N 3.24Å; S608-R610 PolarHBondContact O-N 2.91Å; S608-R610 PolarHBondContact OG-N 3.31Å; S608-R610 VanDerWaalsContact OG-N 3.13Å; S608-K611 WeakPolarHBondContact O-CB 3.2Å; S608-K611 PolarHBondContact O-N 3.07Å; S608-E739 WeakPolarHBondContact CB-OE1 3.29Å; S608-E739 PolarHBondContact OG-OE1 2.8Å
609	P	94.3	Very high	92.6	Very high	132 Å²	132	32 Å²	32	86%	0.857	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15	170.9	27.8	-35.8	0	0	0	112.8
610	R	94.3	Very high	92.5	Very high	54 Å²	54	32.2 Å²	32.2	20%	0.204	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	5.9	175.3	-68.6	172.6	63.5	-115.3	5.1	113.5	S608 V612 V613 I614 N740 L757	S608-R610 PolarHBondContact O-N 2.91Å; S608-R610 PolarHBondContact OG-N 3.31Å; S608-R610 VanDerWaalsContact OG-N 3.13Å; R610-V612 PolarHBondContact O-N 3.3Å; R610-V613 PolarHBondContact O-N 3.1Å; R610-I614 HydrophobicContact CB-CD1 3.93Å; R610-I614 HydrophobicContact CB-CG1 4.29Å; R610-I614 HydrophobicContact CB-CG2 4.36Å; R610-I614 PolarHBondContact O-N 2.86Å; R610-I614 VanDerWaalsContact O-N 3.12Å; R610-N740 PolarHBondContact NH1-OD1 3.11Å; R610-L757 PolarHBondContact NH2-O 2.96Å; R610-L757 VanDerWaalsContact NH2-O 3.14Å
611	K	95.2	Very high	92.2	Very high	49 Å²	49	31.3 Å²	31.3	21%	0.213	17%	0.168	C	C	.	.	H	α-helix	trans	-47.4	-37	-175	69.1	-167.3	-167.9	179.8	0	115.1	A605 L606 S608 V613 F615 Y639 D640	A605-K611 WeakPolarHBondContact O-CA 3.28Å; A605-K611 WeakPolarHBondContact O-CB 3.36Å; L606-K611 WeakPolarHBondContact O-CD 3.45Å; S608-K611 WeakPolarHBondContact O-CB 3.2Å; S608-K611 PolarHBondContact O-N 3.07Å; K611-V613 PolarHBondContact O-N 3.17Å; K611-V613 VanDerWaalsContact O-N 3.11Å; K611-F615 HydrophobicContact CB-CB 4.43Å; K611-F615 WeakPolarHBondContact O-CB 3.43Å; K611-F615 PolarHBondContact O-N 2.77Å; K611-Y639 HydrophobicContact CD-CD1 4.26Å; K611-Y639 HydrophobicContact CD-CG 4.12Å; K611-Y639 HydrophobicContact CG-CD1 4.17Å; K611-Y639 HydrophobicContact CG-CE1 4.37Å; K611-Y639 HydrophobicContact CG-CG 4.34Å; K611-D640 IonicContact NZ-OD1 3.32Å; K611-D640 PolarHBondContact NZ-OD1 2.91Å
612	V	93.2	Very high	91.8	Very high	83 Å²	83	31.7 Å²	31.7	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-16.2	177.6	-175.9	0	0	0	0	114	R610 Y639	R610-V612 PolarHBondContact O-N 3.3Å; V612-Y639 HydrophobicContact CG2-CE2 4.16Å
613	V	91	Very high	91.3	Very high	35 Å²	35	33.8 Å²	33.8	21%	0.212	18%	0.182	C	C	.	.	H	α-helix	trans	-115.1	-32.9	-179.2	-169.2	0	0	0	0	112.5	R610 K611 R756 L757	R610-V613 PolarHBondContact O-N 3.1Å; K611-V613 PolarHBondContact O-N 3.17Å; K611-V613 VanDerWaalsContact O-N 3.11Å; V613-R756 HydrophobicContact CG1-CB 3.95Å; V613-L757 HydrophobicContact CG1-CD2 4.01Å
614	I	92.5	Very high	90.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-107.2	-15.7	-173.4	70.4	-176.8	0	0	0	115.1	R610 E616 E739 L757	R610-I614 HydrophobicContact CB-CD1 3.93Å; R610-I614 HydrophobicContact CB-CG1 4.29Å; R610-I614 HydrophobicContact CB-CG2 4.36Å; R610-I614 PolarHBondContact O-N 2.86Å; R610-I614 VanDerWaalsContact O-N 3.12Å; I614-E616 PolarHBondContact O-N 2.92Å; I614-E739 HydrophobicContact CD1-CB 3.82Å; I614-E739 HydrophobicContact CD1-CG 3.75Å; I614-E739 WeakPolarHBondContact CD1-O 3.41Å; I614-L757 HydrophobicContact CG2-CD2 4.24Å
615	F	94.5	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-82.4	60.7	172.7	-166.2	-121	0	0	0	110.1	A605 L606 K611 Y618 P619 Y639 V642 H742	A605-F615 HydrophobicContact CB-CB 4.49Å; A605-F615 HydrophobicContact CB-CD2 3.76Å; L606-F615 HydrophobicContact CD1-CE1 4.2Å; L606-F615 HydrophobicContact CD1-CE2 3.97Å; L606-F615 HydrophobicContact CD1-CZ 3.69Å; L606-F615 HydrophobicContact CD2-CD1 3.74Å; L606-F615 HydrophobicContact CD2-CD2 4.5Å; L606-F615 HydrophobicContact CD2-CE1 3.57Å; L606-F615 HydrophobicContact CD2-CE2 4.37Å; L606-F615 HydrophobicContact CD2-CG 4.21Å; L606-F615 HydrophobicContact CD2-CZ 3.93Å; L606-F615 HydrophobicContact CG-CD1 4.16Å; L606-F615 HydrophobicContact CG-CD2 4.03Å; L606-F615 HydrophobicContact CG-CE1 3.9Å; L606-F615 HydrophobicContact CG-CE2 3.78Å; L606-F615 HydrophobicContact CG-CG 4.22Å; L606-F615 HydrophobicContact CG-CZ 3.71Å; K611-F615 HydrophobicContact CB-CB 4.43Å; K611-F615 WeakPolarHBondContact O-CB 3.43Å; K611-F615 PolarHBondContact O-N 2.77Å; F615-Y618 AromaticContact CD1-CD2 3.82Å; F615-Y618 HydrophobicContact CD1-CD2 3.82Å; F615-Y618 HydrophobicContact CD1-CE2 4.42Å; F615-Y618 AromaticContact CE1-CD2 3.87Å; F615-Y618 HydrophobicContact CE1-CD2 3.87Å; F615-Y618 HydrophobicContact CE1-CE2 4.23Å; F615-P619 HydrophobicContact CE1-CG 4Å; F615-P619 HydrophobicContact CZ-CG 3.93Å; F615-Y639 HydrophobicContact CD1-CD1 4.03Å; F615-Y639 HydrophobicContact CD1-CE1 4.11Å; F615-V642 HydrophobicContact CE1-CG1 4.3Å; F615-V642 HydrophobicContact CZ-CG1 4.18Å; F615-H742 AromaticContact CD2-CD2 3.7Å; F615-H742 AromaticContact CD2-CE1 3.82Å; F615-H742 AromaticContact CD2-NE2 3.55Å; F615-H742 AromaticContact CE2-CE1 3.44Å; F615-H742 VanDerWaalsContact CE2-CE1 3.44Å; F615-H742 WeakPolarHBondContact CE2-CE1 3.17Å; F615-H742 AromaticContact CE2-ND1 3.84Å; F615-H742 AromaticContact CE2-NE2 3.62Å
616	E	87.8	Confident	89.8	Confident	73 Å²	73	43.9 Å²	43.9	34%	0.341	24%	0.24	S	C	.	.			trans	-129.6	130.8	-179.6	-68.3	-71.5	-150.1	0	0	111.1	I614 Y618 K637 S743 N747	I614-E616 PolarHBondContact O-N 2.92Å; E616-Y618 PolarHBondContact OE2-N 3.39Å; E616-K637 IonicContact OE1-NZ 3.52Å; E616-K637 PolarHBondContact OE1-NZ 3.27Å; E616-K637 IonicContact OE2-NZ 3.65Å; E616-K637 PolarHBondContact OE2-NZ 3.5Å; E616-S743 WeakPolarHBondContact O-CA 3.44Å; E616-S743 WeakPolarHBondContact O-CB 3.44Å; E616-S743 PolarHBondContact O-OG 2.98Å; E616-N747 PolarHBondContact O-ND2 2.7Å
617	P	88.4	Confident	88.9	Confident	29 Å²	29	47.1 Å²	47.1	19%	0.188	26%	0.262	C	S	.	.	S	Bend	cis	-65.4	146.4	-4.1	28.1	-35.8	0	0	0	112.5	W680 H742 R746	P617-W680 HydrophobicContact CG-CZ2 4.48Å; P617-W680 WeakPolarHBondContact O-CH2 3.17Å; P617-H742 PolarHBondContact O-NE2 3.12Å; P617-R746 HydrophobicContact CG-CB 4.47Å
618	Y	90.9	Very high	88.1	Confident	6 Å²	6	50.6 Å²	50.6	2%	0.024	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-78.6	149.5	169.9	178.9	-84.6	0	0	0	111.1	F615 E616 S620 F632 P634 K637 N638 Y639 V642	F615-Y618 AromaticContact CD1-CD2 3.82Å; F615-Y618 HydrophobicContact CD1-CD2 3.82Å; F615-Y618 HydrophobicContact CD1-CE2 4.42Å; F615-Y618 AromaticContact CE1-CD2 3.87Å; F615-Y618 HydrophobicContact CE1-CD2 3.87Å; F615-Y618 HydrophobicContact CE1-CE2 4.23Å; E616-Y618 PolarHBondContact OE2-N 3.39Å; Y618-S620 PolarHBondContact O-N 2.8Å; Y618-F632 HydrophobicContact CE1-CB 4.1Å; Y618-P634 HydrophobicContact CD1-CB 4.37Å; Y618-P634 HydrophobicContact CD1-CG 4.26Å; Y618-K637 HydrophobicContact CD1-CG 4.03Å; Y618-K637 HydrophobicContact CD2-CB 3.87Å; Y618-K637 HydrophobicContact CD2-CD 3.64Å; Y618-K637 HydrophobicContact CD2-CG 3.68Å; Y618-K637 HydrophobicContact CE1-CB 4.44Å; Y618-K637 HydrophobicContact CE1-CG 4.27Å; Y618-K637 HydrophobicContact CE2-CB 3.61Å; Y618-K637 HydrophobicContact CE2-CD 4.3Å; Y618-K637 HydrophobicContact CE2-CG 3.93Å; Y618-K637 HydrophobicContact CG-CB 4.38Å; Y618-K637 HydrophobicContact CG-CD 3.79Å; Y618-K637 HydrophobicContact CG-CG 3.75Å; Y618-N638 PolarHBondContact OH-N 3.47Å; Y618-N638 PolarHBondContact OH-O 3.45Å; Y618-Y639 HydrophobicContact CD2-CD1 4.43Å; Y618-Y639 HydrophobicContact CD2-CE1 4.12Å; Y618-Y639 HydrophobicContact CE2-CD1 4.2Å; Y618-Y639 HydrophobicContact CE2-CE1 4.25Å; Y618-V642 HydrophobicContact CE2-CG2 4.04Å; Y618-V642 WeakPolarHBondContact OH-CG2 3.44Å
619	P	90.1	Very high	87.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-54.5	133.4	179.9	-25.3	31.9	0	0	0	115.2	F615 V621 F632 V642 L677 W680	F615-P619 HydrophobicContact CE1-CG 4Å; F615-P619 HydrophobicContact CZ-CG 3.93Å; P619-V621 HydrophobicContact CB-CG2 4.28Å; P619-F632 HydrophobicContact CB-CB 3.77Å; P619-F632 HydrophobicContact CB-CD2 4.01Å; P619-F632 HydrophobicContact CB-CG 4.08Å; P619-F632 CarbonylContact O-C 3.58Å; P619-F632 WeakPolarHBondContact O-CB 3.38Å; P619-F632 VanDerWaalsContact O-O 3.13Å; P619-V642 HydrophobicContact CG-CG1 4.08Å; P619-V642 HydrophobicContact CG-CG2 4.23Å; P619-L677 HydrophobicContact CB-CD1 4.05Å; P619-L677 HydrophobicContact CG-CD1 3.9Å; P619-W680 VanDerWaalsContact CA-CZ2 3.44Å; P619-W680 HydrophobicContact CB-CD2 4.05Å; P619-W680 HydrophobicContact CB-CE3 4Å; P619-W680 HydrophobicContact CB-CH2 4.24Å; P619-W680 HydrophobicContact CB-CZ2 4.32Å; P619-W680 HydrophobicContact CB-CZ3 4.11Å; P619-W680 HydrophobicContact CG-CD2 4.46Å; P619-W680 HydrophobicContact CG-CE3 3.95Å; P619-W680 HydrophobicContact CG-CH2 3.85Å; P619-W680 HydrophobicContact CG-CZ2 4.42Å; P619-W680 HydrophobicContact CG-CZ3 3.63Å
620	S	86.9	Confident	87.1	Confident	13 Å²	13	51 Å²	51	9%	0.091	27%	0.269	C	S	.	.			trans	-115.9	103.1	168.2	-165.8	0	0	0	0	107.8	Q576 Y618 F632	Q576-S620 PolarHBondContact NE2-O 3.03Å; Y618-S620 PolarHBondContact O-N 2.8Å; S620-F632 WeakPolarHBondContact CA-O 3.07Å
621	V	85.6	Confident	86.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.7	-171	179.9	0	0	0	0	110	P619 L630 A631 F632 P676 W680	P619-V621 HydrophobicContact CB-CG2 4.28Å; V621-L630 CarbonylContact O-C 3.24Å; V621-L630 VanDerWaalsContact O-CA 3.29Å; V621-L630 WeakPolarHBondContact O-CA 3.01Å; V621-A631 PolarHBondContact O-N 2.85Å; V621-F632 HydrophobicContact CB-CB 4.09Å; V621-F632 HydrophobicContact CB-CD2 3.73Å; V621-F632 HydrophobicContact CB-CG 4.34Å; V621-F632 HydrophobicContact CG1-CD2 4.31Å; V621-F632 HydrophobicContact CG2-CB 4.44Å; V621-F632 HydrophobicContact CG2-CD2 3.82Å; V621-F632 PolarHBondContact N-O 2.87Å; V621-F632 PolarHBondContact O-N 3.47Å; V621-F632 VanDerWaalsContact O-N 3.08Å; V621-P676 HydrophobicContact CG1-CB 3.5Å; V621-W680 HydrophobicContact CG2-CB 3.84Å; V621-W680 HydrophobicContact CG2-CG 4.04Å
622	V	83.6	Confident	86.6	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.3	175.7	179.8	0	0	0	0	110.9	V572 F573 Q576 P624 L630	V572-V622 HydrophobicContact CG1-CG2 4.49Å; F573-V622 HydrophobicContact CB-CG2 4.24Å; F573-V622 HydrophobicContact CD2-CG1 3.97Å; F573-V622 HydrophobicContact CD2-CG2 4.08Å; F573-V622 HydrophobicContact CE2-CG1 4.34Å; Q576-V622 VanDerWaalsContact OE1-N 3.07Å; V622-P624 WeakPolarHBondContact O-CD 3.21Å; V622-L630 HydrophobicContact CG2-CD2 4Å
623	D	83.8	Confident	86.3	Confident	43 Å²	43	45.5 Å²	45.5	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.3	170.5	-158.5	-56.9	0	0	0	110.7	N625 D626 M629 A631	D623-N625 PolarHBondContact O-N 2.85Å; D623-N625 WeakPolarHBondContact OD1-CB 3.36Å; D623-N625 PolarHBondContact OD1-N 3.26Å; D623-N625 PolarHBondContact OD1-ND2 3.08Å; D623-D626 HydrophobicContact CB-CB 4.42Å; D623-D626 CarbonylContact O-C 3.36Å; D623-D626 VanDerWaalsContact O-C 3.24Å; D623-D626 PolarHBondContact O-N 2.71Å; D623-D626 VanDerWaalsContact O-N 3.12Å; D623-M629 PolarHBondContact N-O 3.4Å; D623-A631 HydrophobicContact CB-CB 3.83Å
624	P	82.2	Confident	86.1	Confident	70 Å²	70	46.2 Å²	46.2	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.2	175.7	-24.8	34.4	0	0	0	114.4	V622 P672 L673 P676	V622-P624 WeakPolarHBondContact O-CD 3.21Å; P624-P672 HydrophobicContact CG-CB 4.28Å; P624-P672 WeakPolarHBondContact CG-O 3.5Å; P624-L673 VanDerWaalsContact CD-CD2 3.45Å; P624-L673 HydrophobicContact CG-CD2 4.2Å; P624-P676 HydrophobicContact CG-CG 4.27Å
625	N	83.7	Confident	85.9	Confident	130 Å²	130	55.9 Å²	55.9	70%	0.695	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-20.6	-179.2	-47.2	-89.4	0	0	0	112.6	D623	D623-N625 PolarHBondContact O-N 2.85Å; D623-N625 WeakPolarHBondContact OD1-CB 3.36Å; D623-N625 PolarHBondContact OD1-N 3.26Å; D623-N625 PolarHBondContact OD1-ND2 3.08Å
626	D	83.6	Confident	85.6	Confident	67 Å²	67	64.2 Å²	64.2	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	93.3	174.8	-171.7	-13.7	0	0	0	111.2	D623 Q628 M629	D623-D626 HydrophobicContact CB-CB 4.42Å; D623-D626 CarbonylContact O-C 3.36Å; D623-D626 VanDerWaalsContact O-C 3.24Å; D623-D626 PolarHBondContact O-N 2.71Å; D623-D626 VanDerWaalsContact O-N 3.12Å; D626-Q628 PolarHBondContact O-N 3.26Å; D626-Q628 PolarHBondContact OD1-N 3.24Å; D626-M629 HydrophobicContact CB-CB 4.28Å; D626-M629 PolarHBondContact O-N 2.82Å; D626-M629 WeakPolarHBondContact OD2-CG 3.22Å
627	P	76.8	Confident	85.9	Confident	72 Å²	72	63.5 Å²	63.5	47%	0.468	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	-18.9	173	-35.7	40.8	0	0	0	117.2	F573	F573-P627 WeakPolarHBondContact CD2-O 3.36Å; F573-P627 HydrophobicContact CE2-CB 3.65Å; F573-P627 WeakPolarHBondContact CE2-O 3.47Å; F573-P627 HydrophobicContact CZ-CB 4.09Å
628	Q	76.9	Confident	86.2	Confident	188 Å²	188	66 Å²	66	88%	0.879	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	-1.3	179.3	-59.1	-164.2	18.9	0	0	113.6	D626	D626-Q628 PolarHBondContact O-N 3.26Å; D626-Q628 PolarHBondContact OD1-N 3.24Å
629	M	82.6	Confident	86.4	Confident	118 Å²	118	67.3 Å²	67.3	58%	0.581	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.8	-179.6	-68.6	-155.7	69.1	0	0	113.4	D623 D626	D623-M629 PolarHBondContact N-O 3.4Å; D626-M629 HydrophobicContact CB-CB 4.28Å; D626-M629 PolarHBondContact O-N 2.82Å; D626-M629 WeakPolarHBondContact OD2-CG 3.22Å
630	L	85.4	Confident	86.6	Confident	29 Å²	29	72.6 Å²	72.6	15%	0.152	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.8	168.1	-69.9	-179.6	0	0	0	110	E569 V621 V622 F632 N633	E569-L630 HydrophobicContact CG-CD1 4.22Å; V621-L630 CarbonylContact O-C 3.24Å; V621-L630 VanDerWaalsContact O-CA 3.29Å; V621-L630 WeakPolarHBondContact O-CA 3.01Å; V622-L630 HydrophobicContact CG2-CD2 4Å; L630-F632 VanDerWaalsContact C-N 3.25Å; L630-F632 PolarHBondContact O-N 2.88Å; L630-N633 HydrophobicContact CB-CB 3.94Å; L630-N633 HydrophobicContact CD1-CB 4.46Å
631	A	87.3	Confident	87	Confident	30 Å²	30	75.4 Å²	75.4	25%	0.248	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-35.9	170.8	0	0	0	0	0	112.3	V621 D623 L673	V621-A631 PolarHBondContact O-N 2.85Å; D623-A631 HydrophobicContact CB-CB 3.83Å; A631-L673 HydrophobicContact CB-CD1 3.68Å; A631-L673 HydrophobicContact CB-CD2 3.64Å; A631-L673 HydrophobicContact CB-CG 4.33Å
632	F	91.8	Very high	87.4	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.7	163.5	-59	-48	0	0	0	109.8	Y618 P619 S620 V621 L630 R641 V642 A645 L673 L677	Y618-F632 HydrophobicContact CE1-CB 4.1Å; P619-F632 HydrophobicContact CB-CB 3.77Å; P619-F632 HydrophobicContact CB-CD2 4.01Å; P619-F632 HydrophobicContact CB-CG 4.08Å; P619-F632 CarbonylContact O-C 3.58Å; P619-F632 WeakPolarHBondContact O-CB 3.38Å; P619-F632 VanDerWaalsContact O-O 3.13Å; S620-F632 WeakPolarHBondContact CA-O 3.07Å; V621-F632 HydrophobicContact CB-CB 4.09Å; V621-F632 HydrophobicContact CB-CD2 3.73Å; V621-F632 HydrophobicContact CB-CG 4.34Å; V621-F632 HydrophobicContact CG1-CD2 4.31Å; V621-F632 HydrophobicContact CG2-CB 4.44Å; V621-F632 HydrophobicContact CG2-CD2 3.82Å; V621-F632 PolarHBondContact N-O 2.87Å; V621-F632 PolarHBondContact O-N 3.47Å; V621-F632 VanDerWaalsContact O-N 3.08Å; L630-F632 VanDerWaalsContact C-N 3.25Å; L630-F632 PolarHBondContact O-N 2.88Å; F632-R641 HydrophobicContact CE1-CB 4.17Å; F632-R641 HydrophobicContact CE1-CG 3.73Å; F632-R641 HydrophobicContact CZ-CG 4.43Å; F632-V642 HydrophobicContact CD1-CG2 3.44Å; F632-V642 VanDerWaalsContact CD1-CG2 3.44Å; F632-V642 HydrophobicContact CD2-CG2 4.47Å; F632-V642 HydrophobicContact CE1-CB 4.06Å; F632-V642 HydrophobicContact CE1-CG2 3.38Å; F632-V642 HydrophobicContact CE2-CG2 4.47Å; F632-V642 HydrophobicContact CG-CG2 4.02Å; F632-V642 HydrophobicContact CZ-CB 4.29Å; F632-V642 HydrophobicContact CZ-CG2 3.96Å; F632-A645 HydrophobicContact CE2-CB 4.35Å; F632-A645 HydrophobicContact CZ-CB 3.89Å; F632-L673 HydrophobicContact CE1-CD1 4.02Å; F632-L673 HydrophobicContact CE2-CB 4.05Å; F632-L673 HydrophobicContact CE2-CD1 3.94Å; F632-L673 HydrophobicContact CZ-CB 4.17Å; F632-L673 HydrophobicContact CZ-CD1 3.59Å; F632-L677 HydrophobicContact CD2-CD1 4.24Å; F632-L677 HydrophobicContact CE2-CB 4.18Å; F632-L677 HydrophobicContact CE2-CD1 4.06Å; F632-L677 HydrophobicContact CE2-CD2 4.21Å; F632-L677 HydrophobicContact CE2-CG 4.38Å
633	N	87.4	Confident	87.9	Confident	41 Å²	41	76.8 Å²	76.8	22%	0.219	38%	0.382	C	S	.	.			trans	-119.9	118.1	-175.2	-171	-43.1	0	0	0	110.7	L630 R635 K636 K637	L630-N633 HydrophobicContact CB-CB 3.94Å; L630-N633 HydrophobicContact CD1-CB 4.46Å; N633-R635 PolarHBondContact O-N 3.21Å; N633-R635 VanDerWaalsContact O-N 3.13Å; N633-R635 VanDerWaalsContact OD1-CB 3.31Å; N633-R635 WeakPolarHBondContact OD1-CB 3.23Å; N633-R635 PolarHBondContact OD1-N 3.02Å; N633-K636 HydrophobicContact CB-CB 4.5Å; N633-K636 CarbonylContact O-C 3.49Å; N633-K636 PolarHBondContact O-N 2.96Å; N633-K637 PolarHBondContact O-N 3.35Å
634	P	87.4	Confident	88.4	Confident	51 Å²	51	80.8 Å²	80.8	33%	0.331	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.8	178.1	-28	35.9	0	0	0	115.2	Y618 K637	Y618-P634 HydrophobicContact CD1-CB 4.37Å; Y618-P634 HydrophobicContact CD1-CG 4.26Å; P634-K637 VanDerWaalsContact O-CE 3.31Å; P634-K637 WeakPolarHBondContact O-CE 3.16Å; P634-K637 WeakPolarHBondContact O-CG 3.33Å
635	R	86.6	Confident	89	Confident	205 Å²	205	77.4 Å²	77.4	77%	0.774	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.1	175.4	-55.8	179.4	-179.8	130.1	1.8	113.2	E569 N633	E569-R635 IonicContact OE1-CZ 3.67Å; E569-R635 IonicContact OE1-NH1 2.67Å; E569-R635 PolarHBondContact OE1-NH1 3.46Å; N633-R635 PolarHBondContact O-N 3.21Å; N633-R635 VanDerWaalsContact O-N 3.13Å; N633-R635 VanDerWaalsContact OD1-CB 3.31Å; N633-R635 WeakPolarHBondContact OD1-CB 3.23Å; N633-R635 PolarHBondContact OD1-N 3.02Å
636	K	89.3	Confident	89.4	Confident	175 Å²	175	71.2 Å²	71.2	76%	0.761	34%	0.343	S	S	*	.	S	Bend	trans	-137.5	66.2	-178.1	-167.4	-173.1	177.6	-175.9	0	110.3	N633 N638	N633-K636 HydrophobicContact CB-CB 4.5Å; N633-K636 CarbonylContact O-C 3.49Å; N633-K636 PolarHBondContact O-N 2.96Å; K636-N638 PolarHBondContact O-N 2.83Å
637	K	93.4	Very high	89.7	Confident	57 Å²	57	71.9 Å²	71.9	25%	0.248	35%	0.346	C	S	.	.			trans	-62.9	129.2	-174.1	-57.1	-171.3	178.8	-168.1	0	112.1	E616 Y618 N633 P634 Y639	E616-K637 IonicContact OE1-NZ 3.52Å; E616-K637 PolarHBondContact OE1-NZ 3.27Å; E616-K637 IonicContact OE2-NZ 3.65Å; E616-K637 PolarHBondContact OE2-NZ 3.5Å; Y618-K637 HydrophobicContact CD1-CG 4.03Å; Y618-K637 HydrophobicContact CD2-CB 3.87Å; Y618-K637 HydrophobicContact CD2-CD 3.64Å; Y618-K637 HydrophobicContact CD2-CG 3.68Å; Y618-K637 HydrophobicContact CE1-CB 4.44Å; Y618-K637 HydrophobicContact CE1-CG 4.27Å; Y618-K637 HydrophobicContact CE2-CB 3.61Å; Y618-K637 HydrophobicContact CE2-CD 4.3Å; Y618-K637 HydrophobicContact CE2-CG 3.93Å; Y618-K637 HydrophobicContact CG-CB 4.38Å; Y618-K637 HydrophobicContact CG-CD 3.79Å; Y618-K637 HydrophobicContact CG-CG 3.75Å; N633-K637 PolarHBondContact O-N 3.35Å; P634-K637 VanDerWaalsContact O-CE 3.31Å; P634-K637 WeakPolarHBondContact O-CE 3.16Å; P634-K637 WeakPolarHBondContact O-CG 3.33Å; K637-Y639 HydrophobicContact CB-CE1 4.49Å; K637-Y639 HydrophobicContact CB-CE2 4.12Å; K637-Y639 HydrophobicContact CD-CE1 4.37Å; K637-Y639 VanDerWaalsContact CD-OH 3.31Å; K637-Y639 WeakPolarHBondContact CD-OH 3.27Å
638	N	94.2	Very high	90.4	Very high	83 Å²	83	69.3 Å²	69.3	44%	0.444	33%	0.33	S	S	.	.			trans	-129	85.5	174.6	-177.7	-15.9	0	0	0	109	Y618 K636 D640 R641 V642	Y618-N638 PolarHBondContact OH-N 3.47Å; Y618-N638 PolarHBondContact OH-O 3.45Å; K636-N638 PolarHBondContact O-N 2.83Å; N638-D640 PolarHBondContact O-N 3.01Å; N638-D640 PolarHBondContact OD1-N 3.36Å; N638-R641 HydrophobicContact CB-CB 4.22Å; N638-R641 VanDerWaalsContact CG-CB 3.49Å; N638-R641 PolarHBondContact O-N 3.13Å; N638-R641 WeakPolarHBondContact OD1-CB 3.22Å; N638-R641 PolarHBondContact OD1-N 2.86Å; N638-V642 WeakPolarHBondContact O-CG2 3.44Å; N638-V642 PolarHBondContact O-N 3.23Å
639	Y	95.2	Very high	90.9	Very high	33 Å²	33	61.1 Å²	61.1	13%	0.129	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-33.7	-175.3	-54.9	-81.4	0	0	0	113	L606 K611 V612 F615 Y618 K637 V642 M643	L606-Y639 HydrophobicContact CD2-CD1 3.97Å; L606-Y639 HydrophobicContact CD2-CG 4.5Å; K611-Y639 HydrophobicContact CD-CD1 4.26Å; K611-Y639 HydrophobicContact CD-CG 4.12Å; K611-Y639 HydrophobicContact CG-CD1 4.17Å; K611-Y639 HydrophobicContact CG-CE1 4.37Å; K611-Y639 HydrophobicContact CG-CG 4.34Å; V612-Y639 HydrophobicContact CG2-CE2 4.16Å; F615-Y639 HydrophobicContact CD1-CD1 4.03Å; F615-Y639 HydrophobicContact CD1-CE1 4.11Å; Y618-Y639 HydrophobicContact CD2-CD1 4.43Å; Y618-Y639 HydrophobicContact CD2-CE1 4.12Å; Y618-Y639 HydrophobicContact CE2-CD1 4.2Å; Y618-Y639 HydrophobicContact CE2-CE1 4.25Å; K637-Y639 HydrophobicContact CB-CE1 4.49Å; K637-Y639 HydrophobicContact CB-CE2 4.12Å; K637-Y639 HydrophobicContact CD-CE1 4.37Å; K637-Y639 VanDerWaalsContact CD-OH 3.31Å; K637-Y639 WeakPolarHBondContact CD-OH 3.27Å; Y639-V642 PolarHBondContact O-N 3.48Å; Y639-M643 PolarHBondContact O-N 3.46Å
640	D	94.5	Very high	90.7	Very high	111 Å²	111	55.9 Å²	55.9	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-79.8	-30.4	-172.3	-45	-39.9	0	0	0	110.8	K611 N638 K644	K611-D640 IonicContact NZ-OD1 3.32Å; K611-D640 PolarHBondContact NZ-OD1 2.91Å; N638-D640 PolarHBondContact O-N 3.01Å; N638-D640 PolarHBondContact OD1-N 3.36Å; D640-K644 PolarHBondContact O-N 2.72Å
641	R	94.8	Very high	90.2	Very high	71 Å²	71	55.2 Å²	55.2	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-35.8	167.7	-176.3	66.9	-165.6	97.2	-11.4	112.5	F632 N638 A645 D671	F632-R641 HydrophobicContact CE1-CB 4.17Å; F632-R641 HydrophobicContact CE1-CG 3.73Å; F632-R641 HydrophobicContact CZ-CG 4.43Å; N638-R641 HydrophobicContact CB-CB 4.22Å; N638-R641 VanDerWaalsContact CG-CB 3.49Å; N638-R641 PolarHBondContact O-N 3.13Å; N638-R641 WeakPolarHBondContact OD1-CB 3.22Å; N638-R641 PolarHBondContact OD1-N 2.86Å; R641-A645 PolarHBondContact O-N 3.37Å; R641-D671 IonicContact CZ-OD1 2.85Å; R641-D671 IonicContact CZ-OD2 3.07Å; R641-D671 VanDerWaalsContact CZ-OD2 3.3Å; R641-D671 IonicContact NH1-OD1 3.31Å; R641-D671 PolarHBondContact NH1-OD1 3.11Å; R641-D671 IonicContact NH1-OD2 3.72Å; R641-D671 PolarHBondContact NH1-OD2 2.85Å; R641-D671 VanDerWaalsContact NH2-CG 3.31Å; R641-D671 IonicContact NH2-OD1 3.96Å; R641-D671 PolarHBondContact NH2-OD1 3.31Å; R641-D671 IonicContact NH2-OD2 2.7Å; R641-D671 PolarHBondContact NH2-OD2 3.4Å; R641-D671 VanDerWaalsContact NH2-OD2 3.09Å
642	V	95.3	Very high	89.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-48.9	173.4	-179.6	0	0	0	0	110	L606 F615 Y618 P619 F632 N638 Y639 K644 A645 L646 L677	L606-V642 HydrophobicContact CD1-CB 4.39Å; L606-V642 HydrophobicContact CD1-CG1 3.66Å; L606-V642 HydrophobicContact CD2-CB 4.38Å; L606-V642 HydrophobicContact CD2-CG1 4.36Å; F615-V642 HydrophobicContact CE1-CG1 4.3Å; F615-V642 HydrophobicContact CZ-CG1 4.18Å; Y618-V642 HydrophobicContact CE2-CG2 4.04Å; Y618-V642 WeakPolarHBondContact OH-CG2 3.44Å; P619-V642 HydrophobicContact CG-CG1 4.08Å; P619-V642 HydrophobicContact CG-CG2 4.23Å; F632-V642 HydrophobicContact CD1-CG2 3.44Å; F632-V642 VanDerWaalsContact CD1-CG2 3.44Å; F632-V642 HydrophobicContact CD2-CG2 4.47Å; F632-V642 HydrophobicContact CE1-CB 4.06Å; F632-V642 HydrophobicContact CE1-CG2 3.38Å; F632-V642 HydrophobicContact CE2-CG2 4.47Å; F632-V642 HydrophobicContact CG-CG2 4.02Å; F632-V642 HydrophobicContact CZ-CB 4.29Å; F632-V642 HydrophobicContact CZ-CG2 3.96Å; N638-V642 WeakPolarHBondContact O-CG2 3.44Å; N638-V642 PolarHBondContact O-N 3.23Å; Y639-V642 PolarHBondContact O-N 3.48Å; V642-K644 VanDerWaalsContact C-N 3.31Å; V642-K644 PolarHBondContact O-N 2.65Å; V642-A645 PolarHBondContact O-N 2.64Å; V642-A645 VanDerWaalsContact O-N 3.12Å; V642-L646 WeakPolarHBondContact O-CB 3.48Å; V642-L646 PolarHBondContact O-N 2.93Å; V642-L677 HydrophobicContact CG1-CD1 4.24Å; V642-L677 HydrophobicContact CG1-CD2 3.97Å
643	M	94.4	Very high	88.3	Confident	39 Å²	39	59.9 Å²	59.9	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-46.1	178.1	-170.5	70.3	-175.8	0	0	111.4	R603 L606 E607 Y639 A645 L646 D647	R603-M643 HydrophobicContact CG-CE 3.98Å; R603-M643 HydrophobicContact CG-SD 4.43Å; L606-M643 HydrophobicContact CB-SD 4.17Å; E607-M643 HydrophobicContact CG-CE 3.9Å; E607-M643 HydrophobicContact CG-SD 4.47Å; E607-M643 WeakPolarHBondContact OE1-CE 3.44Å; Y639-M643 PolarHBondContact O-N 3.46Å; M643-A645 PolarHBondContact O-N 3.05Å; M643-L646 WeakPolarHBondContact O-CB 3.48Å; M643-L646 PolarHBondContact O-N 2.9Å; M643-L646 VanDerWaalsContact O-N 3.17Å; M643-D647 PolarHBondContact O-N 3.08Å
644	K	94.3	Very high	87.4	Confident	126 Å²	126	62.4 Å²	62.4	55%	0.548	29%	0.287	S	S	.	.	H	α-helix	trans	-56.3	-48	175.3	-176.4	-175.2	171.4	-171.5	0	112.5	D640 V642 L646 D647 S648	D640-K644 PolarHBondContact O-N 2.72Å; V642-K644 VanDerWaalsContact C-N 3.31Å; V642-K644 PolarHBondContact O-N 2.65Å; K644-L646 VanDerWaalsContact C-N 3.32Å; K644-L646 PolarHBondContact O-N 3.13Å; K644-D647 PolarHBondContact O-N 2.87Å; K644-S648 PolarHBondContact O-N 2.86Å; K644-S648 PolarHBondContact O-OG 2.93Å
645	A	93.5	Very high	86.7	Confident	0 Å²	0	62 Å²	62	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-35.7	178.9	0	0	0	0	0	112	F632 R641 V642 M643 S648 I649 L673 L677	F632-A645 HydrophobicContact CE2-CB 4.35Å; F632-A645 HydrophobicContact CZ-CB 3.89Å; R641-A645 PolarHBondContact O-N 3.37Å; V642-A645 PolarHBondContact O-N 2.64Å; V642-A645 VanDerWaalsContact O-N 3.12Å; M643-A645 PolarHBondContact O-N 3.05Å; A645-S648 PolarHBondContact O-N 3.36Å; A645-I649 PolarHBondContact O-N 2.98Å; A645-L673 HydrophobicContact CB-CB 3.96Å; A645-L677 HydrophobicContact CB-CD2 3.78Å
646	L	91.8	Very high	85.7	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-33	177.4	-159.4	82.2	0	0	0	112.6	V599 C602 R603 L606 V642 M643 K644 S648 I649 L677	V599-L646 HydrophobicContact CG1-CD1 4.36Å; V599-L646 HydrophobicContact CG1-CG 4.45Å; C602-L646 HydrophobicContact CB-CD1 4.35Å; C602-L646 HydrophobicContact CB-CD2 4.47Å; R603-L646 HydrophobicContact CB-CD2 3.59Å; R603-L646 HydrophobicContact CG-CD2 4.25Å; R603-L646 VanDerWaalsContact NH2-C 3.34Å; R603-L646 PolarHBondContact NH2-O 2.85Å; L606-L646 HydrophobicContact CD1-CD2 4.07Å; V642-L646 WeakPolarHBondContact O-CB 3.48Å; V642-L646 PolarHBondContact O-N 2.93Å; M643-L646 WeakPolarHBondContact O-CB 3.48Å; M643-L646 PolarHBondContact O-N 2.9Å; M643-L646 VanDerWaalsContact O-N 3.17Å; K644-L646 VanDerWaalsContact C-N 3.32Å; K644-L646 PolarHBondContact O-N 3.13Å; L646-S648 VanDerWaalsContact C-N 3.29Å; L646-I649 HydrophobicContact CD1-CD1 3.76Å; L646-I649 HydrophobicContact CG-CD1 4.37Å; L646-I649 WeakPolarHBondContact O-CB 3.43Å; L646-I649 PolarHBondContact O-N 3.41Å; L646-L677 HydrophobicContact CB-CD2 4.06Å; L646-L677 HydrophobicContact CD1-CD2 3.9Å; L646-L677 HydrophobicContact CD1-CG 4.38Å
647	D	91	Very high	84.6	Confident	81 Å²	81	55 Å²	55	43%	0.433	27%	0.266	S	S	.	.	H	α-helix	trans	-77.9	-12.9	173.7	-70.7	-21.9	0	0	0	113.1	R603 M643 K644	R603-D647 IonicContact CZ-OD1 2.63Å; R603-D647 IonicContact NE-OD1 2.89Å; R603-D647 PolarHBondContact NE-OD1 2.7Å; R603-D647 IonicContact NH2-OD1 3.26Å; R603-D647 PolarHBondContact NH2-OD1 3.34Å; M643-D647 PolarHBondContact O-N 3.08Å; K644-D647 PolarHBondContact O-N 2.87Å
648	S	91.3	Very high	83.4	Confident	18 Å²	18	54 Å²	54	13%	0.126	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.8	169.1	-63.9	0	0	0	0	114	K644 A645 L646 T650 A674	K644-S648 PolarHBondContact O-N 2.86Å; K644-S648 PolarHBondContact O-OG 2.93Å; A645-S648 PolarHBondContact O-N 3.36Å; L646-S648 VanDerWaalsContact C-N 3.29Å; S648-T650 PolarHBondContact O-N 3.12Å; S648-A674 WeakPolarHBondContact O-CB 3.18Å
649	I	86.4	Confident	82.2	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.077	28%	0.278	C	S	.	.	S	Bend	trans	-74.1	117.6	169.9	-68.5	176.8	0	0	0	109.2	V599 A645 L646 M667 A674 L678	V599-I649 HydrophobicContact CG2-CD1 4.49Å; A645-I649 PolarHBondContact O-N 2.98Å; L646-I649 HydrophobicContact CD1-CD1 3.76Å; L646-I649 HydrophobicContact CG-CD1 4.37Å; L646-I649 WeakPolarHBondContact O-CB 3.43Å; L646-I649 PolarHBondContact O-N 3.41Å; I649-M667 HydrophobicContact CB-CE 4.23Å; I649-M667 HydrophobicContact CG1-CE 4.01Å; I649-M667 HydrophobicContact CG2-CE 4.1Å; I649-A674 HydrophobicContact CG1-CB 4.3Å; I649-L678 HydrophobicContact CD1-CB 4.05Å; I649-L678 HydrophobicContact CD1-CD1 4.37Å; I649-L678 HydrophobicContact CG1-CB 4.44Å; I649-L678 HydrophobicContact CG2-CD1 4.27Å; I649-L678 HydrophobicContact CG2-CD2 4.29Å
650	T	79.6	Confident	80.9	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-51.4	139.8	170.5	-61.7	0	0	0	0	111	S648 E654 M655 I663 M667	S648-T650 PolarHBondContact O-N 3.12Å; T650-E654 HydrophobicContact CG2-CB 3.55Å; T650-M655 HydrophobicContact CG2-CG 4.22Å; T650-I663 HydrophobicContact CG2-CG2 4.45Å; T650-M667 VanDerWaalsContact OG1-CG 3.25Å; T650-M667 WeakPolarHBondContact OG1-CG 3.44Å
651	S	75.4	Confident	79.8	Confident	14 Å²	14	58.7 Å²	58.7	10%	0.098	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.7	147.1	-176.2	73.5	0	0	0	0	111.2	R653 E654 M655	S651-R653 PolarHBondContact O-N 3.25Å; S651-R653 VanDerWaalsContact O-N 3.08Å; S651-E654 VanDerWaalsContact CB-OE2 3.26Å; S651-E654 WeakPolarHBondContact CB-OE2 3.4Å; S651-E654 PolarHBondContact N-OE2 2.83Å; S651-E654 WeakPolarHBondContact O-CB 3.38Å; S651-E654 PolarHBondContact O-N 3.3Å; S651-E654 WeakPolarHBondContact OG-CG 3.18Å; S651-E654 PolarHBondContact OG-OE2 3.3Å; S651-M655 WeakPolarHBondContact O-CG 3.42Å; S651-M655 PolarHBondContact O-N 3.06Å
652	I	72.6	Confident	79	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-25.6	-175	-45.7	-53.8	0	0	0	111.8	A592 V595 D596 M655 T656	A592-I652 HydrophobicContact CB-CG2 3.52Å; V595-I652 HydrophobicContact CB-CD1 4.17Å; V595-I652 HydrophobicContact CB-CG1 4.45Å; V595-I652 HydrophobicContact CG1-CD1 3.65Å; V595-I652 HydrophobicContact CG1-CG1 4.43Å; D596-I652 HydrophobicContact CB-CG1 3.79Å; I652-M655 HydrophobicContact CD1-SD 3.58Å; I652-M655 VanDerWaalsContact CD1-SD 3.58Å; I652-M655 WeakPolarHBondContact O-CB 3.29Å; I652-M655 PolarHBondContact O-N 3.43Å; I652-T656 WeakPolarHBondContact O-CG2 3.43Å; I652-T656 PolarHBondContact O-N 2.92Å; I652-T656 PolarHBondContact O-OG1 3.39Å
653	R	66.1	Low	78.1	Confident	119 Å²	119	59 Å²	59	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-52.1	169.8	-177.5	-178.7	-179.5	178	4.5	111.7	S651 M655 T656 Q657 S814	S651-R653 PolarHBondContact O-N 3.25Å; S651-R653 VanDerWaalsContact O-N 3.08Å; R653-M655 VanDerWaalsContact C-N 3.27Å; R653-M655 PolarHBondContact O-N 3.01Å; R653-T656 PolarHBondContact O-N 2.91Å; R653-T656 VanDerWaalsContact O-N 3.16Å; R653-T656 PolarHBondContact O-OG1 2.93Å; R653-Q657 VanDerWaalsContact O-CG 3.31Å; R653-Q657 WeakPolarHBondContact O-CG 3.44Å; R653-Q657 PolarHBondContact O-N 3.22Å; R653-S814 PolarHBondContact NH1-OG 3.35Å
654	E	68.6	Low	77.4	Confident	94 Å²	94	60.5 Å²	60.5	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-36.9	176.6	-67	155	146	0	0	110.5	T650 S651 T656 Q657	T650-E654 HydrophobicContact CG2-CB 3.55Å; S651-E654 VanDerWaalsContact CB-OE2 3.26Å; S651-E654 WeakPolarHBondContact CB-OE2 3.4Å; S651-E654 PolarHBondContact N-OE2 2.83Å; S651-E654 WeakPolarHBondContact O-CB 3.38Å; S651-E654 PolarHBondContact O-N 3.3Å; S651-E654 WeakPolarHBondContact OG-CG 3.18Å; S651-E654 PolarHBondContact OG-OE2 3.3Å; E654-T656 VanDerWaalsContact C-N 3.28Å; E654-T656 PolarHBondContact O-N 2.78Å; E654-Q657 PolarHBondContact O-N 3.29Å; E654-Q657 VanDerWaalsContact O-N 3.1Å
655	M	71.5	Confident	76.9	Confident	43 Å²	43	59.8 Å²	59.8	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-31.1	173.6	-61.3	-170.4	58.4	0	0	114.1	T650 S651 I652 R653 Q657 I663 L678	T650-M655 HydrophobicContact CG2-CG 4.22Å; S651-M655 WeakPolarHBondContact O-CG 3.42Å; S651-M655 PolarHBondContact O-N 3.06Å; I652-M655 HydrophobicContact CD1-SD 3.58Å; I652-M655 VanDerWaalsContact CD1-SD 3.58Å; I652-M655 WeakPolarHBondContact O-CB 3.29Å; I652-M655 PolarHBondContact O-N 3.43Å; R653-M655 VanDerWaalsContact C-N 3.27Å; R653-M655 PolarHBondContact O-N 3.01Å; M655-Q657 VanDerWaalsContact C-N 3.34Å; M655-I663 VanDerWaalsContact CA-CD1 3.5Å; M655-I663 HydrophobicContact CB-CD1 4.29Å; M655-I663 HydrophobicContact CB-CG2 4.49Å; M655-I663 HydrophobicContact CE-CG2 4.39Å; M655-I663 HydrophobicContact CG-CG2 3.85Å; M655-I663 WeakPolarHBondContact O-CD1 3.42Å; M655-L678 HydrophobicContact CE-CD2 3.7Å; M655-L678 HydrophobicContact SD-CD2 3.64Å
656	T	66.4	Low	76.4	Confident	98 Å²	98	63.6 Å²	63.6	60%	0.601	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	175.8	54.8	0	0	0	0	114.2	A592 I652 R653 E654	A592-T656 HydrophobicContact CB-CG2 4.14Å; I652-T656 WeakPolarHBondContact O-CG2 3.43Å; I652-T656 PolarHBondContact O-N 2.92Å; I652-T656 PolarHBondContact O-OG1 3.39Å; R653-T656 PolarHBondContact O-N 2.91Å; R653-T656 VanDerWaalsContact O-N 3.16Å; R653-T656 PolarHBondContact O-OG1 2.93Å; E654-T656 VanDerWaalsContact C-N 3.28Å; E654-T656 PolarHBondContact O-N 2.78Å
657	Q	67.2	Low	76	Confident	134 Å²	134	63.7 Å²	63.7	63%	0.626	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-3.6	-172.9	-73.8	-176.6	-25.6	0	0	114.4	R653 E654 M655	R653-Q657 VanDerWaalsContact O-CG 3.31Å; R653-Q657 WeakPolarHBondContact O-CG 3.44Å; R653-Q657 PolarHBondContact O-N 3.22Å; E654-Q657 PolarHBondContact O-N 3.29Å; E654-Q657 VanDerWaalsContact O-N 3.1Å; M655-Q657 VanDerWaalsContact C-N 3.34Å
658	A	67.3	Low	75.8	Confident	37 Å²	37	62.5 Å²	62.5	31%	0.306	31%	0.312	S	S	.	.	S	Bend	trans	-140.4	162.9	-178.6	0	0	0	0	0	111.7	I663	A658-I663 HydrophobicContact CB-CD1 4.05Å; A658-I663 HydrophobicContact CB-CG1 3.96Å; A658-I663 WeakPolarHBondContact O-CD1 3.36Å
659	P	68.1	Low	75.6	Confident	98 Å²	98	70.7 Å²	70.7	64%	0.636	35%	0.345	S	S	*	.			trans	-64.4	138.8	172.2	-21.7	34.1	0	0	0	111.9	L661 E662 I663	P659-L661 PolarHBondContact O-N 3.39Å; P659-L661 VanDerWaalsContact O-N 3.11Å; P659-E662 WeakPolarHBondContact O-CB 3.29Å; P659-E662 PolarHBondContact O-N 2.8Å; P659-I663 PolarHBondContact O-N 3.02Å
660	Y	68.9	Low	75.8	Confident	111 Å²	111	75.4 Å²	75.4	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-49.2	-40.7	-177.2	174.1	-123.4	0	0	0	114.3	E662 I663 K664 H675	Y660-E662 VanDerWaalsContact C-N 3.28Å; Y660-E662 PolarHBondContact O-N 3.08Å; Y660-I663 PolarHBondContact O-N 2.85Å; Y660-K664 WeakPolarHBondContact O-CB 3.31Å; Y660-K664 PolarHBondContact O-N 2.85Å; Y660-H675 AromaticContact CE2-NE2 3.7Å; Y660-H675 AromaticContact CZ-NE2 3.52Å; Y660-H675 PolarHBondContact OH-NE2 3.23Å
661	L	71.8	Confident	76.3	Confident	115 Å²	115	75.1 Å²	75.1	60%	0.602	37%	0.365	S	S	*	.	H	α-helix	trans	-64.3	-30.1	179	-176.7	61.4	0	0	0	113.3	P659 K665	P659-L661 PolarHBondContact O-N 3.39Å; P659-L661 VanDerWaalsContact O-N 3.11Å; L661-K665 WeakPolarHBondContact O-CG 3.36Å; L661-K665 PolarHBondContact O-N 2.87Å
662	E	78.1	Confident	77.1	Confident	73 Å²	73	77 Å²	77	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-80.6	-41.4	177.3	-177.7	51.3	-146.8	0	0	111.1	P659 Y660 K664 K665 Q666	P659-E662 WeakPolarHBondContact O-CB 3.29Å; P659-E662 PolarHBondContact O-N 2.8Å; Y660-E662 VanDerWaalsContact C-N 3.28Å; Y660-E662 PolarHBondContact O-N 3.08Å; E662-K664 VanDerWaalsContact C-N 3.3Å; E662-K664 PolarHBondContact O-N 2.82Å; E662-K665 PolarHBondContact O-N 2.91Å; E662-K665 WeakPolarHBondContact OE2-CD 3.36Å; E662-K665 IonicContact OE2-NZ 3.83Å; E662-Q666 WeakPolarHBondContact O-CG 3.44Å; E662-Q666 PolarHBondContact O-N 2.9Å; E662-Q666 PolarHBondContact OE1-NE2 2.87Å
663	I	76.2	Confident	77.9	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-55.5	-46.2	170.5	-69.3	148	0	0	0	110.8	T650 M655 A658 P659 Y660 Q666 M667	T650-I663 HydrophobicContact CG2-CG2 4.45Å; M655-I663 VanDerWaalsContact CA-CD1 3.5Å; M655-I663 HydrophobicContact CB-CD1 4.29Å; M655-I663 HydrophobicContact CB-CG2 4.49Å; M655-I663 HydrophobicContact CE-CG2 4.39Å; M655-I663 HydrophobicContact CG-CG2 3.85Å; M655-I663 WeakPolarHBondContact O-CD1 3.42Å; A658-I663 HydrophobicContact CB-CD1 4.05Å; A658-I663 HydrophobicContact CB-CG1 3.96Å; A658-I663 WeakPolarHBondContact O-CD1 3.36Å; P659-I663 PolarHBondContact O-N 3.02Å; Y660-I663 PolarHBondContact O-N 2.85Å; I663-Q666 WeakPolarHBondContact O-CB 3.45Å; I663-Q666 PolarHBondContact O-N 2.89Å; I663-Q666 VanDerWaalsContact O-N 3.14Å; I663-M667 HydrophobicContact CG2-SD 4.08Å; I663-M667 WeakPolarHBondContact O-CG 3.41Å; I663-M667 PolarHBondContact O-N 3.35Å
664	K	80.1	Confident	79.1	Confident	71 Å²	71	71 Å²	71	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-58	-50.3	176.7	177.5	168.2	-177.9	166.1	0	111.6	Y660 E662 Q666 M667 D668 H675	Y660-K664 WeakPolarHBondContact O-CB 3.31Å; Y660-K664 PolarHBondContact O-N 2.85Å; E662-K664 VanDerWaalsContact C-N 3.3Å; E662-K664 PolarHBondContact O-N 2.82Å; K664-Q666 PolarHBondContact O-N 3.4Å; K664-M667 WeakPolarHBondContact O-CB 3.27Å; K664-M667 PolarHBondContact O-N 2.72Å; K664-M667 VanDerWaalsContact O-N 3.07Å; K664-D668 WeakPolarHBondContact CE-OD2 3.33Å; K664-D668 WeakPolarHBondContact CG-OD2 3.28Å; K664-D668 WeakPolarHBondContact O-CB 3.26Å; K664-D668 PolarHBondContact O-N 2.93Å; K664-H675 WeakPolarHBondContact CE-ND1 3.5Å; K664-H675 HydrophobicContact CG-CB 4.33Å; K664-H675 PolarHBondContact NZ-ND1 2.97Å
665	K	82.5	Confident	79.8	Confident	112 Å²	112	66.8 Å²	66.8	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-56.6	-36.4	175.9	-69	166.4	-168.7	167.4	0	112.6	L661 E662 K669	L661-K665 WeakPolarHBondContact O-CG 3.36Å; L661-K665 PolarHBondContact O-N 2.87Å; E662-K665 PolarHBondContact O-N 2.91Å; E662-K665 WeakPolarHBondContact OE2-CD 3.36Å; E662-K665 IonicContact OE2-NZ 3.83Å; K665-K669 WeakPolarHBondContact O-CB 3.42Å; K665-K669 PolarHBondContact O-N 3.46Å
666	Q	82.6	Confident	80.5	Confident	80 Å²	80	65.5 Å²	65.5	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-72.9	-31.7	178.4	-68.4	172.8	16.7	0	0	112.9	E662 I663 K664 Q670	E662-Q666 WeakPolarHBondContact O-CG 3.44Å; E662-Q666 PolarHBondContact O-N 2.9Å; E662-Q666 PolarHBondContact OE1-NE2 2.87Å; I663-Q666 WeakPolarHBondContact O-CB 3.45Å; I663-Q666 PolarHBondContact O-N 2.89Å; I663-Q666 VanDerWaalsContact O-N 3.14Å; K664-Q666 PolarHBondContact O-N 3.4Å; Q666-Q670 WeakPolarHBondContact O-CG 3.49Å; Q666-Q670 PolarHBondContact O-NE2 3.02Å
667	M	84.4	Confident	81.5	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-70.9	-52.4	170	-65.9	174.7	83.4	0	0	110.8	I649 T650 I663 K664 K669 Q670 D671 A674 H675 L678	I649-M667 HydrophobicContact CB-CE 4.23Å; I649-M667 HydrophobicContact CG1-CE 4.01Å; I649-M667 HydrophobicContact CG2-CE 4.1Å; T650-M667 VanDerWaalsContact OG1-CG 3.25Å; T650-M667 WeakPolarHBondContact OG1-CG 3.44Å; I663-M667 HydrophobicContact CG2-SD 4.08Å; I663-M667 WeakPolarHBondContact O-CG 3.41Å; I663-M667 PolarHBondContact O-N 3.35Å; K664-M667 WeakPolarHBondContact O-CB 3.27Å; K664-M667 PolarHBondContact O-N 2.72Å; K664-M667 VanDerWaalsContact O-N 3.07Å; M667-K669 PolarHBondContact O-N 3.07Å; M667-Q670 PolarHBondContact O-N 3.26Å; M667-D671 PolarHBondContact O-N 3Å; M667-A674 HydrophobicContact CB-CB 4.23Å; M667-A674 HydrophobicContact CE-CB 4.14Å; M667-A674 WeakPolarHBondContact CE-O 3.17Å; M667-H675 HydrophobicContact CB-CB 4.19Å; M667-H675 HydrophobicContact CE-CB 4.25Å; M667-H675 HydrophobicContact SD-CB 4.12Å; M667-L678 HydrophobicContact CE-CB 4Å; M667-L678 HydrophobicContact CE-CD2 3.72Å; M667-L678 HydrophobicContact SD-CD2 4.32Å
668	D	85.8	Confident	82.3	Confident	56 Å²	56	54.7 Å²	54.7	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-58.1	-33.9	-178.3	-65	-12.3	0	0	0	112	K664	K664-D668 WeakPolarHBondContact CE-OD2 3.33Å; K664-D668 WeakPolarHBondContact CG-OD2 3.28Å; K664-D668 WeakPolarHBondContact O-CB 3.26Å; K664-D668 PolarHBondContact O-N 2.93Å
669	K	89	Confident	82.9	Confident	191 Å²	191	54.2 Å²	54.2	83%	0.83	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.7	174.8	-178	176.3	178.1	-178.2	0	114.1	K665 M667	K665-K669 WeakPolarHBondContact O-CB 3.42Å; K665-K669 PolarHBondContact O-N 3.46Å; M667-K669 PolarHBondContact O-N 3.07Å
670	Q	89.3	Confident	83.7	Confident	114 Å²	114	50.5 Å²	50.5	53%	0.533	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-50	176.2	-71.1	176	86.4	0	0	111.1	Q666 M667	Q666-Q670 WeakPolarHBondContact O-CG 3.49Å; Q666-Q670 PolarHBondContact O-NE2 3.02Å; M667-Q670 PolarHBondContact O-N 3.26Å
671	D	91.4	Very high	84.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.011	22%	0.216	C	C	.	.			trans	-155.1	117.8	174.1	-167	-45.2	0	0	0	109.5	R641 M667 L673 A674	R641-D671 IonicContact CZ-OD1 2.85Å; R641-D671 IonicContact CZ-OD2 3.07Å; R641-D671 VanDerWaalsContact CZ-OD2 3.3Å; R641-D671 IonicContact NH1-OD1 3.31Å; R641-D671 PolarHBondContact NH1-OD1 3.11Å; R641-D671 IonicContact NH1-OD2 3.72Å; R641-D671 PolarHBondContact NH1-OD2 2.85Å; R641-D671 VanDerWaalsContact NH2-CG 3.31Å; R641-D671 IonicContact NH2-OD1 3.96Å; R641-D671 PolarHBondContact NH2-OD1 3.31Å; R641-D671 IonicContact NH2-OD2 2.7Å; R641-D671 PolarHBondContact NH2-OD2 3.4Å; R641-D671 VanDerWaalsContact NH2-OD2 3.09Å; M667-D671 PolarHBondContact O-N 3Å; D671-L673 PolarHBondContact O-N 2.76Å; D671-L673 WeakPolarHBondContact OD1-CB 3.34Å; D671-L673 PolarHBondContact OD1-N 3.27Å; D671-A674 HydrophobicContact CB-CB 4.3Å; D671-A674 VanDerWaalsContact O-CB 3.3Å; D671-A674 WeakPolarHBondContact O-CB 3.33Å; D671-A674 PolarHBondContact O-N 3.28Å
672	P	90.4	Very high	84.7	Confident	54 Å²	54	41.6 Å²	41.6	35%	0.351	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.3	178	-28.9	36.3	0	0	0	115.4	P624 P676	P624-P672 HydrophobicContact CG-CB 4.28Å; P624-P672 WeakPolarHBondContact CG-O 3.5Å; P672-P676 VanDerWaalsContact O-CD 3.27Å; P672-P676 WeakPolarHBondContact O-CD 3.36Å
673	L	90.9	Very high	84.4	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.1	174.4	-56.7	-173.6	0	0	0	113.9	P624 A631 F632 A645 D671 L677	P624-L673 VanDerWaalsContact CD-CD2 3.45Å; P624-L673 HydrophobicContact CG-CD2 4.2Å; A631-L673 HydrophobicContact CB-CD1 3.68Å; A631-L673 HydrophobicContact CB-CD2 3.64Å; A631-L673 HydrophobicContact CB-CG 4.33Å; F632-L673 HydrophobicContact CE1-CD1 4.02Å; F632-L673 HydrophobicContact CE2-CB 4.05Å; F632-L673 HydrophobicContact CE2-CD1 3.94Å; F632-L673 HydrophobicContact CZ-CB 4.17Å; F632-L673 HydrophobicContact CZ-CD1 3.59Å; A645-L673 HydrophobicContact CB-CB 3.96Å; D671-L673 PolarHBondContact O-N 2.76Å; D671-L673 WeakPolarHBondContact OD1-CB 3.34Å; D671-L673 PolarHBondContact OD1-N 3.27Å; L673-L677 WeakPolarHBondContact O-CB 3.47Å; L673-L677 PolarHBondContact O-N 2.95Å
674	A	89.8	Confident	84.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-46.3	-176.7	0	0	0	0	0	112.3	S648 I649 M667 D671 L678	S648-A674 WeakPolarHBondContact O-CB 3.18Å; I649-A674 HydrophobicContact CG1-CB 4.3Å; M667-A674 HydrophobicContact CB-CB 4.23Å; M667-A674 HydrophobicContact CE-CB 4.14Å; M667-A674 WeakPolarHBondContact CE-O 3.17Å; D671-A674 HydrophobicContact CB-CB 4.3Å; D671-A674 VanDerWaalsContact O-CB 3.3Å; D671-A674 WeakPolarHBondContact O-CB 3.33Å; D671-A674 PolarHBondContact O-N 3.28Å; A674-L678 WeakPolarHBondContact O-CB 3.46Å; A674-L678 PolarHBondContact O-N 3.11Å
675	H	85.2	Confident	84.1	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-49.5	176.9	172.9	-94.2	0	0	0	112.3	Y660 K664 M667 L677 L678 Q679	Y660-H675 AromaticContact CE2-NE2 3.7Å; Y660-H675 AromaticContact CZ-NE2 3.52Å; Y660-H675 PolarHBondContact OH-NE2 3.23Å; K664-H675 WeakPolarHBondContact CE-ND1 3.5Å; K664-H675 HydrophobicContact CG-CB 4.33Å; K664-H675 PolarHBondContact NZ-ND1 2.97Å; M667-H675 HydrophobicContact CB-CB 4.19Å; M667-H675 HydrophobicContact CE-CB 4.25Å; M667-H675 HydrophobicContact SD-CB 4.12Å; H675-L677 VanDerWaalsContact C-N 3.32Å; H675-L677 PolarHBondContact O-N 3.42Å; H675-L678 PolarHBondContact O-N 3Å; H675-L678 VanDerWaalsContact O-N 3.16Å; H675-Q679 PolarHBondContact CE1-OE1 3.19Å; H675-Q679 PolarHBondContact O-N 2.72Å
676	P	84.4	Confident	83.5	Confident	16 Å²	16	34.8 Å²	34.8	10%	0.104	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-36	172.2	-28.6	36.4	0	0	0	114.7	V621 P624 P672 W680	V621-P676 HydrophobicContact CG1-CB 3.5Å; P624-P676 HydrophobicContact CG-CG 4.27Å; P672-P676 VanDerWaalsContact O-CD 3.27Å; P672-P676 WeakPolarHBondContact O-CD 3.36Å; P676-W680 WeakPolarHBondContact O-CB 3.29Å; P676-W680 PolarHBondContact O-N 3.48Å
677	L	87.8	Confident	83.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-40.5	175.1	-178.6	59.8	0	0	0	111.7	P619 F632 V642 A645 L646 L673 H675 W680 V681	P619-L677 HydrophobicContact CB-CD1 4.05Å; P619-L677 HydrophobicContact CG-CD1 3.9Å; F632-L677 HydrophobicContact CD2-CD1 4.24Å; F632-L677 HydrophobicContact CE2-CB 4.18Å; F632-L677 HydrophobicContact CE2-CD1 4.06Å; F632-L677 HydrophobicContact CE2-CD2 4.21Å; F632-L677 HydrophobicContact CE2-CG 4.38Å; V642-L677 HydrophobicContact CG1-CD1 4.24Å; V642-L677 HydrophobicContact CG1-CD2 3.97Å; A645-L677 HydrophobicContact CB-CD2 3.78Å; L646-L677 HydrophobicContact CB-CD2 4.06Å; L646-L677 HydrophobicContact CD1-CD2 3.9Å; L646-L677 HydrophobicContact CD1-CG 4.38Å; L673-L677 WeakPolarHBondContact O-CB 3.47Å; L673-L677 PolarHBondContact O-N 2.95Å; H675-L677 VanDerWaalsContact C-N 3.32Å; H675-L677 PolarHBondContact O-N 3.42Å; L677-W680 HydrophobicContact CD1-CE3 4.2Å; L677-W680 PolarHBondContact O-N 2.84Å; L677-V681 HydrophobicContact CD1-CG2 4.41Å; L677-V681 WeakPolarHBondContact O-CG2 3.47Å; L677-V681 PolarHBondContact O-N 2.72Å
678	L	85.1	Confident	82.6	Confident	5 Å²	5	32 Å²	32	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-47.2	175.3	-179.7	61.4	0	0	0	111.3	V595 V599 I649 M655 M667 A674 H675 W680 V681 I682	V595-L678 HydrophobicContact CG1-CD1 3.83Å; V599-L678 HydrophobicContact CG2-CD1 3.8Å; I649-L678 HydrophobicContact CD1-CB 4.05Å; I649-L678 HydrophobicContact CD1-CD1 4.37Å; I649-L678 HydrophobicContact CG1-CB 4.44Å; I649-L678 HydrophobicContact CG2-CD1 4.27Å; I649-L678 HydrophobicContact CG2-CD2 4.29Å; M655-L678 HydrophobicContact CE-CD2 3.7Å; M655-L678 HydrophobicContact SD-CD2 3.64Å; M667-L678 HydrophobicContact CE-CB 4Å; M667-L678 HydrophobicContact CE-CD2 3.72Å; M667-L678 HydrophobicContact SD-CD2 4.32Å; A674-L678 WeakPolarHBondContact O-CB 3.46Å; A674-L678 PolarHBondContact O-N 3.11Å; H675-L678 PolarHBondContact O-N 3Å; H675-L678 VanDerWaalsContact O-N 3.16Å; L678-W680 VanDerWaalsContact C-N 3.28Å; L678-W680 PolarHBondContact O-N 3.25Å; L678-V681 PolarHBondContact O-N 2.66Å; L678-V681 VanDerWaalsContact O-N 3.13Å; L678-I682 HydrophobicContact CD1-CD1 4.12Å; L678-I682 HydrophobicContact CD1-CG1 4.43Å; L678-I682 HydrophobicContact CG-CD1 4.11Å; L678-I682 WeakPolarHBondContact O-CG1 3.44Å; L678-I682 PolarHBondContact O-N 3.22Å
679	Q	78.7	Confident	82.3	Confident	28 Å²	28	29.9 Å²	29.9	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-42.8	173.5	-74	-170.3	-60	0	0	111.4	H675 S683	H675-Q679 PolarHBondContact CE1-OE1 3.19Å; H675-Q679 PolarHBondContact O-N 2.72Å; Q679-S683 VanDerWaalsContact O-CB 3.29Å; Q679-S683 WeakPolarHBondContact O-CB 3.33Å; Q679-S683 PolarHBondContact O-N 3.13Å; Q679-S683 PolarHBondContact O-OG 3.13Å
680	W	84.5	Confident	81.8	Confident	19 Å²	19	23.7 Å²	23.7	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-44.6	174	-179.1	89.2	0	0	0	112.4	P617 P619 V621 P676 L677 L678 I682 S684	P617-W680 HydrophobicContact CG-CZ2 4.48Å; P617-W680 WeakPolarHBondContact O-CH2 3.17Å; P619-W680 VanDerWaalsContact CA-CZ2 3.44Å; P619-W680 HydrophobicContact CB-CD2 4.05Å; P619-W680 HydrophobicContact CB-CE3 4Å; P619-W680 HydrophobicContact CB-CH2 4.24Å; P619-W680 HydrophobicContact CB-CZ2 4.32Å; P619-W680 HydrophobicContact CB-CZ3 4.11Å; P619-W680 HydrophobicContact CG-CD2 4.46Å; P619-W680 HydrophobicContact CG-CE3 3.95Å; P619-W680 HydrophobicContact CG-CH2 3.85Å; P619-W680 HydrophobicContact CG-CZ2 4.42Å; P619-W680 HydrophobicContact CG-CZ3 3.63Å; V621-W680 HydrophobicContact CG2-CB 3.84Å; V621-W680 HydrophobicContact CG2-CG 4.04Å; P676-W680 WeakPolarHBondContact O-CB 3.29Å; P676-W680 PolarHBondContact O-N 3.48Å; L677-W680 HydrophobicContact CD1-CE3 4.2Å; L677-W680 PolarHBondContact O-N 2.84Å; L678-W680 VanDerWaalsContact C-N 3.28Å; L678-W680 PolarHBondContact O-N 3.25Å; W680-I682 VanDerWaalsContact C-N 3.27Å; W680-I682 PolarHBondContact O-N 3.29Å; W680-S684 WeakPolarHBondContact CZ2-OG 3.32Å; W680-S684 PolarHBondContact NE1-OG 2.97Å; W680-S684 WeakPolarHBondContact O-CB 3.31Å; W680-S684 PolarHBondContact O-N 3.11Å; W680-S684 PolarHBondContact O-OG 3.09Å
681	V	84.7	Confident	81.4	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-39.9	179.6	165.4	0	0	0	0	111.6	L598 V599 C602 L677 L678 R746	L598-V681 HydrophobicContact CB-CG1 3.82Å; V599-V681 HydrophobicContact CG2-CG1 4.14Å; C602-V681 HydrophobicContact CB-CG2 4.43Å; L677-V681 HydrophobicContact CD1-CG2 4.41Å; L677-V681 WeakPolarHBondContact O-CG2 3.47Å; L677-V681 PolarHBondContact O-N 2.72Å; L678-V681 PolarHBondContact O-N 2.66Å; L678-V681 VanDerWaalsContact O-N 3.13Å; V681-R746 PolarHBondContact O-NH2 3.31Å
682	I	77.7	Confident	80.9	Confident	38 Å²	38	21.6 Å²	21.6	20%	0.195	12%	0.116	C	C	.	.	H	α-helix	trans	-73.6	-60.7	176.7	-60.5	165.8	0	0	0	110.7	V595 L678 W680 S684 N685	V595-I682 HydrophobicContact CG1-CD1 3.84Å; V595-I682 HydrophobicContact CG1-CG1 4.03Å; V595-I682 HydrophobicContact CG2-CD1 4.23Å; V595-I682 HydrophobicContact CG2-CG1 4.43Å; L678-I682 HydrophobicContact CD1-CD1 4.12Å; L678-I682 HydrophobicContact CD1-CG1 4.43Å; L678-I682 HydrophobicContact CG-CD1 4.11Å; L678-I682 WeakPolarHBondContact O-CG1 3.44Å; L678-I682 PolarHBondContact O-N 3.22Å; W680-I682 VanDerWaalsContact C-N 3.27Å; W680-I682 PolarHBondContact O-N 3.29Å; I682-S684 PolarHBondContact O-N 3.49Å; I682-S684 VanDerWaalsContact O-N 3.13Å; I682-N685 WeakPolarHBondContact O-CB 3.49Å; I682-N685 PolarHBondContact O-N 3.3Å
683	S	71.8	Confident	80.3	Confident	25 Å²	25	22.3 Å²	22.3	18%	0.175	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-19	-172.6	58.8	0	0	0	0	115.4	Q679	Q679-S683 VanDerWaalsContact O-CB 3.29Å; Q679-S683 WeakPolarHBondContact O-CB 3.33Å; Q679-S683 PolarHBondContact O-N 3.13Å; Q679-S683 PolarHBondContact O-OG 3.13Å
684	S	76	Confident	79.9	Confident	22 Å²	22	28 Å²	28	15%	0.154	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.3	175.2	63	0	0	0	0	114.4	W680 I682 R686 R746	W680-S684 WeakPolarHBondContact CZ2-OG 3.32Å; W680-S684 PolarHBondContact NE1-OG 2.97Å; W680-S684 WeakPolarHBondContact O-CB 3.31Å; W680-S684 PolarHBondContact O-N 3.11Å; W680-S684 PolarHBondContact O-OG 3.09Å; I682-S684 PolarHBondContact O-N 3.49Å; I682-S684 VanDerWaalsContact O-N 3.13Å; S684-R686 PolarHBondContact O-N 3.11Å; S684-R746 VanDerWaalsContact O-CZ 3.23Å; S684-R746 PolarHBondContact O-NE 3.31Å; S684-R746 PolarHBondContact O-NH1 2.69Å; S684-R746 VanDerWaalsContact OG-CZ 3.24Å; S684-R746 PolarHBondContact OG-NH1 3.26Å; S684-R746 PolarHBondContact OG-NH2 3.37Å
685	N	73.7	Confident	79.5	Confident	23 Å²	23	34.5 Å²	34.5	12%	0.123	19%	0.189	C	C	.	.			trans	-70	120.5	158.7	169	41.5	0	0	0	109.1	L598 I682 S687 L745	L598-N685 HydrophobicContact CD1-CB 3.86Å; L598-N685 HydrophobicContact CD2-CB 3.98Å; I682-N685 WeakPolarHBondContact O-CB 3.49Å; I682-N685 PolarHBondContact O-N 3.3Å; N685-S687 PolarHBondContact ND2-O 3.03Å; N685-S687 PolarHBondContact OD1-N 3.28Å; N685-L745 PolarHBondContact OD1-O 3.11Å
686	R	70.9	Confident	79.4	Confident	48 Å²	48	37.8 Å²	37.8	18%	0.181	20%	0.202	C	C	.	.			trans	-89.3	-17.7	-177.1	-58.1	-148	169.2	106.4	-6.6	114.1	F555 M560 S684 L745 R746 N747	F555-R686 VanDerWaalsContact CD1-NH2 3.29Å; F555-R686 VanDerWaalsContact CZ-NH2 3.31Å; M560-R686 HydrophobicContact CE-CB 3.7Å; M560-R686 HydrophobicContact CE-CG 3.41Å; M560-R686 VanDerWaalsContact CE-CG 3.41Å; M560-R686 WeakPolarHBondContact SD-CD 3.37Å; M560-R686 HydrophobicContact SD-CG 3.96Å; M560-R686 PolarHBondContact SD-NE 3.31Å; S684-R686 PolarHBondContact O-N 3.11Å; R686-L745 PolarHBondContact N-O 2.72Å; R686-R746 WeakPolarHBondContact CD-O 3.27Å; R686-R746 HydrophobicContact CG-CB 4.43Å; R686-R746 WeakPolarHBondContact CG-O 3.44Å; R686-R746 PolarHBondContact NH1-O 3.33Å; R686-N747 PolarHBondContact NH1-OD1 2.94Å
687	S	73.1	Confident	79.6	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-90.6	136.8	-176.3	-57.3	0	0	0	0	111.4	N685 I689 L710 S711 L745	N685-S687 PolarHBondContact ND2-O 3.03Å; N685-S687 PolarHBondContact OD1-N 3.28Å; S687-I689 PolarHBondContact O-N 3.39Å; S687-L710 WeakPolarHBondContact CA-O 3.32Å; S687-S711 WeakPolarHBondContact OG-CA 3.45Å; S687-S711 WeakPolarHBondContact OG-CB 3.47Å; S687-L745 PolarHBondContact N-O 3.11Å; S687-L745 WeakPolarHBondContact OG-CA 3.45Å; S687-L745 PolarHBondContact OG-O 3Å
688	H	73.9	Confident	79.7	Confident	17 Å²	17	38.5 Å²	38.5	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	112	165.9	-173	-151	0	0	0	108.3	L561 V690 L710	L561-H688 HydrophobicContact CD2-CB 3.74Å; H688-V690 WeakPolarHBondContact NE2-CG2 3.33Å; H688-L710 HydrophobicContact CB-CB 4.33Å; H688-L710 PolarHBondContact N-O 3.28Å; H688-L710 PolarHBondContact O-N 3.44Å
689	I	80.3	Confident	79.8	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.8	-177.2	171	166.6	0	0	0	109.6	V594 L597 S687 F707 L708 L709 F856	V594-I689 HydrophobicContact CG1-CB 4.34Å; V594-I689 HydrophobicContact CG1-CD1 4.38Å; V594-I689 HydrophobicContact CG1-CG1 4.07Å; V594-I689 HydrophobicContact CG1-CG2 3.55Å; V594-I689 HydrophobicContact CG2-CG1 4.33Å; L597-I689 HydrophobicContact CD2-CD1 3.89Å; S687-I689 PolarHBondContact O-N 3.39Å; I689-F707 HydrophobicContact CD1-CB 4.2Å; I689-F707 HydrophobicContact CD1-CD1 4.35Å; I689-F707 HydrophobicContact CD1-CG 4.17Å; I689-F707 HydrophobicContact CG1-CB 3.87Å; I689-F707 HydrophobicContact CG1-CD1 4.08Å; I689-F707 HydrophobicContact CG1-CG 4.12Å; I689-L708 WeakPolarHBondContact CA-O 3.21Å; I689-L709 HydrophobicContact CB-CD1 4.07Å; I689-F856 HydrophobicContact CD1-CD1 4.24Å
690	V	77.8	Confident	80.3	Confident	61 Å²	61	44.7 Å²	44.7	37%	0.37	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.2	-171.9	-177.4	0	0	0	0	109.3	H688 L692 F707 L708	H688-V690 WeakPolarHBondContact NE2-CG2 3.33Å; V690-L692 PolarHBondContact O-N 2.84Å; V690-F707 CarbonylContact O-C 3.57Å; V690-F707 WeakPolarHBondContact O-CA 3.37Å; V690-F707 WeakPolarHBondContact O-CB 3.48Å; V690-L708 PolarHBondContact N-O 2.79Å; V690-L708 PolarHBondContact O-N 3.44Å
691	K	80.6	Confident	80.5	Confident	60 Å²	60	43.9 Å²	43.9	26%	0.261	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.5	177	177.3	160.5	-171.8	167.4	0	111	P704 F707	K691-P704 WeakPolarHBondContact CE-O 3.43Å; K691-P704 PolarHBondContact NZ-O 3.23Å; K691-F707 HydrophobicContact CB-CD1 3.93Å; K691-F707 HydrophobicContact CB-CE1 4.03Å
692	L	80.6	Confident	80.6	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.063	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.6	127.1	172.8	-65.4	-178.9	0	0	0	110.7	V690 Q697 Q706 L708 F855	V690-L692 PolarHBondContact O-N 2.84Å; L692-Q697 HydrophobicContact CB-CG 3.79Å; L692-Q697 PolarHBondContact O-NE2 2.99Å; L692-Q706 HydrophobicContact CB-CB 4.36Å; L692-Q706 HydrophobicContact CD1-CB 3.91Å; L692-Q706 HydrophobicContact CG-CB 4.39Å; L692-Q706 PolarHBondContact N-O 3.34Å; L692-L708 HydrophobicContact CD2-CB 4.09Å; L692-F855 HydrophobicContact CD1-CD1 3.89Å; L692-F855 HydrophobicContact CD1-CE1 3.98Å; L692-F855 HydrophobicContact CD2-CE1 4.29Å
693	P	77.9	Confident	81.1	Confident	69 Å²	69	48.2 Å²	48.2	45%	0.448	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-65.6	153.3	169.8	30	-35.1	0	0	0	110	N695 R696 Q697	P693-N695 WeakPolarHBondContact CB-OD1 3.13Å; P693-N695 WeakPolarHBondContact CG-OD1 3.22Å; P693-N695 PolarHBondContact O-N 3.42Å; P693-N695 VanDerWaalsContact O-N 3.07Å; P693-R696 HydrophobicContact CG-CB 4.09Å; P693-R696 HydrophobicContact CG-CG 4.17Å; P693-R696 PolarHBondContact O-N 2.9Å; P693-Q697 PolarHBondContact O-N 2.92Å
694	V	82.9	Confident	81.8	Confident	124 Å²	124	50.4 Å²	50.4	75%	0.752	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-55.8	-34.3	-167.8	-176.8	0	0	0	0	113.1	R696 Q697	V694-R696 VanDerWaalsContact C-N 3.34Å; V694-R696 PolarHBondContact O-N 3.05Å; V694-Q697 PolarHBondContact O-N 3.03Å
695	N	82.3	Confident	82.5	Confident	135 Å²	135	50.2 Å²	50.2	72%	0.722	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-71.8	-20.2	176.7	64.5	-25	0	0	0	114.8	P693	P693-N695 WeakPolarHBondContact CB-OD1 3.13Å; P693-N695 WeakPolarHBondContact CG-OD1 3.22Å; P693-N695 PolarHBondContact O-N 3.42Å; P693-N695 VanDerWaalsContact O-N 3.07Å
696	R	82.6	Confident	83.3	Confident	74 Å²	74	49.3 Å²	49.3	28%	0.279	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-104.2	4.5	176.4	-65.2	-171.3	176.6	-171.1	0.1	113.1	P693 V694 V883 N886 T890	P693-R696 HydrophobicContact CG-CB 4.09Å; P693-R696 HydrophobicContact CG-CG 4.17Å; P693-R696 PolarHBondContact O-N 2.9Å; V694-R696 VanDerWaalsContact C-N 3.34Å; V694-R696 PolarHBondContact O-N 3.05Å; R696-V883 WeakPolarHBondContact O-CG1 3.27Å; R696-V883 WeakPolarHBondContact O-CG2 3.31Å; R696-N886 PolarHBondContact NH2-O 2.93Å; R696-T890 PolarHBondContact NH2-O 3.31Å; R696-T890 PolarHBondContact NH2-OG1 3.23Å
697	Q	88.5	Confident	84.2	Confident	30 Å²	30	47 Å²	47	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-73.2	143.8	177.2	-73.9	-178.5	11.4	0	0	112.6	L692 P693 V694 K699 Q706	L692-Q697 HydrophobicContact CB-CG 3.79Å; L692-Q697 PolarHBondContact O-NE2 2.99Å; P693-Q697 PolarHBondContact O-N 2.92Å; V694-Q697 PolarHBondContact O-N 3.03Å; Q697-K699 PolarHBondContact O-N 2.75Å; Q697-Q706 HydrophobicContact CG-CB 4.26Å; Q697-Q706 HydrophobicContact CG-CG 4.16Å
698	L	89.9	Confident	84.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.			trans	-79.3	114.9	175.9	-66	165.4	0	0	0	108.6	F700 M701 Q706 L827 F855 F857 E879 I880 V883	L698-F700 HydrophobicContact CB-CE1 4.02Å; L698-F700 HydrophobicContact CB-CE2 4.44Å; L698-F700 HydrophobicContact CB-CZ 3.98Å; L698-F700 HydrophobicContact CD1-CZ 4.18Å; L698-F700 HydrophobicContact CD2-CE1 3.97Å; L698-F700 HydrophobicContact CD2-CZ 4.12Å; L698-F700 HydrophobicContact CG-CE1 4.47Å; L698-F700 HydrophobicContact CG-CZ 4.32Å; L698-F700 PolarHBondContact O-N 2.56Å; L698-M701 HydrophobicContact CB-CG 4.33Å; L698-M701 PolarHBondContact O-N 2.82Å; L698-Q706 PolarHBondContact O-NE2 2.91Å; L698-Q706 PolarHBondContact O-OE1 3.32Å; L698-L827 HydrophobicContact CD1-CD2 4.35Å; L698-F855 HydrophobicContact CD1-CD1 4.35Å; L698-F855 HydrophobicContact CD1-CD2 3.99Å; L698-F855 HydrophobicContact CD1-CE1 4.44Å; L698-F855 HydrophobicContact CD1-CE2 4.09Å; L698-F855 HydrophobicContact CD1-CG 4.1Å; L698-F855 HydrophobicContact CD1-CZ 4.32Å; L698-F857 HydrophobicContact CD1-CE1 4.04Å; L698-F857 HydrophobicContact CD1-CZ 3.74Å; L698-E879 HydrophobicContact CD2-CG 3.76Å; L698-I880 HydrophobicContact CD2-CG1 4.33Å; L698-V883 HydrophobicContact CD2-CB 4.05Å; L698-V883 HydrophobicContact CD2-CG2 3.63Å; L698-V883 HydrophobicContact CG-CG2 4.28Å
699	K	87.5	Confident	85.2	Confident	153 Å²	153	47.1 Å²	47.1	67%	0.665	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-65.8	-39.3	-166.1	-66.8	179.9	177.7	-178.1	0	112.4	Q697 M701 H702	Q697-K699 PolarHBondContact O-N 2.75Å; K699-M701 PolarHBondContact O-N 3.37Å; K699-H702 PolarHBondContact O-CE1 2.96Å; K699-H702 VanDerWaalsContact O-CE1 3.28Å; K699-H702 PolarHBondContact O-N 3.3Å; K699-H702 PolarHBondContact O-ND1 3.06Å
700	F	88.3	Confident	84.9	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.048	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-65.1	-14.9	-179.1	60	-103	0	0	0	115.3	L698 H702 F733 I869 I876 E879 I880	L698-F700 HydrophobicContact CB-CE1 4.02Å; L698-F700 HydrophobicContact CB-CE2 4.44Å; L698-F700 HydrophobicContact CB-CZ 3.98Å; L698-F700 HydrophobicContact CD1-CZ 4.18Å; L698-F700 HydrophobicContact CD2-CE1 3.97Å; L698-F700 HydrophobicContact CD2-CZ 4.12Å; L698-F700 HydrophobicContact CG-CE1 4.47Å; L698-F700 HydrophobicContact CG-CZ 4.32Å; L698-F700 PolarHBondContact O-N 2.56Å; F700-H702 PolarHBondContact O-CD2 3.13Å; F700-F733 HydrophobicContact CE2-CZ 4.35Å; F700-I869 HydrophobicContact CB-CD1 3.72Å; F700-I869 HydrophobicContact CB-CG1 4.14Å; F700-I869 HydrophobicContact CD2-CG1 4.14Å; F700-I869 HydrophobicContact CD2-CG2 3.75Å; F700-I869 HydrophobicContact CE2-CG2 4.05Å; F700-I869 HydrophobicContact CG-CD1 4.41Å; F700-I869 HydrophobicContact CG-CG2 4.35Å; F700-I876 HydrophobicContact CB-CD1 4.06Å; F700-I876 HydrophobicContact CD1-CD1 3.73Å; F700-I876 HydrophobicContact CD1-CG2 4.34Å; F700-I876 HydrophobicContact CE1-CD1 4.33Å; F700-I876 HydrophobicContact CE1-CG2 3.9Å; F700-I876 HydrophobicContact CE2-CG2 4.33Å; F700-I876 HydrophobicContact CG-CD1 3.92Å; F700-I876 HydrophobicContact CZ-CG2 3.9Å; F700-E879 HydrophobicContact CD1-CG 4.32Å; F700-E879 WeakPolarHBondContact CD1-OE2 3.37Å; F700-E879 HydrophobicContact CE1-CB 4.3Å; F700-E879 HydrophobicContact CE1-CG 3.99Å; F700-I880 HydrophobicContact CE1-CG1 4.19Å; F700-I880 HydrophobicContact CZ-CD1 4.16Å; F700-I880 HydrophobicContact CZ-CG1 3.79Å
701	M	90.1	Very high	84.5	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-82.9	-16.3	180	-67.9	-57.1	-76.4	0	0	113.5	L698 K699 T703 F733 I825 F857 Y859	L698-M701 HydrophobicContact CB-CG 4.33Å; L698-M701 PolarHBondContact O-N 2.82Å; K699-M701 PolarHBondContact O-N 3.37Å; M701-T703 PolarHBondContact O-N 2.96Å; M701-F733 HydrophobicContact CE-CE1 3.79Å; M701-F733 HydrophobicContact CE-CZ 4.49Å; M701-F733 HydrophobicContact SD-CE1 3.79Å; M701-F733 HydrophobicContact SD-CZ 3.96Å; M701-I825 HydrophobicContact CE-CG2 4.11Å; M701-F857 HydrophobicContact CB-CD1 3.88Å; M701-F857 HydrophobicContact CB-CE1 4.01Å; M701-F857 HydrophobicContact CE-CB 4.05Å; M701-F857 HydrophobicContact CE-CD1 4.02Å; M701-F857 HydrophobicContact CE-CD2 3.48Å; M701-F857 VanDerWaalsContact CE-CD2 3.48Å; M701-F857 HydrophobicContact CE-CE1 4.36Å; M701-F857 HydrophobicContact CE-CE2 3.85Å; M701-F857 HydrophobicContact CE-CG 3.56Å; M701-F857 HydrophobicContact CE-CZ 4.26Å; M701-F857 HydrophobicContact CG-CD1 3.84Å; M701-F857 HydrophobicContact CG-CE1 3.59Å; M701-F857 HydrophobicContact CG-CE2 4.44Å; M701-F857 HydrophobicContact CG-CG 4.37Å; M701-F857 HydrophobicContact CG-CZ 3.9Å; M701-Y859 WeakPolarHBondContact CE-OH 3.4Å; M701-Y859 VanDerWaalsContact O-CE1 3.28Å; M701-Y859 WeakPolarHBondContact O-CE1 3.37Å; M701-Y859 PolarHBondContact O-OH 2.65Å
702	H	87.3	Confident	83.8	Confident	125 Å²	125	42.6 Å²	42.6	58%	0.579	22%	0.222	S	C	*	.			trans	51.6	26.4	171.4	-58.3	-60.1	0	0	0	116.7	K699 F700	K699-H702 PolarHBondContact O-CE1 2.96Å; K699-H702 VanDerWaalsContact O-CE1 3.28Å; K699-H702 PolarHBondContact O-N 3.3Å; K699-H702 PolarHBondContact O-ND1 3.06Å; F700-H702 PolarHBondContact O-CD2 3.13Å
703	T	88.1	Confident	83.1	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.031	23%	0.225	C	C	.	.			trans	-123.3	142.8	168.2	170.3	0	0	0	0	110.5	M701 H705 Q706 F857 V858 Y859	M701-T703 PolarHBondContact O-N 2.96Å; T703-H705 PolarHBondContact OG1-N 2.91Å; T703-Q706 HydrophobicContact CG2-CG 4.22Å; T703-Q706 WeakPolarHBondContact O-CG 3.31Å; T703-Q706 PolarHBondContact O-NE2 3.46Å; T703-F857 HydrophobicContact CG2-CB 4.12Å; T703-V858 WeakPolarHBondContact CB-O 3.45Å; T703-V858 PolarHBondContact OG1-O 2.74Å; T703-Y859 HydrophobicContact CG2-CD1 4.15Å; T703-Y859 HydrophobicContact CG2-CE1 3.62Å; T703-Y859 HydrophobicContact CG2-CE2 4.11Å
704	P	85.8	Confident	82.5	Confident	71 Å²	71	40.3 Å²	40.3	46%	0.461	21%	0.208	S	C	.	.	S	Bend	trans	-79.3	-4	171.3	33.5	-34.6	0	0	0	113.1	K691	K691-P704 WeakPolarHBondContact CE-O 3.43Å; K691-P704 PolarHBondContact NZ-O 3.23Å
705	H	89.8	Confident	81.8	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.083	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	64.2	178.3	-56.5	-82	0	0	0	110.4	T703 F707 L817 V858 E860	T703-H705 PolarHBondContact OG1-N 2.91Å; H705-F707 HydrophobicContact CB-CE2 4.01Å; H705-F707 HydrophobicContact CB-CZ 4.4Å; H705-F707 WeakPolarHBondContact O-CE2 3.35Å; H705-L817 HydrophobicContact CB-CD2 4.48Å; H705-L817 WeakPolarHBondContact ND1-CD2 3.45Å; H705-V858 HydrophobicContact CB-CB 3.92Å; H705-V858 PolarHBondContact O-N 3.17Å; H705-E860 IonicContact NE2-OE2 2.93Å
706	Q	91.1	Very high	81.4	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.2	173.2	-39.6	-165.2	7.9	0	0	109.8	L692 Q697 L698 T703 F857	L692-Q706 HydrophobicContact CB-CB 4.36Å; L692-Q706 HydrophobicContact CD1-CB 3.91Å; L692-Q706 HydrophobicContact CG-CB 4.39Å; L692-Q706 PolarHBondContact N-O 3.34Å; Q697-Q706 HydrophobicContact CG-CB 4.26Å; Q697-Q706 HydrophobicContact CG-CG 4.16Å; L698-Q706 PolarHBondContact O-NE2 2.91Å; L698-Q706 PolarHBondContact O-OE1 3.32Å; T703-Q706 HydrophobicContact CG2-CG 4.22Å; T703-Q706 WeakPolarHBondContact O-CG 3.31Å; T703-Q706 PolarHBondContact O-NE2 3.46Å; Q706-F857 HydrophobicContact CB-CD1 3.91Å; Q706-F857 HydrophobicContact CB-CE1 4.1Å; Q706-F857 HydrophobicContact CG-CD1 3.9Å; Q706-F857 HydrophobicContact CG-CE1 4.24Å
707	F	88.9	Confident	81.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.3	-179.3	-51	-97.3	0	0	0	109.8	V594 L597 I689 V690 K691 H705 F855 F856 V858	V594-F707 HydrophobicContact CG2-CD1 3.8Å; V594-F707 HydrophobicContact CG2-CE1 3.61Å; L597-F707 HydrophobicContact CD2-CD2 4.43Å; L597-F707 HydrophobicContact CD2-CE2 3.93Å; L597-F707 HydrophobicContact CD2-CZ 3.98Å; I689-F707 HydrophobicContact CD1-CB 4.2Å; I689-F707 HydrophobicContact CD1-CD1 4.35Å; I689-F707 HydrophobicContact CD1-CG 4.17Å; I689-F707 HydrophobicContact CG1-CB 3.87Å; I689-F707 HydrophobicContact CG1-CD1 4.08Å; I689-F707 HydrophobicContact CG1-CG 4.12Å; V690-F707 CarbonylContact O-C 3.57Å; V690-F707 WeakPolarHBondContact O-CA 3.37Å; V690-F707 WeakPolarHBondContact O-CB 3.48Å; K691-F707 HydrophobicContact CB-CD1 3.93Å; K691-F707 HydrophobicContact CB-CE1 4.03Å; H705-F707 HydrophobicContact CB-CE2 4.01Å; H705-F707 HydrophobicContact CB-CZ 4.4Å; H705-F707 WeakPolarHBondContact O-CE2 3.35Å; F707-F855 CarbonylContact O-C 3.56Å; F707-F855 VanDerWaalsContact O-CA 3.29Å; F707-F855 WeakPolarHBondContact O-CA 3.32Å; F707-F856 HydrophobicContact CB-CB 4.4Å; F707-F856 HydrophobicContact CD2-CD1 4.27Å; F707-F856 PolarHBondContact N-O 2.82Å; F707-F856 PolarHBondContact O-N 3.18Å; F707-V858 HydrophobicContact CD2-CG2 4.44Å; F707-V858 HydrophobicContact CE2-CB 4.44Å; F707-V858 HydrophobicContact CE2-CG2 3.84Å
708	L	84.2	Confident	80.5	Confident	24 Å²	24	30.1 Å²	30.1	13%	0.126	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.5	154.8	-169.3	75.3	0	0	0	107	I689 V690 L692 L710 R854 F855	I689-L708 WeakPolarHBondContact CA-O 3.21Å; V690-L708 PolarHBondContact N-O 2.79Å; V690-L708 PolarHBondContact O-N 3.44Å; L692-L708 HydrophobicContact CD2-CB 4.09Å; L708-L710 HydrophobicContact CD2-CD1 4.46Å; L708-R854 WeakPolarHBondContact CD1-O 3.31Å; L708-F855 HydrophobicContact CD1-CD1 4.24Å; L708-F855 HydrophobicContact CD1-CE1 3.91Å
709	L	85.1	Confident	80.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	111.5	178	174	64.8	0	0	0	109.1	I689 L745 T853 R854 F856	I689-L709 HydrophobicContact CB-CD1 4.07Å; L709-L745 HydrophobicContact CD1-CD2 3.56Å; L709-L745 HydrophobicContact CD2-CD2 3.9Å; L709-L745 HydrophobicContact CG-CD2 4.41Å; L709-T853 HydrophobicContact CD2-CG2 4.08Å; L709-T853 CarbonylContact O-C 3.57Å; L709-T853 VanDerWaalsContact O-C 3.22Å; L709-T853 VanDerWaalsContact O-O 3.09Å; L709-T853 PolarHBondContact O-OG1 2.89Å; L709-R854 PolarHBondContact N-O 3.36Å; L709-R854 CarbonylContact O-C 3.58Å; L709-R854 WeakPolarHBondContact O-CA 3.2Å; L709-R854 PolarHBondContact O-N 2.92Å; L709-F856 HydrophobicContact CB-CB 3.86Å; L709-F856 HydrophobicContact CD2-CB 3.85Å; L709-F856 HydrophobicContact CD2-CD2 4.04Å; L709-F856 HydrophobicContact CD2-CG 4.17Å; L709-F856 HydrophobicContact CG-CB 4.43Å
710	L	73.1	Confident	80.1	Confident	12 Å²	12	27 Å²	27	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	97.3	170.7	-58.1	173.6	0	0	0	107.9	E234 L561 S687 H688 L708	E234-L710 HydrophobicContact CB-CD1 4.12Å; E234-L710 HydrophobicContact CG-CD1 4.45Å; L561-L710 HydrophobicContact CD2-CB 3.87Å; L561-L710 HydrophobicContact CD2-CD1 4.49Å; S687-L710 WeakPolarHBondContact CA-O 3.32Å; H688-L710 HydrophobicContact CB-CB 4.33Å; H688-L710 PolarHBondContact N-O 3.28Å; H688-L710 PolarHBondContact O-N 3.44Å; L708-L710 HydrophobicContact CD2-CD1 4.46Å
711	S	69.5	Low	80	Confident	18 Å²	18	29.5 Å²	29.5	13%	0.126	17%	0.165	C	C	.	.			trans	-97.8	5.3	-179.7	77.2	0	0	0	0	114.2	S687 T853	S687-S711 WeakPolarHBondContact OG-CA 3.45Å; S687-S711 WeakPolarHBondContact OG-CB 3.47Å; S711-T853 VanDerWaalsContact CB-OG1 3.29Å; S711-T853 WeakPolarHBondContact CB-OG1 3.41Å; S711-T853 PolarHBondContact N-OG1 3.13Å; S711-T853 PolarHBondContact OG-OG1 3.37Å
712	S	67.2	Low	79.9	Confident	8 Å²	8	31.9 Å²	31.9	6%	0.056	19%	0.185	C	C	.	.	S	Bend	trans	-97.2	137.7	-173.2	-71	0	0	0	0	111.9	C852	S712-C852 PolarHBondContact OG-SG 3.17Å
713	P	66.1	Low	80.1	Confident	18 Å²	18	26.5 Å²	26.5	12%	0.117	16%	0.163	C	C	.	.			trans	-50.4	145.6	161.4	-29.6	35.8	0	0	0	112.6	N557 P559 A715 K716 E717	N557-P713 WeakPolarHBondContact O-CG 3.14Å; P559-P713 HydrophobicContact CG-CB 4.3Å; P559-P713 WeakPolarHBondContact O-CA 3.34Å; P559-P713 WeakPolarHBondContact O-CB 3.3Å; P559-P713 WeakPolarHBondContact O-CG 3.36Å; P713-A715 VanDerWaalsContact C-N 3.31Å; P713-A715 PolarHBondContact O-N 2.91Å; P713-K716 HydrophobicContact CB-CB 3.86Å; P713-K716 HydrophobicContact CG-CB 4.07Å; P713-K716 CarbonylContact O-C 3.24Å; P713-K716 WeakPolarHBondContact O-CA 3.3Å; P713-K716 WeakPolarHBondContact O-CB 3.42Å; P713-K716 PolarHBondContact O-N 3.33Å; P713-E717 PolarHBondContact O-N 3.38Å
714	P	64.8	Low	80.4	Confident	14 Å²	14	30 Å²	30	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-48.1	-47.1	169.3	-35.5	41.1	0	0	0	114.3	I235 N543 M560 L561 K716 E717 S718	I235-P714 HydrophobicContact CD1-CB 3.68Å; I235-P714 HydrophobicContact CD1-CG 4.08Å; I235-P714 HydrophobicContact CG1-CB 4.24Å; I235-P714 HydrophobicContact CG1-CG 4.13Å; N543-P714 WeakPolarHBondContact ND2-CG 3.35Å; M560-P714 WeakPolarHBondContact O-CD 3.36Å; L561-P714 HydrophobicContact CD1-CG 3.88Å; P714-K716 VanDerWaalsContact C-N 3.3Å; P714-K716 PolarHBondContact O-N 3.4Å; P714-E717 PolarHBondContact O-N 2.97Å; P714-S718 WeakPolarHBondContact O-CB 3.24Å; P714-S718 PolarHBondContact O-N 3.43Å
715	A	66.9	Low	80.7	Confident	47 Å²	47	35.1 Å²	35.1	39%	0.388	19%	0.192	S	C	.	.	H	α-helix	trans	-61.6	-37.2	176.2	0	0	0	0	0	112.6	P559 P713 N719	P559-A715 HydrophobicContact CG-CB 4.49Å; P713-A715 VanDerWaalsContact C-N 3.31Å; P713-A715 PolarHBondContact O-N 2.91Å; A715-N719 VanDerWaalsContact O-CG 3.3Å; A715-N719 PolarHBondContact O-N 2.93Å; A715-N719 PolarHBondContact O-OD1 2.94Å
716	K	74.8	Confident	80.9	Confident	26 Å²	26	40.7 Å²	40.7	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-71.3	-38.7	176.9	-167.2	-168.5	177.6	-155.9	0	111.5	P713 P714 S718 N719 F720 T848 D849 V851	P713-K716 HydrophobicContact CB-CB 3.86Å; P713-K716 HydrophobicContact CG-CB 4.07Å; P713-K716 CarbonylContact O-C 3.24Å; P713-K716 WeakPolarHBondContact O-CA 3.3Å; P713-K716 WeakPolarHBondContact O-CB 3.42Å; P713-K716 PolarHBondContact O-N 3.33Å; P714-K716 VanDerWaalsContact C-N 3.3Å; P714-K716 PolarHBondContact O-N 3.4Å; K716-S718 VanDerWaalsContact C-N 3.35Å; K716-N719 WeakPolarHBondContact O-CB 3.27Å; K716-N719 PolarHBondContact O-N 3.45Å; K716-F720 WeakPolarHBondContact O-CB 3.45Å; K716-F720 PolarHBondContact O-N 3.21Å; K716-T848 WeakPolarHBondContact CE-O 3.26Å; K716-T848 PolarHBondContact NZ-O 2.9Å; K716-D849 VanDerWaalsContact CE-OD1 3.32Å; K716-D849 WeakPolarHBondContact CE-OD1 3.44Å; K716-V851 PolarHBondContact NZ-O 3.21Å
717	E	77.9	Confident	81.1	Confident	15 Å²	15	44.9 Å²	44.9	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-38.1	175.7	-166.9	57.9	-141	0	0	111.3	P713 P714 F720 R721 C852 R854	P713-E717 PolarHBondContact O-N 3.38Å; P714-E717 PolarHBondContact O-N 2.97Å; E717-F720 PolarHBondContact O-N 3.46Å; E717-R721 VanDerWaalsContact O-CB 3.32Å; E717-R721 WeakPolarHBondContact O-CB 3.16Å; E717-R721 PolarHBondContact O-N 3.1Å; E717-C852 PolarHBondContact OE2-SG 2.65Å; E717-R854 VanDerWaalsContact CD-NH1 3.25Å; E717-R854 IonicContact OE1-CZ 2.81Å; E717-R854 IonicContact OE1-NH1 2.72Å; E717-R854 PolarHBondContact OE1-NH1 3.3Å; E717-R854 IonicContact OE1-NH2 3.4Å; E717-R854 PolarHBondContact OE1-NH2 3.23Å; E717-R854 IonicContact OE2-NH1 2.63Å; E717-R854 PolarHBondContact OE2-NH1 3.25Å; E717-R854 IonicContact OE2-NH2 3.76Å
718	S	73.6	Confident	81.4	Confident	62 Å²	62	46.4 Å²	46.4	43%	0.434	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-46.3	171.1	-172.1	0	0	0	0	112	P714 K716 F720 R721 A722	P714-S718 WeakPolarHBondContact O-CB 3.24Å; P714-S718 PolarHBondContact O-N 3.43Å; K716-S718 VanDerWaalsContact C-N 3.35Å; S718-F720 VanDerWaalsContact C-N 3.34Å; S718-F720 PolarHBondContact O-N 3.09Å; S718-R721 PolarHBondContact O-N 3.14Å; S718-A722 WeakPolarHBondContact O-CB 3.37Å; S718-A722 PolarHBondContact O-N 3.06Å
719	N	82.8	Confident	81.9	Confident	88 Å²	88	46.8 Å²	46.8	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-47.6	172	-72.8	-7.1	0	0	0	111.5	A715 K716 R721 A722 A723 D849	A715-N719 VanDerWaalsContact O-CG 3.3Å; A715-N719 PolarHBondContact O-N 2.93Å; A715-N719 PolarHBondContact O-OD1 2.94Å; K716-N719 WeakPolarHBondContact O-CB 3.27Å; K716-N719 PolarHBondContact O-N 3.45Å; N719-R721 PolarHBondContact O-N 2.61Å; N719-A722 PolarHBondContact O-N 3.34Å; N719-A723 WeakPolarHBondContact O-CB 3.31Å; N719-A723 PolarHBondContact O-N 2.87Å; N719-D849 PolarHBondContact ND2-OD2 3.15Å
720	F	86.9	Confident	82.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-43.6	177.5	-174.9	-84.3	0	0	0	111.3	K716 E717 S718 A722 A723 K724 E829 I831 D849 C852	K716-F720 WeakPolarHBondContact O-CB 3.45Å; K716-F720 PolarHBondContact O-N 3.21Å; E717-F720 PolarHBondContact O-N 3.46Å; S718-F720 VanDerWaalsContact C-N 3.34Å; S718-F720 PolarHBondContact O-N 3.09Å; F720-A722 PolarHBondContact O-N 2.77Å; F720-A723 PolarHBondContact O-N 2.97Å; F720-K724 HydrophobicContact CE1-CD 4.29Å; F720-K724 VanDerWaalsContact O-CB 3.24Å; F720-K724 WeakPolarHBondContact O-CB 3.27Å; F720-K724 PolarHBondContact O-N 3.11Å; F720-E829 HydrophobicContact CE1-CB 4.24Å; F720-E829 HydrophobicContact CE1-CG 4.03Å; F720-E829 WeakPolarHBondContact CE2-O 3.39Å; F720-E829 HydrophobicContact CZ-CB 3.72Å; F720-E829 HydrophobicContact CZ-CG 3.69Å; F720-I831 HydrophobicContact CD1-CD1 3.99Å; F720-I831 HydrophobicContact CD2-CD1 3.76Å; F720-I831 HydrophobicContact CD2-CG1 3.79Å; F720-I831 HydrophobicContact CE1-CD1 3.72Å; F720-I831 HydrophobicContact CE2-CD1 3.49Å; F720-I831 VanDerWaalsContact CE2-CD1 3.49Å; F720-I831 HydrophobicContact CE2-CG1 3.6Å; F720-I831 HydrophobicContact CG-CD1 3.99Å; F720-I831 HydrophobicContact CG-CG1 4.42Å; F720-I831 HydrophobicContact CZ-CD1 3.45Å; F720-I831 VanDerWaalsContact CZ-CD1 3.45Å; F720-I831 HydrophobicContact CZ-CG1 4.07Å; F720-I831 WeakPolarHBondContact O-CD1 3.44Å; F720-D849 WeakPolarHBondContact CD2-O 3.38Å; F720-C852 HydrophobicContact CD2-CB 4.12Å; F720-C852 VanDerWaalsContact CD2-SG 3.53Å; F720-C852 HydrophobicContact CE2-CB 4.11Å; F720-C852 HydrophobicContact CG-CB 4.39Å; F720-C852 VanDerWaalsContact CG-SG 3.57Å; F720-C852 HydrophobicContact CZ-CB 4.39Å
721	R	85.9	Confident	83.5	Confident	62 Å²	62	46.6 Å²	46.6	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-35.4	178.7	-158	-178.5	-58.9	118.8	-1.7	112.1	D232 E234 E717 S718 N719 K725	D232-R721 VanDerWaalsContact CG-CZ 3.45Å; D232-R721 IonicContact OD1-CZ 3.22Å; D232-R721 VanDerWaalsContact OD1-CZ 3.31Å; D232-R721 IonicContact OD1-NH1 3.96Å; D232-R721 PolarHBondContact OD1-NH1 2.92Å; D232-R721 IonicContact OD1-NH2 2.7Å; D232-R721 PolarHBondContact OD1-NH2 2.83Å; D232-R721 IonicContact OD2-CZ 3.87Å; D232-R721 IonicContact OD2-NH1 3.54Å; D232-R721 PolarHBondContact OD2-NH1 3.35Å; D232-R721 IonicContact OD2-NH2 2.72Å; D232-R721 PolarHBondContact OD2-NH2 3.27Å; E234-R721 IonicContact OE2-CZ 2.82Å; E234-R721 IonicContact OE2-NH2 3.45Å; E234-R721 PolarHBondContact OE2-NH2 2.83Å; E717-R721 VanDerWaalsContact O-CB 3.32Å; E717-R721 WeakPolarHBondContact O-CB 3.16Å; E717-R721 PolarHBondContact O-N 3.1Å; S718-R721 PolarHBondContact O-N 3.14Å; N719-R721 PolarHBondContact O-N 2.61Å; R721-K725 WeakPolarHBondContact O-CG 3.35Å; R721-K725 PolarHBondContact O-N 2.91Å
722	A	88.3	Confident	84.9	Confident	52 Å²	52	45.8 Å²	45.8	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-48.2	171.6	0	0	0	0	0	111.6	S718 N719 F720 K724 K725 L726	S718-A722 WeakPolarHBondContact O-CB 3.37Å; S718-A722 PolarHBondContact O-N 3.06Å; N719-A722 PolarHBondContact O-N 3.34Å; F720-A722 PolarHBondContact O-N 2.77Å; A722-K724 VanDerWaalsContact C-N 3.3Å; A722-K724 PolarHBondContact O-N 2.87Å; A722-K725 WeakPolarHBondContact O-CB 3.33Å; A722-K725 PolarHBondContact O-N 2.99Å; A722-L726 PolarHBondContact O-N 2.87Å
723	A	92.1	Very high	86.3	Confident	12 Å²	12	45.4 Å²	45.4	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-36.9	176.3	0	0	0	0	0	112.4	N719 F720 K725 L726 F727 I831	N719-A723 WeakPolarHBondContact O-CB 3.31Å; N719-A723 PolarHBondContact O-N 2.87Å; F720-A723 PolarHBondContact O-N 2.97Å; A723-K725 PolarHBondContact O-N 2.85Å; A723-L726 PolarHBondContact O-N 3.03Å; A723-L726 VanDerWaalsContact O-N 3.15Å; A723-F727 HydrophobicContact CB-CD2 4.46Å; A723-F727 WeakPolarHBondContact O-CD2 3.15Å; A723-F727 PolarHBondContact O-N 3.42Å; A723-I831 HydrophobicContact CB-CD1 4.21Å; A723-I831 HydrophobicContact CB-CG1 4.03Å; A723-I831 HydrophobicContact CB-CG2 4.04Å
724	K	93.1	Very high	87.8	Confident	78 Å²	78	45.9 Å²	45.9	34%	0.339	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-37	174.7	178.8	173.1	175.7	172	0	112.7	F720 A722 L726 G728 S729 E829 I831	F720-K724 HydrophobicContact CE1-CD 4.29Å; F720-K724 VanDerWaalsContact O-CB 3.24Å; F720-K724 WeakPolarHBondContact O-CB 3.27Å; F720-K724 PolarHBondContact O-N 3.11Å; A722-K724 VanDerWaalsContact C-N 3.3Å; A722-K724 PolarHBondContact O-N 2.87Å; K724-L726 VanDerWaalsContact C-N 3.29Å; K724-L726 PolarHBondContact O-N 2.81Å; K724-G728 VanDerWaalsContact O-CA 3.23Å; K724-G728 WeakPolarHBondContact O-CA 3.29Å; K724-G728 PolarHBondContact O-N 2.9Å; K724-S729 WeakPolarHBondContact CD-OG 3.5Å; K724-S729 VanDerWaalsContact CE-OG 3.28Å; K724-S729 WeakPolarHBondContact CE-OG 3.44Å; K724-E829 WeakPolarHBondContact CD-OE1 3.43Å; K724-E829 WeakPolarHBondContact CE-OE1 3.45Å; K724-E829 IonicContact NZ-OE1 3.57Å; K724-E829 PolarHBondContact NZ-OE1 3.18Å; K724-E829 IonicContact NZ-OE2 3.28Å; K724-I831 HydrophobicContact CB-CD1 3.76Å
725	K	92.6	Very high	89.2	Confident	178 Å²	178	45.6 Å²	45.6	77%	0.774	25%	0.251	S	S	*	.	H	α-helix	trans	-66.3	-29.6	173.2	-73.2	173	179.7	-179.7	0	112.7	R721 A722 A723	R721-K725 WeakPolarHBondContact O-CG 3.35Å; R721-K725 PolarHBondContact O-N 2.91Å; A722-K725 WeakPolarHBondContact O-CB 3.33Å; A722-K725 PolarHBondContact O-N 2.99Å; A723-K725 PolarHBondContact O-N 2.85Å
726	L	94.2	Very high	90.6	Very high	135 Å²	135	44 Å²	44	71%	0.707	24%	0.238	S	C	*	.	H	α-helix	trans	-88.1	-41.9	-178	-66.4	171.9	0	0	0	113.6	A722 A723 K724	A722-L726 PolarHBondContact O-N 2.87Å; A723-L726 PolarHBondContact O-N 3.03Å; A723-L726 VanDerWaalsContact O-N 3.15Å; K724-L726 VanDerWaalsContact C-N 3.29Å; K724-L726 PolarHBondContact O-N 2.81Å
727	F	95.6	Very high	91.5	Very high	93 Å²	93	45.1 Å²	45.1	41%	0.408	24%	0.243	S	C	.	.	H	α-helix	trans	-119	-5.8	-169.4	-54.6	-65.2	0	0	0	114.4	A723 I831 T832	A723-F727 HydrophobicContact CB-CD2 4.46Å; A723-F727 WeakPolarHBondContact O-CD2 3.15Å; A723-F727 PolarHBondContact O-N 3.42Å; F727-I831 HydrophobicContact CB-CG2 3.8Å; F727-I831 HydrophobicContact CD2-CG2 3.98Å; F727-I831 HydrophobicContact CG-CG2 4.34Å; F727-T832 PolarHBondContact O-OG1 2.89Å
728	G	94.7	Very high	92.2	Very high	31 Å²	31	45.5 Å²	45.5	32%	0.32	25%	0.246	S	C	.	.			trans	72.4	-179.4	-168.2	0	0	0	0	0	113.4	K724 T832	K724-G728 VanDerWaalsContact O-CA 3.23Å; K724-G728 WeakPolarHBondContact O-CA 3.29Å; K724-G728 PolarHBondContact O-N 2.9Å; G728-T832 PolarHBondContact O-N 3.17Å; G728-T832 VanDerWaalsContact O-N 3.09Å; G728-T832 PolarHBondContact O-OG1 3.48Å
729	S	95.3	Very high	93.2	Very high	32 Å²	32	44.3 Å²	44.3	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.1	175	62.9	0	0	0	0	112.1	K724 E829 V830 T832	K724-S729 WeakPolarHBondContact CD-OG 3.5Å; K724-S729 VanDerWaalsContact CE-OG 3.28Å; K724-S729 WeakPolarHBondContact CE-OG 3.44Å; S729-E829 WeakPolarHBondContact CB-OE1 3.5Å; S729-E829 PolarHBondContact OG-OE1 2.89Å; S729-V830 CarbonylContact C-O 3.22Å; S729-V830 VanDerWaalsContact CA-O 3.24Å; S729-V830 WeakPolarHBondContact CA-O 3.43Å; S729-V830 WeakPolarHBondContact CB-O 3.13Å; S729-T832 PolarHBondContact N-OG1 3.41Å
730	T	95.6	Very high	93.7	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	176.6	171.1	-172.1	0	0	0	0	109.5	E829 V830 T832 W843 Q872	T730-E829 WeakPolarHBondContact O-CA 3.43Å; T730-V830 PolarHBondContact N-O 2.86Å; T730-V830 PolarHBondContact O-N 3.36Å; T730-T832 HydrophobicContact CG2-CG2 3.8Å; T730-W843 HydrophobicContact CG2-CH2 3.75Å; T730-W843 HydrophobicContact CG2-CZ3 3.58Å; T730-Q872 PolarHBondContact OG1-NE2 2.97Å; T730-Q872 PolarHBondContact OG1-OE1 2.87Å
731	F	96.4	Very high	94.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.6	179.7	-59.3	-78.7	0	0	0	112.2	L827 C828 E829 T871 Q872 H877 I880 L881 I884	F731-L827 HydrophobicContact CB-CD1 3.92Å; F731-C828 CarbonylContact C-O 3.49Å; F731-C828 VanDerWaalsContact CA-O 3.27Å; F731-C828 WeakPolarHBondContact CA-O 3.46Å; F731-E829 HydrophobicContact CD1-CB 3.98Å; F731-E829 HydrophobicContact CD1-CG 4Å; F731-E829 HydrophobicContact CE1-CB 3.78Å; F731-E829 HydrophobicContact CE1-CG 3.57Å; F731-E829 HydrophobicContact CZ-CG 4.11Å; F731-T871 HydrophobicContact CB-CG2 4.35Å; F731-T871 VanDerWaalsContact O-CB 3.27Å; F731-T871 WeakPolarHBondContact O-CB 3.45Å; F731-T871 PolarHBondContact O-OG1 3.14Å; F731-Q872 PolarHBondContact O-NE2 3.1Å; F731-Q872 VanDerWaalsContact O-NE2 3.09Å; F731-H877 AromaticContact CD2-CE1 3.79Å; F731-H877 AromaticContact CD2-ND1 3.94Å; F731-I880 HydrophobicContact CB-CD1 4.26Å; F731-I880 HydrophobicContact CD1-CG2 3.85Å; F731-I880 HydrophobicContact CD2-CB 4.31Å; F731-I880 HydrophobicContact CD2-CD1 4.38Å; F731-I880 HydrophobicContact CD2-CG2 3.7Å; F731-I880 HydrophobicContact CE1-CG2 3.81Å; F731-I880 HydrophobicContact CE2-CB 4.4Å; F731-I880 HydrophobicContact CE2-CG2 3.67Å; F731-I880 HydrophobicContact CG-CD1 4.37Å; F731-I880 HydrophobicContact CG-CG2 3.81Å; F731-I880 HydrophobicContact CZ-CG2 3.74Å; F731-L881 HydrophobicContact CE2-CD2 3.74Å; F731-L881 HydrophobicContact CE2-CG 4.12Å; F731-L881 HydrophobicContact CZ-CD2 3.92Å; F731-I884 HydrophobicContact CE1-CD1 3.45Å; F731-I884 VanDerWaalsContact CE1-CD1 3.45Å; F731-I884 HydrophobicContact CZ-CD1 3.5Å
732	A	97.6	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.5	171.7	0	0	0	0	0	110.8	L770 C828 V830 W843	A732-L770 HydrophobicContact CB-CB 3.86Å; A732-L770 HydrophobicContact CB-CD2 4.14Å; A732-C828 PolarHBondContact N-O 2.89Å; A732-C828 PolarHBondContact O-N 2.82Å; A732-V830 HydrophobicContact CB-CG2 4.25Å; A732-W843 HydrophobicContact CB-CE3 3.99Å; A732-W843 HydrophobicContact CB-CZ3 3.94Å
733	F	97.5	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.9	177.1	-64.6	-75.6	0	0	0	111.8	F700 M701 L770 S771 S777 I825 A826 L827 I869 T871	F700-F733 HydrophobicContact CE2-CZ 4.35Å; M701-F733 HydrophobicContact CE-CE1 3.79Å; M701-F733 HydrophobicContact CE-CZ 4.49Å; M701-F733 HydrophobicContact SD-CE1 3.79Å; M701-F733 HydrophobicContact SD-CZ 3.96Å; F733-L770 WeakPolarHBondContact O-CA 3.12Å; F733-S771 PolarHBondContact N-O 3.09Å; F733-S771 PolarHBondContact O-N 3.27Å; F733-S777 PolarHBondContact O-OG 2.92Å; F733-I825 HydrophobicContact CB-CD1 4.06Å; F733-I825 HydrophobicContact CB-CG1 4.42Å; F733-I825 HydrophobicContact CD1-CD1 4.02Å; F733-I825 HydrophobicContact CD1-CG1 4.32Å; F733-I825 HydrophobicContact CG-CD1 4.23Å; F733-A826 CarbonylContact C-O 3.58Å; F733-A826 WeakPolarHBondContact CA-O 3.29Å; F733-L827 HydrophobicContact CD1-CB 4.11Å; F733-L827 HydrophobicContact CD1-CD1 3.92Å; F733-L827 HydrophobicContact CE1-CB 4.15Å; F733-L827 HydrophobicContact CE1-CD1 3.92Å; F733-L827 HydrophobicContact CE1-CG 4.43Å; F733-L827 HydrophobicContact CG-CD1 4.31Å; F733-L827 HydrophobicContact CZ-CD1 4.33Å; F733-I869 HydrophobicContact CE2-CG2 4.15Å; F733-I869 HydrophobicContact CZ-CG2 4.12Å; F733-T871 HydrophobicContact CD2-CG2 3.84Å; F733-T871 HydrophobicContact CE2-CG2 3.52Å; F733-T871 HydrophobicContact CZ-CG2 4.07Å
734	H	96.9	Very high	94.4	Very high	28 Å²	28	37 Å²	37	13%	0.13	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.5	165.3	179.2	75.8	0	0	0	110.3	L749 Y769 L770 A826	H734-L749 HydrophobicContact CB-CD1 4.34Å; H734-L749 VanDerWaalsContact CD2-CD2 3.46Å; H734-L749 WeakPolarHBondContact CD2-CD2 3.44Å; H734-Y769 PolarHBondContact ND1-O 2.98Å; H734-L770 HydrophobicContact CB-CD2 4.06Å; H734-L770 HydrophobicContact CB-CG 4.28Å; H734-A826 PolarHBondContact N-O 3.43Å; H734-A826 PolarHBondContact O-N 2.95Å
735	G	95.1	Very high	94.1	Very high	8 Å²	8	33.4 Å²	33.4	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.6	176.6	0	0	0	0	0	112.7	S777 Y780 S781	G735-S777 WeakPolarHBondContact CA-O 3.23Å; G735-S777 PolarHBondContact N-OG 3.04Å; G735-Y780 WeakPolarHBondContact O-CB 3.42Å; G735-S781 VanDerWaalsContact CA-OG 3.22Å; G735-S781 WeakPolarHBondContact CA-OG 3.43Å
736	S	94.9	Very high	93.6	Very high	15 Å²	15	25.2 Å²	25.2	11%	0.105	14%	0.139	C	C	.	.			trans	-156.7	147.2	177.6	-171.5	0	0	0	0	110.9	N740 W741 Y780 S781	S736-N740 PolarHBondContact OG-ND2 3.33Å; S736-W741 PolarHBondContact O-NE1 3.2Å; S736-Y780 CarbonylContact C-O 3.58Å; S736-Y780 WeakPolarHBondContact CA-O 3.47Å; S736-S781 PolarHBondContact N-OG 3.46Å
737	H	93.8	Very high	92.9	Very high	48 Å²	48	20.6 Å²	20.6	22%	0.222	12%	0.116	C	C	.	.			trans	-56.4	141.1	175.6	-86	-128.3	0	0	0	112.5	E739 N740 Y780	H737-E739 HydrophobicContact CB-CG 3.86Å; H737-E739 WeakPolarHBondContact CB-OE2 3.44Å; H737-E739 IonicContact CE1-OE2 3.09Å; H737-E739 IonicContact CG-OE2 3.32Å; H737-E739 IonicContact ND1-OE2 3.3Å; H737-E739 PolarHBondContact ND1-OE2 3.35Å; H737-E739 PolarHBondContact O-N 3.3Å; H737-E739 VanDerWaalsContact O-N 3.13Å; H737-N740 WeakPolarHBondContact O-CB 3.43Å; H737-N740 PolarHBondContact O-N 3.14Å; H737-Y780 PolarHBondContact CD2-O 3.4Å; H737-Y780 PolarHBondContact N-O 3.43Å
738	I	93.2	Very high	92.4	Very high	24 Å²	24	16.7 Å²	16.7	12%	0.123	10%	0.102	C	C	.	.	H	α-helix	trans	-51	-40.1	-177.3	-178.1	163.8	0	0	0	113.5	M601 N740 W741 L822	M601-I738 HydrophobicContact CG-CD1 4.34Å; M601-I738 HydrophobicContact CG-CG1 4.03Å; I738-N740 PolarHBondContact O-N 2.97Å; I738-N740 VanDerWaalsContact O-N 3.11Å; I738-W741 PolarHBondContact O-N 3.5Å; I738-L822 HydrophobicContact CD1-CB 3.59Å; I738-L822 HydrophobicContact CD1-CD1 4.06Å; I738-L822 HydrophobicContact CD1-CG 4.41Å
739	E	94.1	Very high	92.1	Very high	37 Å²	37	15.8 Å²	15.8	17%	0.173	9%	0.089	C	C	.	.	H	α-helix	trans	-54.2	-26.8	176.8	67.6	-157.1	-87.8	0	0	114.9	S604 A605 S608 I614 H737	S604-E739 WeakPolarHBondContact O-CB 3.25Å; A605-E739 WeakPolarHBondContact CB-O 3.38Å; S608-E739 WeakPolarHBondContact CB-OE1 3.29Å; S608-E739 PolarHBondContact OG-OE1 2.8Å; I614-E739 HydrophobicContact CD1-CB 3.82Å; I614-E739 HydrophobicContact CD1-CG 3.75Å; I614-E739 WeakPolarHBondContact CD1-O 3.41Å; H737-E739 HydrophobicContact CB-CG 3.86Å; H737-E739 WeakPolarHBondContact CB-OE2 3.44Å; H737-E739 IonicContact CE1-OE2 3.09Å; H737-E739 IonicContact CG-OE2 3.32Å; H737-E739 IonicContact ND1-OE2 3.3Å; H737-E739 PolarHBondContact ND1-OE2 3.35Å; H737-E739 PolarHBondContact O-N 3.3Å; H737-E739 VanDerWaalsContact O-N 3.13Å
740	N	95.1	Very high	91.9	Very high	15 Å²	15	17 Å²	17	8%	0.08	10%	0.095	C	C	.	.	H	α-helix	trans	-81.9	-23.7	177.5	-60.2	-44.9	0	0	0	112.6	R610 S736 H737 I738 H742 S743 I744	R610-N740 PolarHBondContact NH1-OD1 3.11Å; S736-N740 PolarHBondContact OG-ND2 3.33Å; H737-N740 WeakPolarHBondContact O-CB 3.43Å; H737-N740 PolarHBondContact O-N 3.14Å; I738-N740 PolarHBondContact O-N 2.97Å; I738-N740 VanDerWaalsContact O-N 3.11Å; N740-H742 VanDerWaalsContact C-N 3.32Å; N740-H742 PolarHBondContact O-N 2.95Å; N740-S743 PolarHBondContact O-N 2.82Å; N740-I744 HydrophobicContact CB-CD1 3.98Å; N740-I744 WeakPolarHBondContact O-CG1 3.33Å; N740-I744 PolarHBondContact O-N 2.98Å; N740-I744 VanDerWaalsContact O-N 3.11Å
741	W	93.8	Very high	91.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73	-21.5	-169	-69.6	89	0	0	0	114	M601 S736 I738 S743 I744 L745 C824 A826 F856	M601-W741 HydrophobicContact CE-CB 3.6Å; M601-W741 HydrophobicContact CE-CG 4.23Å; M601-W741 HydrophobicContact CG-CB 4.18Å; M601-W741 HydrophobicContact SD-CB 3.53Å; M601-W741 VanDerWaalsContact SD-CB 3.53Å; S736-W741 PolarHBondContact O-NE1 3.2Å; I738-W741 PolarHBondContact O-N 3.5Å; W741-S743 PolarHBondContact O-N 3Å; W741-I744 HydrophobicContact CD2-CB 4.41Å; W741-I744 HydrophobicContact CD2-CD1 3.94Å; W741-I744 HydrophobicContact CE3-CB 3.83Å; W741-I744 HydrophobicContact CE3-CD1 4.04Å; W741-I744 HydrophobicContact CE3-CG2 3.66Å; W741-I744 HydrophobicContact CG-CD1 4.35Å; W741-I744 HydrophobicContact CH2-CG2 4.45Å; W741-I744 HydrophobicContact CZ2-CD1 4.45Å; W741-I744 HydrophobicContact CZ3-CB 4.26Å; W741-I744 HydrophobicContact CZ3-CD1 4.33Å; W741-I744 HydrophobicContact CZ3-CG2 3.57Å; W741-I744 PolarHBondContact O-N 3.16Å; W741-L745 WeakPolarHBondContact O-CB 3.47Å; W741-L745 WeakPolarHBondContact O-CG 3.32Å; W741-L745 PolarHBondContact O-N 2.88Å; W741-C824 HydrophobicContact CG-CB 4.37Å; W741-A826 HydrophobicContact CH2-CB 3.57Å; W741-A826 HydrophobicContact CZ3-CB 4.12Å; W741-F856 AromaticContact CD2-CE2 3.56Å; W741-F856 HydrophobicContact CD2-CE2 3.56Å; W741-F856 AromaticContact CD2-CZ 3.96Å; W741-F856 HydrophobicContact CD2-CZ 3.96Å; W741-F856 AromaticContact CE2-CE2 3.78Å; W741-F856 HydrophobicContact CE3-CD2 4.19Å; W741-F856 AromaticContact CE3-CE2 3.42Å; W741-F856 HydrophobicContact CE3-CE2 3.42Å; W741-F856 VanDerWaalsContact CE3-CE2 3.42Å; W741-F856 HydrophobicContact CE3-CZ 4.1Å; W741-F856 HydrophobicContact CG-CE2 4.31Å; W741-F856 HydrophobicContact CG-CZ 4.24Å; W741-F856 HydrophobicContact CH2-CD2 4.27Å; W741-F856 AromaticContact CH2-CE2 3.84Å; W741-F856 HydrophobicContact CH2-CE2 3.84Å; W741-F856 AromaticContact CZ2-CE2 3.93Å; W741-F856 HydrophobicContact CZ2-CE2 3.93Å; W741-F856 AromaticContact CZ3-CD2 3.98Å; W741-F856 HydrophobicContact CZ3-CD2 3.98Å; W741-F856 AromaticContact CZ3-CE2 3.58Å; W741-F856 HydrophobicContact CZ3-CE2 3.58Å
742	H	92.6	Very high	91.6	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.032	11%	0.114	C	C	.	.	H	α-helix	trans	-49.8	-45.1	164.5	174.7	85	0	0	0	111.1	A605 F615 P617 N740 R746	A605-H742 HydrophobicContact CB-CB 3.71Å; F615-H742 AromaticContact CD2-CD2 3.7Å; F615-H742 AromaticContact CD2-CE1 3.82Å; F615-H742 AromaticContact CD2-NE2 3.55Å; F615-H742 AromaticContact CE2-CE1 3.44Å; F615-H742 VanDerWaalsContact CE2-CE1 3.44Å; F615-H742 WeakPolarHBondContact CE2-CE1 3.17Å; F615-H742 AromaticContact CE2-ND1 3.84Å; F615-H742 AromaticContact CE2-NE2 3.62Å; P617-H742 PolarHBondContact O-NE2 3.12Å; N740-H742 VanDerWaalsContact C-N 3.32Å; N740-H742 PolarHBondContact O-N 2.95Å; H742-R746 WeakPolarHBondContact O-CD 3.32Å; H742-R746 WeakPolarHBondContact O-CG 3.33Å
743	S	90.4	Very high	91.4	Very high	17 Å²	17	20.2 Å²	20.2	12%	0.119	12%	0.118	C	C	.	.	H	α-helix	trans	-81.1	-40.7	178.7	-151.7	0	0	0	0	112.5	E616 N740 W741 L745 R746 N747	E616-S743 WeakPolarHBondContact O-CA 3.44Å; E616-S743 WeakPolarHBondContact O-CB 3.44Å; E616-S743 PolarHBondContact O-OG 2.98Å; N740-S743 PolarHBondContact O-N 2.82Å; W741-S743 PolarHBondContact O-N 3Å; S743-L745 PolarHBondContact O-N 3.34Å; S743-R746 CarbonylContact O-C 3.39Å; S743-R746 PolarHBondContact O-N 2.87Å; S743-N747 WeakPolarHBondContact O-CB 3.47Å; S743-N747 PolarHBondContact O-N 3.27Å; S743-N747 PolarHBondContact O-ND2 3.5Å; S743-N747 PolarHBondContact OG-ND2 3.27Å
744	I	90.4	Very high	91.2	Very high	22 Å²	22	26.7 Å²	26.7	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-177.6	-61.2	164.8	0	0	0	111.7	N740 W741 R746 G748 L749	N740-I744 HydrophobicContact CB-CD1 3.98Å; N740-I744 WeakPolarHBondContact O-CG1 3.33Å; N740-I744 PolarHBondContact O-N 2.98Å; N740-I744 VanDerWaalsContact O-N 3.11Å; W741-I744 HydrophobicContact CD2-CB 4.41Å; W741-I744 HydrophobicContact CD2-CD1 3.94Å; W741-I744 HydrophobicContact CE3-CB 3.83Å; W741-I744 HydrophobicContact CE3-CD1 4.04Å; W741-I744 HydrophobicContact CE3-CG2 3.66Å; W741-I744 HydrophobicContact CG-CD1 4.35Å; W741-I744 HydrophobicContact CH2-CG2 4.45Å; W741-I744 HydrophobicContact CZ2-CD1 4.45Å; W741-I744 HydrophobicContact CZ3-CB 4.26Å; W741-I744 HydrophobicContact CZ3-CD1 4.33Å; W741-I744 HydrophobicContact CZ3-CG2 3.57Å; W741-I744 PolarHBondContact O-N 3.16Å; I744-R746 PolarHBondContact O-N 3.36Å; I744-R746 VanDerWaalsContact O-N 3.11Å; I744-G748 CarbonylContact O-C 3.57Å; I744-G748 VanDerWaalsContact O-CA 3.22Å; I744-G748 WeakPolarHBondContact O-CA 3.49Å; I744-G748 PolarHBondContact O-N 2.97Å; I744-L749 HydrophobicContact CD1-CD2 4.35Å; I744-L749 HydrophobicContact CG1-CD2 4.48Å; I744-L749 HydrophobicContact CG2-CD2 3.62Å; I744-L749 HydrophobicContact CG2-CG 4.18Å
745	L	86.3	Confident	91	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-67.6	-9.5	176	-66.3	-173.6	0	0	0	113.8	L598 M601 N685 R686 S687 L709 W741 S743	L598-L745 HydrophobicContact CD2-CD1 3.79Å; M601-L745 HydrophobicContact CE-CD1 3.97Å; M601-L745 HydrophobicContact SD-CD1 3.44Å; M601-L745 WeakPolarHBondContact SD-CD1 3.07Å; M601-L745 HydrophobicContact SD-CG 4.21Å; N685-L745 PolarHBondContact OD1-O 3.11Å; R686-L745 PolarHBondContact N-O 2.72Å; S687-L745 PolarHBondContact N-O 3.11Å; S687-L745 WeakPolarHBondContact OG-CA 3.45Å; S687-L745 PolarHBondContact OG-O 3Å; L709-L745 HydrophobicContact CD1-CD2 3.56Å; L709-L745 HydrophobicContact CD2-CD2 3.9Å; L709-L745 HydrophobicContact CG-CD2 4.41Å; W741-L745 WeakPolarHBondContact O-CB 3.47Å; W741-L745 WeakPolarHBondContact O-CG 3.32Å; W741-L745 PolarHBondContact O-N 2.88Å; S743-L745 PolarHBondContact O-N 3.34Å
746	R	82.1	Confident	90.7	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-117	-18	-173.9	-63	-179	171.4	-129.5	-13.8	114	P617 V681 S684 R686 H742 S743 I744	P617-R746 HydrophobicContact CG-CB 4.47Å; V681-R746 PolarHBondContact O-NH2 3.31Å; S684-R746 VanDerWaalsContact O-CZ 3.23Å; S684-R746 PolarHBondContact O-NE 3.31Å; S684-R746 PolarHBondContact O-NH1 2.69Å; S684-R746 VanDerWaalsContact OG-CZ 3.24Å; S684-R746 PolarHBondContact OG-NH1 3.26Å; S684-R746 PolarHBondContact OG-NH2 3.37Å; R686-R746 WeakPolarHBondContact CD-O 3.27Å; R686-R746 HydrophobicContact CG-CB 4.43Å; R686-R746 WeakPolarHBondContact CG-O 3.44Å; R686-R746 PolarHBondContact NH1-O 3.33Å; H742-R746 WeakPolarHBondContact O-CD 3.32Å; H742-R746 WeakPolarHBondContact O-CG 3.33Å; S743-R746 CarbonylContact O-C 3.39Å; S743-R746 PolarHBondContact O-N 2.87Å; I744-R746 PolarHBondContact O-N 3.36Å; I744-R746 VanDerWaalsContact O-N 3.11Å
747	N	79.9	Confident	90.5	Very high	39 Å²	39	39.3 Å²	39.3	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-128.9	-4.3	-177.8	-64	-44.3	0	0	0	112.9	N557 E616 R686 S743	N557-N747 WeakPolarHBondContact ND2-CB 3.48Å; N557-N747 PolarHBondContact ND2-OD1 2.88Å; E616-N747 PolarHBondContact O-ND2 2.7Å; R686-N747 PolarHBondContact NH1-OD1 2.94Å; S743-N747 WeakPolarHBondContact O-CB 3.47Å; S743-N747 PolarHBondContact O-N 3.27Å; S743-N747 PolarHBondContact O-ND2 3.5Å; S743-N747 PolarHBondContact OG-ND2 3.27Å
748	G	84.3	Confident	90.5	Very high	11 Å²	11	40.1 Å²	40.1	11%	0.113	21%	0.21	C	C	.	.			trans	75	-173.6	-171.4	0	0	0	0	0	112.9	I744	I744-G748 CarbonylContact O-C 3.57Å; I744-G748 VanDerWaalsContact O-CA 3.22Å; I744-G748 WeakPolarHBondContact O-CA 3.49Å; I744-G748 PolarHBondContact O-N 2.97Å
749	L	89.2	Confident	90.2	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.063	22%	0.223	C	C	.	.	S	Bend	trans	-80	126.3	166.9	-66.7	173.8	0	0	0	109.2	H734 I744 I768 V851 T853	H734-L749 HydrophobicContact CB-CD1 4.34Å; H734-L749 VanDerWaalsContact CD2-CD2 3.46Å; H734-L749 WeakPolarHBondContact CD2-CD2 3.44Å; I744-L749 HydrophobicContact CD1-CD2 4.35Å; I744-L749 HydrophobicContact CG1-CD2 4.48Å; I744-L749 HydrophobicContact CG2-CD2 3.62Å; I744-L749 HydrophobicContact CG2-CG 4.18Å; L749-I768 HydrophobicContact CB-CD1 3.91Å; L749-I768 HydrophobicContact CB-CG2 4.42Å; L749-I768 HydrophobicContact CD1-CG2 4.43Å; L749-V851 HydrophobicContact CD1-CG1 4.17Å; L749-T853 HydrophobicContact CD1-CG2 4.06Å; L749-T853 HydrophobicContact CG-CG2 4.38Å
750	V	89.9	Confident	89.9	Confident	56 Å²	56	45.5 Å²	45.5	34%	0.339	24%	0.236	S	C	.	.			trans	-121.5	154	-177.3	-61.6	0	0	0	0	111.1	A752 L757	V750-A752 PolarHBondContact O-N 2.72Å; V750-L757 HydrophobicContact CG2-CD1 4.25Å
751	V	93.4	Very high	89.5	Confident	38 Å²	38	47.7 Å²	47.7	23%	0.23	26%	0.262	C	S	.	.			trans	-71.8	95.4	174	178.7	0	0	0	0	109.5	S753 S766 I768 P846 T848	V751-S753 VanDerWaalsContact C-N 3.32Å; V751-S766 WeakPolarHBondContact CG1-OG 3.39Å; V751-I768 HydrophobicContact CG2-CG1 4.22Å; V751-P846 WeakPolarHBondContact CG2-O 3.17Å; V751-T848 HydrophobicContact CG2-CG2 4.11Å
752	A	92.8	Very high	89.4	Confident	28 Å²	28	49.1 Å²	49.1	23%	0.231	27%	0.274	C	S	.	.			trans	-79.4	-11.4	-178.5	0	0	0	0	0	113.9	V750 N754 T755 L757 Q758	V750-A752 PolarHBondContact O-N 2.72Å; A752-N754 PolarHBondContact O-N 3.02Å; A752-T755 WeakPolarHBondContact O-CB 3.29Å; A752-T755 PolarHBondContact O-N 3.11Å; A752-T755 VanDerWaalsContact O-N 3.11Å; A752-T755 PolarHBondContact O-OG1 2.86Å; A752-L757 HydrophobicContact CB-CB 3.91Å; A752-Q758 WeakPolarHBondContact O-CB 3.33Å
753	S	93.9	Very high	89.4	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.091	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	133.6	-178.2	-55	0	0	0	0	112.5	V751 T755 S766 G767	V751-S753 VanDerWaalsContact C-N 3.32Å; S753-T755 PolarHBondContact O-N 3.11Å; S753-S766 WeakPolarHBondContact CB-OG 3.47Å; S753-G767 PolarHBondContact OG-N 3.18Å; S753-G767 VanDerWaalsContact OG-N 3.17Å; S753-G767 PolarHBondContact OG-O 2.69Å
754	N	92.8	Very high	89.5	Confident	135 Å²	135	59.3 Å²	59.3	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	15	-176.7	-49.6	-50.2	0	0	0	115	A752	A752-N754 PolarHBondContact O-N 3.02Å
755	T	92.3	Very high	89.7	Confident	64 Å²	64	60 Å²	60	39%	0.393	33%	0.331	S	S	.	.	S	Bend	trans	-109.7	170.5	175.5	80	0	0	0	0	112.3	A752 S753 L757 Q758	A752-T755 WeakPolarHBondContact O-CB 3.29Å; A752-T755 PolarHBondContact O-N 3.11Å; A752-T755 VanDerWaalsContact O-N 3.11Å; A752-T755 PolarHBondContact O-OG1 2.86Å; S753-T755 PolarHBondContact O-N 3.11Å; T755-L757 PolarHBondContact O-N 3.46Å; T755-L757 VanDerWaalsContact O-N 3.13Å; T755-L757 WeakPolarHBondContact OG1-CB 3.39Å; T755-L757 PolarHBondContact OG1-N 3.16Å; T755-L757 VanDerWaalsContact OG1-N 3.09Å; T755-Q758 VanDerWaalsContact O-CB 3.32Å; T755-Q758 WeakPolarHBondContact O-CB 3.43Å; T755-Q758 PolarHBondContact O-N 3Å; T755-Q758 VanDerWaalsContact O-N 3.13Å
756	R	90.6	Very high	90.1	Very high	191 Å²	191	62.6 Å²	62.6	72%	0.721	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.5	171.7	-64.3	178	67.1	-161.4	0.9	114	V613	V613-R756 HydrophobicContact CG1-CB 3.95Å
757	L	90.1	Very high	90.8	Very high	61 Å²	61	62.6 Å²	62.6	32%	0.319	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	177.5	-68	165.5	0	0	0	112.8	R610 V613 I614 V750 A752 T755 L759	R610-L757 PolarHBondContact NH2-O 2.96Å; R610-L757 VanDerWaalsContact NH2-O 3.14Å; V613-L757 HydrophobicContact CG1-CD2 4.01Å; I614-L757 HydrophobicContact CG2-CD2 4.24Å; V750-L757 HydrophobicContact CG2-CD1 4.25Å; A752-L757 HydrophobicContact CB-CB 3.91Å; T755-L757 PolarHBondContact O-N 3.46Å; T755-L757 VanDerWaalsContact O-N 3.13Å; T755-L757 WeakPolarHBondContact OG1-CB 3.39Å; T755-L757 PolarHBondContact OG1-N 3.16Å; T755-L757 VanDerWaalsContact OG1-N 3.09Å; L757-L759 PolarHBondContact O-N 2.93Å
758	Q	92.4	Very high	91.5	Very high	65 Å²	65	61 Å²	61	30%	0.304	34%	0.342	S	S	.	.			trans	-60.2	122.4	-175.4	-169.7	172.5	-6.9	0	0	112.7	A752 T755 H760	A752-Q758 WeakPolarHBondContact O-CB 3.33Å; T755-Q758 VanDerWaalsContact O-CB 3.32Å; T755-Q758 WeakPolarHBondContact O-CB 3.43Å; T755-Q758 PolarHBondContact O-N 3Å; T755-Q758 VanDerWaalsContact O-N 3.13Å; Q758-H760 WeakPolarHBondContact CG-O 3.45Å; Q758-H760 PolarHBondContact NE2-O 3.24Å
759	L	87.9	Confident	92.2	Very high	75 Å²	75	63 Å²	63	39%	0.393	35%	0.347	S	S	.	.			trans	-100.8	-27.6	172.8	-81.8	173.5	0	0	0	113.6	L757	L757-L759 PolarHBondContact O-N 2.93Å
760	H	87.1	Confident	92.6	Very high	100 Å²	100	62.7 Å²	62.7	46%	0.463	35%	0.345	S	S	.	.	S	Bend	trans	-131.5	151.2	-171.1	-54.4	-56.4	0	0	0	110.3	Q758 Y780	Q758-H760 WeakPolarHBondContact CG-O 3.45Å; Q758-H760 PolarHBondContact NE2-O 3.24Å; H760-Y780 HydrophobicContact CB-CE1 4.45Å; H760-Y780 AromaticContact CD2-CD1 3.53Å; H760-Y780 AromaticContact CD2-CE1 3.71Å; H760-Y780 AromaticContact CG-CE1 3.87Å; H760-Y780 AromaticContact NE2-CD1 3.57Å
761	G	87.4	Confident	92.9	Very high	60 Å²	60	60 Å²	60	62%	0.619	33%	0.329	S	S	*	.			trans	-61.8	138	-178.5	0	0	0	0	0	112.3	M763	G761-M763 PolarHBondContact O-N 3.47Å
762	A	91.2	Very high	93.1	Very high	31 Å²	31	58.2 Å²	58.2	26%	0.256	32%	0.318	S	S	.	.			trans	-79.2	52.7	177.4	0	0	0	0	0	111.3	Y764 G765 Y769	A762-Y764 VanDerWaalsContact C-N 3.27Å; A762-Y764 PolarHBondContact O-N 2.69Å; A762-G765 PolarHBondContact O-N 3.48Å; A762-G765 VanDerWaalsContact O-N 3.07Å; A762-Y769 WeakPolarHBondContact CA-OH 3.33Å
763	M	92.6	Very high	93.2	Very high	154 Å²	154	59.3 Å²	59.3	76%	0.759	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.2	-168.3	-176.3	179.3	-70.9	0	0	113.5	G761 Y769	G761-M763 PolarHBondContact O-N 3.47Å; M763-Y769 PolarHBondContact N-OH 2.91Å
764	Y	93.7	Very high	93.1	Very high	83 Å²	83	58.7 Å²	58.7	33%	0.325	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	30.9	178.8	-58.4	-53.2	0	0	0	111.6	A762 Y769 H839 I842	A762-Y764 VanDerWaalsContact C-N 3.27Å; A762-Y764 PolarHBondContact O-N 2.69Å; Y764-Y769 HydrophobicContact CD2-CE1 4.25Å; Y764-Y769 PolarHBondContact N-OH 3.44Å; Y764-H839 HydrophobicContact CD1-CB 3.89Å; Y764-H839 AromaticContact CD1-CD2 3.98Å; Y764-H839 AromaticContact CD1-CG 3.51Å; Y764-H839 AromaticContact CD1-ND1 3.58Å; Y764-H839 HydrophobicContact CD2-CB 4.06Å; Y764-H839 HydrophobicContact CE1-CB 3.96Å; Y764-H839 HydrophobicContact CE2-CB 4.12Å; Y764-H839 HydrophobicContact CG-CB 3.94Å; Y764-H839 AromaticContact CG-CD2 3.78Å; Y764-H839 AromaticContact CG-CG 3.67Å; Y764-I842 HydrophobicContact CD2-CB 4.3Å; Y764-I842 HydrophobicContact CD2-CG2 3.75Å; Y764-I842 HydrophobicContact CE2-CB 4.12Å; Y764-I842 HydrophobicContact CE2-CD1 4.02Å; Y764-I842 HydrophobicContact CE2-CG2 3.98Å
765	G	93.9	Very high	93.1	Very high	36 Å²	36	54 Å²	54	37%	0.371	29%	0.292	S	S	.	.			trans	88.7	-174.6	179.8	0	0	0	0	0	114.4	A762 Y769	A762-G765 PolarHBondContact O-N 3.48Å; A762-G765 VanDerWaalsContact O-N 3.07Å; G765-Y769 PolarHBondContact N-OH 2.84Å; G765-Y769 WeakPolarHBondContact O-CE2 3.25Å; G765-Y769 PolarHBondContact O-OH 3.07Å
766	S	95.8	Very high	93.2	Very high	58 Å²	58	53.1 Å²	53.1	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	-85.7	127.5	-175.7	-172	0	0	0	0	111.3	V751 S753	V751-S766 WeakPolarHBondContact CG1-OG 3.39Å; S753-S766 WeakPolarHBondContact CB-OG 3.47Å
767	G	95.3	Very high	93.4	Very high	4 Å²	4	44.2 Å²	44.2	4%	0.041	25%	0.252	C	S	.	.	S	Bend	trans	165.6	-175.4	176.9	0	0	0	0	0	114.2	S753 Y769 V845	S753-G767 PolarHBondContact OG-N 3.18Å; S753-G767 VanDerWaalsContact OG-N 3.17Å; S753-G767 PolarHBondContact OG-O 2.69Å; G767-Y769 WeakPolarHBondContact O-CD2 3.5Å; G767-V845 CarbonylContact C-O 3.5Å; G767-V845 WeakPolarHBondContact CA-O 3.37Å
768	I	96.1	Very high	93.6	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129	167.1	-58.7	165.1	0	0	0	107.7	L749 V751 L770 V844 V845 T848 V851	L749-I768 HydrophobicContact CB-CD1 3.91Å; L749-I768 HydrophobicContact CB-CG2 4.42Å; L749-I768 HydrophobicContact CD1-CG2 4.43Å; V751-I768 HydrophobicContact CG2-CG1 4.22Å; I768-L770 HydrophobicContact CB-CD1 4.34Å; I768-L770 HydrophobicContact CG2-CD1 3.78Å; I768-L770 HydrophobicContact CG2-CG 4.38Å; I768-V844 WeakPolarHBondContact O-CA 3.49Å; I768-V845 PolarHBondContact N-O 3.42Å; I768-V845 PolarHBondContact O-N 3.04Å; I768-T848 HydrophobicContact CD1-CG2 4.38Å; I768-V851 HydrophobicContact CD1-CB 4.29Å; I768-V851 HydrophobicContact CD1-CG2 4.14Å
769	Y	97.3	Very high	93.5	Very high	53 Å²	53	39.6 Å²	39.6	21%	0.208	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.7	179.8	-78.5	-119.6	0	0	0	110.1	H734 A762 M763 Y764 G765 G767 I842 W843 V844	H734-Y769 PolarHBondContact ND1-O 2.98Å; A762-Y769 WeakPolarHBondContact CA-OH 3.33Å; M763-Y769 PolarHBondContact N-OH 2.91Å; Y764-Y769 HydrophobicContact CD2-CE1 4.25Å; Y764-Y769 PolarHBondContact N-OH 3.44Å; G765-Y769 PolarHBondContact N-OH 2.84Å; G765-Y769 WeakPolarHBondContact O-CE2 3.25Å; G765-Y769 PolarHBondContact O-OH 3.07Å; G767-Y769 WeakPolarHBondContact O-CD2 3.5Å; Y769-I842 HydrophobicContact CD1-CG2 3.97Å; Y769-I842 HydrophobicContact CE1-CG2 4.38Å; Y769-W843 WeakPolarHBondContact CA-O 3.32Å; Y769-V844 HydrophobicContact CD1-CG2 3.88Å; Y769-V844 HydrophobicContact CD2-CG1 4.25Å; Y769-V844 HydrophobicContact CD2-CG2 4.06Å; Y769-V844 HydrophobicContact CE1-CG2 3.57Å; Y769-V844 HydrophobicContact CE2-CB 4.44Å; Y769-V844 HydrophobicContact CE2-CG1 3.84Å; Y769-V844 HydrophobicContact CE2-CG2 3.73Å; Y769-V844 HydrophobicContact CG-CG2 4.12Å; Y769-V844 VanDerWaalsContact CZ-CG2 3.46Å
770	L	97.6	Very high	93.7	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	169.4	176.2	-59.7	103.1	0	0	0	110.8	A732 F733 H734 I768 C828 V830 W843 V845 V851	A732-L770 HydrophobicContact CB-CB 3.86Å; A732-L770 HydrophobicContact CB-CD2 4.14Å; F733-L770 WeakPolarHBondContact O-CA 3.12Å; H734-L770 HydrophobicContact CB-CD2 4.06Å; H734-L770 HydrophobicContact CB-CG 4.28Å; I768-L770 HydrophobicContact CB-CD1 4.34Å; I768-L770 HydrophobicContact CG2-CD1 3.78Å; I768-L770 HydrophobicContact CG2-CG 4.38Å; L770-C828 HydrophobicContact CD2-CB 3.58Å; L770-V830 HydrophobicContact CD1-CG2 4.43Å; L770-V830 HydrophobicContact CD2-CG2 3.94Å; L770-W843 PolarHBondContact N-O 2.88Å; L770-W843 PolarHBondContact O-N 3.32Å; L770-V845 HydrophobicContact CD1-CG2 3.59Å; L770-V851 HydrophobicContact CD1-CG2 4.31Å; L770-V851 HydrophobicContact CD2-CG1 4.32Å
771	S	97.2	Very high	94	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-144.6	137	175.6	161.1	0	0	0	0	110.4	F733 M773 I776 E841	F733-S771 PolarHBondContact N-O 3.09Å; F733-S771 PolarHBondContact O-N 3.27Å; S771-M773 VanDerWaalsContact C-N 3.25Å; S771-M773 WeakPolarHBondContact OG-CA 3.33Å; S771-M773 PolarHBondContact OG-N 3.46Å; S771-M773 PolarHBondContact OG-O 2.85Å; S771-I776 WeakPolarHBondContact OG-CB 3.07Å; S771-E841 WeakPolarHBondContact CA-O 3.45Å; S771-E841 VanDerWaalsContact CB-O 3.25Å; S771-E841 WeakPolarHBondContact CB-O 3.45Å; S771-E841 PolarHBondContact OG-O 2.82Å
772	P	96.5	Very high	93.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-69.8	-24.9	169.6	32.4	-35.7	0	0	0	112.1	E841 W843 N870 T871 Q872	P772-E841 WeakPolarHBondContact CD-O 3.25Å; P772-E841 VanDerWaalsContact CG-OE2 3.29Å; P772-E841 WeakPolarHBondContact CG-OE2 3.49Å; P772-W843 HydrophobicContact CB-CH2 4.26Å; P772-W843 HydrophobicContact CB-CZ2 4.04Å; P772-W843 HydrophobicContact CG-CZ2 3.83Å; P772-N870 WeakPolarHBondContact O-CA 3.33Å; P772-T871 VanDerWaalsContact CA-OG1 3.26Å; P772-T871 WeakPolarHBondContact CA-OG1 3.28Å; P772-T871 VanDerWaalsContact CB-OG1 3.24Å; P772-T871 WeakPolarHBondContact CB-OG1 3.44Å; P772-T871 PolarHBondContact O-N 3.28Å; P772-T871 PolarHBondContact O-OG1 2.94Å; P772-Q872 HydrophobicContact CB-CG 3.9Å
773	M	95.3	Very high	93.4	Very high	52 Å²	52	32.3 Å²	32.3	26%	0.256	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-82.3	132.6	173	-62.9	-164.5	77.7	0	0	112.1	S771 I776 E841 I869	S771-M773 VanDerWaalsContact C-N 3.25Å; S771-M773 WeakPolarHBondContact OG-CA 3.33Å; S771-M773 PolarHBondContact OG-N 3.46Å; S771-M773 PolarHBondContact OG-O 2.85Å; M773-I776 HydrophobicContact CB-CD1 4.33Å; M773-I776 HydrophobicContact CB-CG1 4.42Å; M773-E841 HydrophobicContact CG-CB 4.22Å; M773-E841 HydrophobicContact CG-CG 4.16Å; M773-E841 HydrophobicContact SD-CB 4.28Å; M773-E841 HydrophobicContact SD-CG 3.84Å; M773-I869 CarbonylContact C-O 3.56Å; M773-I869 WeakPolarHBondContact CA-O 3.22Å
774	S	93.3	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-42	177.7	60.5	0	0	0	0	113.3	I776 S777 F778 D866 A867 I869	S774-I776 VanDerWaalsContact C-N 3.31Å; S774-I776 PolarHBondContact O-N 3.33Å; S774-S777 PolarHBondContact O-N 2.6Å; S774-S777 VanDerWaalsContact O-N 3.09Å; S774-F778 WeakPolarHBondContact O-CG 3.43Å; S774-F778 PolarHBondContact O-N 3.24Å; S774-D866 PolarHBondContact OG-O 3.09Å; S774-A867 VanDerWaalsContact OG-CA 3.32Å; S774-A867 WeakPolarHBondContact OG-CA 3.4Å; S774-A867 PolarHBondContact OG-O 3.45Å; S774-I869 PolarHBondContact N-O 2.93Å; S774-I869 PolarHBondContact OG-N 3.23Å
775	S	92.5	Very high	90.4	Very high	35 Å²	35	33 Å²	33	25%	0.245	18%	0.184	C	C	.	.	H	α-helix	trans	-50.4	-42.4	180	33.3	0	0	0	0	114.7	G779 A867	S775-G779 PolarHBondContact O-N 2.93Å; S775-A867 WeakPolarHBondContact CB-O 3.33Å; S775-A867 PolarHBondContact N-O 3.31Å; S775-A867 VanDerWaalsContact N-O 3.17Å; S775-A867 PolarHBondContact OG-O 3.24Å
776	I	94.2	Very high	88.2	Confident	47 Å²	47	41.1 Å²	41.1	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-50.8	178.7	-64.5	178.2	0	0	0	109.6	S771 M773 S774 G779 Y780 E841 I842	S771-I776 WeakPolarHBondContact OG-CB 3.07Å; M773-I776 HydrophobicContact CB-CD1 4.33Å; M773-I776 HydrophobicContact CB-CG1 4.42Å; S774-I776 VanDerWaalsContact C-N 3.31Å; S774-I776 PolarHBondContact O-N 3.33Å; I776-G779 WeakPolarHBondContact O-CA 3.27Å; I776-G779 PolarHBondContact O-N 3.1Å; I776-G779 VanDerWaalsContact O-N 3.09Å; I776-Y780 HydrophobicContact CG2-CD2 4.22Å; I776-Y780 HydrophobicContact CG2-CE2 3.83Å; I776-Y780 VanDerWaalsContact O-CD2 3.25Å; I776-Y780 WeakPolarHBondContact O-CD2 3.39Å; I776-Y780 PolarHBondContact O-N 3.4Å; I776-E841 HydrophobicContact CD1-CB 3.61Å; I776-I842 HydrophobicContact CD1-CG1 4.35Å; I776-I842 HydrophobicContact CG2-CG1 4.38Å
777	S	94.9	Very high	85.7	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-36.6	179.1	-75.4	0	0	0	0	112.8	F733 G735 S774 G779 Y780 S781	F733-S777 PolarHBondContact O-OG 2.92Å; G735-S777 WeakPolarHBondContact CA-O 3.23Å; G735-S777 PolarHBondContact N-OG 3.04Å; S774-S777 PolarHBondContact O-N 2.6Å; S774-S777 VanDerWaalsContact O-N 3.09Å; S777-G779 PolarHBondContact O-N 2.85Å; S777-Y780 CarbonylContact O-C 3.6Å; S777-Y780 PolarHBondContact O-N 3.45Å; S777-S781 PolarHBondContact O-N 3.13Å; S777-S781 PolarHBondContact O-OG 3.18Å
778	F	92.6	Very high	82.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-32.8	169.8	-67.3	-26	0	0	0	112.7	S774 S781 G782 M783 I825 Y859 V864 G865 D866 A867	S774-F778 WeakPolarHBondContact O-CG 3.43Å; S774-F778 PolarHBondContact O-N 3.24Å; F778-S781 PolarHBondContact O-N 2.96Å; F778-G782 PolarHBondContact O-N 2.91Å; F778-M783 HydrophobicContact CB-CB 4.24Å; F778-M783 HydrophobicContact CB-SD 3.74Å; F778-M783 HydrophobicContact CD1-CE 3.92Å; F778-M783 HydrophobicContact CD1-SD 3.2Å; F778-M783 WeakPolarHBondContact CD1-SD 3.47Å; F778-M783 HydrophobicContact CE1-CE 4.28Å; F778-M783 HydrophobicContact CE1-SD 3.88Å; F778-M783 HydrophobicContact CG-SD 3.62Å; F778-M783 WeakPolarHBondContact O-CB 3.46Å; F778-M783 PolarHBondContact O-N 2.79Å; F778-I825 HydrophobicContact CD1-CD1 3.52Å; F778-I825 HydrophobicContact CE1-CD1 3.66Å; F778-I825 HydrophobicContact CE1-CG2 4.18Å; F778-Y859 HydrophobicContact CE1-CE2 4.28Å; F778-V864 HydrophobicContact CB-CG1 4.32Å; F778-V864 HydrophobicContact CD1-CG1 4.4Å; F778-V864 HydrophobicContact CD2-CG1 3.42Å; F778-V864 VanDerWaalsContact CD2-CG1 3.42Å; F778-V864 HydrophobicContact CE2-CG1 3.64Å; F778-V864 HydrophobicContact CG-CG1 3.84Å; F778-V864 HydrophobicContact CZ-CG1 4.23Å; F778-G865 WeakPolarHBondContact CE2-O 3.47Å; F778-D866 WeakPolarHBondContact CE2-O 3.37Å; F778-A867 HydrophobicContact CD2-CB 4.22Å; F778-A867 HydrophobicContact CE2-CB 4.35Å
779	G	91.3	Very high	79.9	Confident	30 Å²	30	59.5 Å²	59.5	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-49.6	169.9	0	0	0	0	0	112.9	S775 I776 S777 S781 G782 N784	S775-G779 PolarHBondContact O-N 2.93Å; I776-G779 WeakPolarHBondContact O-CA 3.27Å; I776-G779 PolarHBondContact O-N 3.1Å; I776-G779 VanDerWaalsContact O-N 3.09Å; S777-G779 PolarHBondContact O-N 2.85Å; G779-S781 VanDerWaalsContact C-N 3.34Å; G779-G782 PolarHBondContact O-N 3.01Å; G779-N784 WeakPolarHBondContact CA-ND2 3.45Å
780	Y	92.9	Very high	76.7	Confident	89 Å²	89	62.4 Å²	62.4	35%	0.349	32%	0.32	S	S	.	.	H	α-helix	trans	-72.3	-22.8	177.6	-66.6	-71.2	0	0	0	113.9	G735 S736 H737 H760 I776 S777 G782	G735-Y780 WeakPolarHBondContact O-CB 3.42Å; S736-Y780 CarbonylContact C-O 3.58Å; S736-Y780 WeakPolarHBondContact CA-O 3.47Å; H737-Y780 PolarHBondContact CD2-O 3.4Å; H737-Y780 PolarHBondContact N-O 3.43Å; H760-Y780 HydrophobicContact CB-CE1 4.45Å; H760-Y780 AromaticContact CD2-CD1 3.53Å; H760-Y780 AromaticContact CD2-CE1 3.71Å; H760-Y780 AromaticContact CG-CE1 3.87Å; H760-Y780 AromaticContact NE2-CD1 3.57Å; I776-Y780 HydrophobicContact CG2-CD2 4.22Å; I776-Y780 HydrophobicContact CG2-CE2 3.83Å; I776-Y780 VanDerWaalsContact O-CD2 3.25Å; I776-Y780 WeakPolarHBondContact O-CD2 3.39Å; I776-Y780 PolarHBondContact O-N 3.4Å; S777-Y780 CarbonylContact O-C 3.6Å; S777-Y780 PolarHBondContact O-N 3.45Å; Y780-G782 PolarHBondContact O-N 2.85Å
781	S	91.8	Very high	73.6	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.007	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.1	166.6	-63	0	0	0	0	113.9	G735 S736 S777 F778 G779 M783 K823 C824	G735-S781 VanDerWaalsContact CA-OG 3.22Å; G735-S781 WeakPolarHBondContact CA-OG 3.43Å; S736-S781 PolarHBondContact N-OG 3.46Å; S777-S781 PolarHBondContact O-N 3.13Å; S777-S781 PolarHBondContact O-OG 3.18Å; F778-S781 PolarHBondContact O-N 2.96Å; G779-S781 VanDerWaalsContact C-N 3.34Å; S781-M783 VanDerWaalsContact C-N 3.31Å; S781-M783 PolarHBondContact O-N 2.78Å; S781-K823 WeakPolarHBondContact O-CD 3.32Å; S781-C824 VanDerWaalsContact CB-O 3.23Å; S781-C824 WeakPolarHBondContact CB-O 3.49Å; S781-C824 PolarHBondContact OG-O 3.31Å
782	G	86.1	Confident	70.5	Confident	7 Å²	7	76.4 Å²	76.4	7%	0.072	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	13.4	-179.9	0	0	0	0	0	114.8	F778 G779 Y780	F778-G782 PolarHBondContact O-N 2.91Å; G779-G782 PolarHBondContact O-N 3.01Å; Y780-G782 PolarHBondContact O-N 2.85Å
783	M	80.9	Confident	67.5	Low	15 Å²	15	83 Å²	83	7%	0.074	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-33.4	-179.4	-64.8	170.3	-177.9	0	0	112	F778 S781 K785 K823 I825 Y859 V864	F778-M783 HydrophobicContact CB-CB 4.24Å; F778-M783 HydrophobicContact CB-SD 3.74Å; F778-M783 HydrophobicContact CD1-CE 3.92Å; F778-M783 HydrophobicContact CD1-SD 3.2Å; F778-M783 WeakPolarHBondContact CD1-SD 3.47Å; F778-M783 HydrophobicContact CE1-CE 4.28Å; F778-M783 HydrophobicContact CE1-SD 3.88Å; F778-M783 HydrophobicContact CG-SD 3.62Å; F778-M783 WeakPolarHBondContact O-CB 3.46Å; F778-M783 PolarHBondContact O-N 2.79Å; S781-M783 VanDerWaalsContact C-N 3.31Å; S781-M783 PolarHBondContact O-N 2.78Å; M783-K785 PolarHBondContact O-N 3.06Å; M783-K823 HydrophobicContact CE-CB 3.52Å; M783-K823 HydrophobicContact CG-CB 3.54Å; M783-K823 HydrophobicContact CG-CD 4.08Å; M783-K823 HydrophobicContact CG-CG 3.74Å; M783-K823 HydrophobicContact SD-CB 4.3Å; M783-I825 HydrophobicContact CE-CB 4.45Å; M783-I825 HydrophobicContact CE-CG2 4.32Å; M783-Y859 HydrophobicContact CE-CD2 3.44Å; M783-Y859 VanDerWaalsContact CE-CD2 3.44Å; M783-Y859 HydrophobicContact CE-CE2 3.91Å; M783-Y859 HydrophobicContact CE-CG 4.25Å; M783-V864 HydrophobicContact CB-CG1 4.33Å; M783-V864 HydrophobicContact CB-CG2 4.07Å; M783-V864 HydrophobicContact SD-CG1 4Å
784	N	64.7	Low	64.2	Low	106 Å²	106	88.4 Å²	88.4	57%	0.567	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.1	-177	-62.1	-5.7	0	0	0	113.9	G779 K786	G779-N784 WeakPolarHBondContact CA-ND2 3.45Å; N784-K786 PolarHBondContact O-N 2.85Å
785	K	58.4	Low	61.3	Low	147 Å²	147	94.3 Å²	94.3	64%	0.639	49%	0.487	S	S	*	.			trans	-90.4	95.2	175.9	-71	179.9	-179.8	169.5	0	110.8	M783 Q787	M783-K785 PolarHBondContact O-N 3.06Å; K785-Q787 PolarHBondContact O-N 3.46Å
786	K	47.7	Very low	58.3	Low	205 Å²	205	97.5 Å²	97.5	89%	0.891	52%	0.516	S	S	*	.			trans	-54.5	113.5	163.4	-68.4	-174	178	-176.1	0	109.2	N784 K788	N784-K786 PolarHBondContact O-N 2.85Å; K786-K788 PolarHBondContact O-N 3.25Å
787	Q	42.7	Very low	55.2	Low	134 Å²	134	100.7 Å²	100.7	63%	0.626	54%	0.543	S	S	*	.			trans	-64.3	123.3	174.4	-77	178.8	-39	0	0	109.3	K785 V789 N821	K785-Q787 PolarHBondContact O-N 3.46Å; Q787-V789 PolarHBondContact O-N 2.89Å; Q787-N821 PolarHBondContact OE1-ND2 3.16Å; Q787-N821 VanDerWaalsContact OE1-ND2 3.1Å
788	K	33.9	Very low	52.2	Low	204 Å²	204	106.1 Å²	106.1	89%	0.887	58%	0.58	S	S	*	*			trans	-70.4	97.5	161.4	-94.1	-169.3	170.3	-172.5	0	107.6	K786 S790	K786-K788 PolarHBondContact O-N 3.25Å; K788-S790 PolarHBondContact O-N 2.92Å
789	V	36.7	Very low	49.1	Very low	116 Å²	116	111.9 Å²	111.9	70%	0.703	62%	0.621	S	S	*	*			trans	-61.6	117.8	160.4	-177.6	0	0	0	0	106.7	Q787 T791	Q787-V789 PolarHBondContact O-N 2.89Å; V789-T791 VanDerWaalsContact C-N 3.31Å; V789-T791 HydrophobicContact CG1-CG2 4.23Å; V789-T791 PolarHBondContact O-N 2.75Å; V789-T791 VanDerWaalsContact O-N 3.16Å
790	S	29.7	Very low	46.3	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	65%	0.646	S	S	*	*			trans	-89.3	65.2	-176.9	59.2	0	0	0	0	111.2	K788 K792	K788-S790 PolarHBondContact O-N 2.92Å; S790-K792 PolarHBondContact O-N 2.99Å
791	T	33.2	Very low	43.2	Very low	104 Å²	104	123 Å²	123	64%	0.638	67%	0.67	S	S	*	*			trans	-67.4	110.6	162.8	44.8	0	0	0	0	108.2	V789	V789-T791 VanDerWaalsContact C-N 3.31Å; V789-T791 HydrophobicContact CG1-CG2 4.23Å; V789-T791 PolarHBondContact O-N 2.75Å; V789-T791 VanDerWaalsContact O-N 3.16Å
792	K	32.2	Very low	40	Very low	196 Å²	196	128.1 Å²	128.1	85%	0.852	71%	0.706	S	S	*	*			trans	-108.3	69.8	178	-166.9	-164.9	176.1	-167.4	0	108.9	S790	S790-K792 PolarHBondContact O-N 2.99Å
793	D	32	Very low	37.3	Very low	137 Å²	137	135.6 Å²	135.6	73%	0.733	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-85	123.8	-179.7	-57	-52.5	0	0	0	110.6
794	E	26.1	Very low	34.7	Very low	167 Å²	167	139.5 Å²	139.5	78%	0.78	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-101.9	140.9	158.2	-77.7	-69.5	157.9	0	0	107.7
795	P	33.3	Very low	33.2	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.6	126.7	-165.4	30.7	-34.5	0	0	0	113.2
796	A	28.1	Very low	31.8	Very low	103 Å²	103	142.1 Å²	142.1	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96	135.6	171	0	0	0	0	0	111.8
797	S	29.2	Very low	30.9	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-76.7	148.6	179.3	54.2	0	0	0	0	113.5
798	S	32.2	Very low	30.3	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-48.6	135.6	-178.7	55.3	0	0	0	0	117.5
799	S	27.6	Very low	30.1	Very low	122 Å²	122	140.2 Å²	140.2	85%	0.853	81%	0.809	S	S	*	*			trans	-165.6	172.5	138.2	41.1	0	0	0	0	110.3
800	K	32.6	Very low	30	Very low	191 Å²	191	145 Å²	145	83%	0.83	82%	0.821	S	S	*	*			trans	-123.3	145.7	-161.7	-62.6	175.9	179	175.4	0	113.7
801	N	27.8	Very low	30.4	Very low	162 Å²	162	143 Å²	143	87%	0.866	82%	0.818	S	S	*	*			trans	65.6	157.4	160.2	-60	0.1	0	0	0	115.8
802	S	25.6	Very low	30.7	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	83%	0.832	S	S	*	*			cis	-142.6	166.1	4.5	49.6	0	0	0	0	112.9
803	N	29.3	Very low	31.1	Very low	163 Å²	163	143.2 Å²	143.2	87%	0.872	82%	0.815	S	S	*	*			trans	-11.6	119.3	170.7	-58	-6	0	0	0	119.2
804	A	26.6	Very low	31.2	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	81%	0.805	S	S	*	*			trans	-138	120.4	150.9	0	0	0	0	0	109.8	Q806	A804-Q806 PolarHBondContact O-N 3.41Å
805	S	31.9	Very low	32.5	Very low	125 Å²	125	133.9 Å²	133.9	87%	0.874	78%	0.775	S	S	*	*			trans	-85	107.2	-176.3	-57.9	0	0	0	0	111.4
806	Q	30	Very low	33.7	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	75%	0.753	S	S	*	*			trans	-145.9	124.5	170.3	-109.1	167	33.6	0	0	114.8	A804	A804-Q806 PolarHBondContact O-N 3.41Å
807	S	27.8	Very low	35.4	Very low	104 Å²	104	127 Å²	127	73%	0.727	71%	0.714	S	S	*	*			trans	39	76.4	156.7	52.1	0	0	0	0	119.4	K809	S807-K809 PolarHBondContact O-N 2.77Å
808	Q	30.2	Very low	37	Very low	195 Å²	195	129.6 Å²	129.6	91%	0.911	71%	0.713	S	S	*	*			trans	-58.1	117.7	135.9	-83.1	-171.9	-24.6	0	0	108.3	K810	Q808-K810 PolarHBondContact O-N 3.16Å
809	K	30.1	Very low	38.7	Very low	204 Å²	204	124.3 Å²	124.3	89%	0.887	68%	0.676	S	S	*	*			trans	-69.1	99.4	168.3	-87.6	-173.7	173.5	-179.7	0	108.9	S807 G811	S807-K809 PolarHBondContact O-N 2.77Å; K809-G811 PolarHBondContact O-N 2.99Å
810	K	35.6	Very low	40.8	Very low	218 Å²	218	126.8 Å²	126.8	95%	0.948	67%	0.667	S	S	*	*	S	Bend	trans	-64.3	92.9	175.5	-165.2	-178.3	-171.7	-176.3	0	109.5	Q808	Q808-K810 PolarHBondContact O-N 3.16Å
811	G	38.1	Very low	43.1	Very low	72 Å²	72	119.3 Å²	119.3	74%	0.742	64%	0.636	S	S	*	*			trans	164	62.5	-173.9	0	0	0	0	0	114.4	K809	K809-G811 PolarHBondContact O-N 2.99Å
812	Q	38.2	Very low	46.1	Very low	197 Å²	197	111.8 Å²	111.8	92%	0.921	60%	0.596	S	S	*	*			trans	-135.9	139.8	159.6	-113.2	174.3	-9.6	0	0	109.6
813	Q	40.8	Very low	49.2	Very low	107 Å²	107	108.2 Å²	108.2	50%	0.5	57%	0.567	S	S	.	*			trans	-81.6	139.6	-159.1	-64.7	158.4	-34.2	0	0	111.8	Q815	Q813-Q815 HydrophobicContact CB-CG 3.77Å
814	S	35.2	Very low	52.2	Low	74 Å²	74	100.4 Å²	100.4	52%	0.517	53%	0.525	S	S	.	.			trans	-95.4	84.5	158.4	26.1	0	0	0	0	107.8	R653	R653-S814 PolarHBondContact NH1-OG 3.35Å
815	Q	52.1	Low	55.4	Low	34 Å²	34	95.8 Å²	95.8	16%	0.159	49%	0.487	C	S	.	.			trans	-66.2	161	179.3	-65.2	179.7	-25	0	0	111	Q813 L817	Q813-Q815 HydrophobicContact CB-CG 3.77Å; Q815-L817 CarbonylContact C-O 3.56Å; Q815-L817 WeakPolarHBondContact CB-O 3.44Å
816	F	58.4	Low	58.4	Low	77 Å²	77	89.9 Å²	89.9	34%	0.338	45%	0.445	S	S	.	.	S	Bend	trans	-97.1	119.3	169.3	-171.1	-70.3	0	0	0	108.2	Q593 D596	Q593-F816 HydrophobicContact CB-CD1 3.8Å; Q593-F816 HydrophobicContact CB-CE1 3.55Å; Q593-F816 HydrophobicContact CB-CZ 4.45Å; Q593-F816 HydrophobicContact CG-CD1 3.7Å; Q593-F816 HydrophobicContact CG-CE1 3.22Å; Q593-F816 HydrophobicContact CG-CE2 4.45Å; Q593-F816 HydrophobicContact CG-CZ 3.66Å; D596-F816 WeakPolarHBondContact CB-O 3.49Å
817	L	64.6	Low	61.6	Low	5 Å²	5	81.1 Å²	81.1	3%	0.026	41%	0.405	C	S	.	.	S	Bend	trans	72	111.8	-133.7	-59	161.2	0	0	0	108	L597 H705 Q815 L822 V858 E860	L597-L817 HydrophobicContact CB-CD1 4.22Å; L597-L817 HydrophobicContact CD1-CD1 4.33Å; H705-L817 HydrophobicContact CB-CD2 4.48Å; H705-L817 WeakPolarHBondContact ND1-CD2 3.45Å; Q815-L817 CarbonylContact C-O 3.56Å; Q815-L817 WeakPolarHBondContact CB-O 3.44Å; L817-L822 HydrophobicContact CB-CD2 4.32Å; L817-L822 HydrophobicContact CD1-CD1 3.98Å; L817-L822 HydrophobicContact CD2-CD2 4.16Å; L817-V858 HydrophobicContact CD2-CG1 4.16Å; L817-E860 VanDerWaalsContact CA-OE1 3.28Å; L817-E860 WeakPolarHBondContact CA-OE1 3.27Å; L817-E860 WeakPolarHBondContact CB-OE1 3.42Å; L817-E860 HydrophobicContact CD2-CG 4.28Å
818	Q	62.2	Low	64.8	Low	167 Å²	167	76.2 Å²	76.2	78%	0.78	37%	0.37	S	S	*	.			trans	-83.5	-17.9	-173.4	-57.7	-174.1	20.4	0	0	112.5	E860	Q818-E860 VanDerWaalsContact N-CD 3.34Å; Q818-E860 PolarHBondContact N-OE1 3.03Å; Q818-E860 PolarHBondContact N-OE2 2.77Å; Q818-E860 VanDerWaalsContact N-OE2 3.13Å
819	S	67.9	Low	67.9	Low	6 Å²	6	67 Å²	67	4%	0.042	33%	0.327	C	S	.	.			trans	-111.9	135.9	-169.3	-171.3	0	0	0	0	113.3	N821 L822 E860 D861	S819-N821 PolarHBondContact O-N 3.34Å; S819-N821 WeakPolarHBondContact OG-CB 3.35Å; S819-N821 PolarHBondContact OG-N 3.26Å; S819-L822 VanDerWaalsContact O-CD2 3.3Å; S819-L822 WeakPolarHBondContact O-CD2 3.46Å; S819-L822 WeakPolarHBondContact O-CG 3.15Å; S819-E860 WeakPolarHBondContact CB-OE1 3.14Å; S819-E860 PolarHBondContact N-OE1 2.99Å; S819-D861 VanDerWaalsContact CB-CG 3.48Å; S819-D861 VanDerWaalsContact CB-OD1 3.23Å; S819-D861 WeakPolarHBondContact CB-OD1 3.12Å; S819-D861 PolarHBondContact OG-N 3.35Å; S819-D861 PolarHBondContact OG-OD1 3.21Å
820	R	71.4	Confident	71	Confident	174 Å²	174	57.3 Å²	57.3	66%	0.657	29%	0.285	S	S	*	.	S	Bend	trans	-74.2	-13.6	163.1	-65.2	-172.7	178.1	-150.1	-2.1	113	L822	R820-L822 VanDerWaalsContact C-N 3.27Å; R820-L822 PolarHBondContact O-N 2.94Å
821	N	81.9	Confident	74	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.182	24%	0.24	C	C	.	.			trans	-91.6	40.8	-175.4	-169.8	25.4	0	0	0	112.9	Q787 S819 K823	Q787-N821 PolarHBondContact OE1-ND2 3.16Å; Q787-N821 VanDerWaalsContact OE1-ND2 3.1Å; S819-N821 PolarHBondContact O-N 3.34Å; S819-N821 WeakPolarHBondContact OG-CB 3.35Å; S819-N821 PolarHBondContact OG-N 3.26Å; N821-K823 PolarHBondContact O-NZ 3.18Å; N821-K823 PolarHBondContact OD1-NZ 3.06Å
822	L	89.3	Confident	76.7	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	22%	0.219	C	C	.	.			trans	-60.7	144.7	-177.4	-59.4	-178.9	0	0	0	112.9	I738 L817 S819 R820 V858 Y859 E860	I738-L822 HydrophobicContact CD1-CB 3.59Å; I738-L822 HydrophobicContact CD1-CD1 4.06Å; I738-L822 HydrophobicContact CD1-CG 4.41Å; L817-L822 HydrophobicContact CB-CD2 4.32Å; L817-L822 HydrophobicContact CD1-CD1 3.98Å; L817-L822 HydrophobicContact CD2-CD2 4.16Å; S819-L822 VanDerWaalsContact O-CD2 3.3Å; S819-L822 WeakPolarHBondContact O-CD2 3.46Å; S819-L822 WeakPolarHBondContact O-CG 3.15Å; R820-L822 VanDerWaalsContact C-N 3.27Å; R820-L822 PolarHBondContact O-N 2.94Å; L822-V858 HydrophobicContact CB-CG1 4.31Å; L822-V858 HydrophobicContact CD1-CG1 4.39Å; L822-V858 HydrophobicContact CD2-CG1 3.96Å; L822-V858 HydrophobicContact CG-CG1 4.45Å; L822-Y859 CarbonylContact C-O 3.14Å; L822-Y859 WeakPolarHBondContact CA-O 3.43Å; L822-E860 HydrophobicContact CD2-CG 3.99Å
823	K	91.1	Very high	79.3	Confident	33 Å²	33	36.8 Å²	36.8	14%	0.143	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137	174.9	-60.3	-70.5	158.3	-63.9	0	109.6	S781 M783 N821 V858 Y859	S781-K823 WeakPolarHBondContact O-CD 3.32Å; M783-K823 HydrophobicContact CE-CB 3.52Å; M783-K823 HydrophobicContact CG-CB 3.54Å; M783-K823 HydrophobicContact CG-CD 4.08Å; M783-K823 HydrophobicContact CG-CG 3.74Å; M783-K823 HydrophobicContact SD-CB 4.3Å; N821-K823 PolarHBondContact O-NZ 3.18Å; N821-K823 PolarHBondContact OD1-NZ 3.06Å; K823-V858 CarbonylContact O-C 3.45Å; K823-V858 WeakPolarHBondContact O-CA 3.44Å; K823-Y859 PolarHBondContact N-O 2.6Å; K823-Y859 PolarHBondContact O-N 3.13Å
824	C	92.8	Very high	81.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.9	-164.7	-71.1	0	0	0	0	111.4	W741 S781 F856 F857	W741-C824 HydrophobicContact CG-CB 4.37Å; S781-C824 VanDerWaalsContact CB-O 3.23Å; S781-C824 WeakPolarHBondContact CB-O 3.49Å; S781-C824 PolarHBondContact OG-O 3.31Å; C824-F856 HydrophobicContact CB-CE1 4.4Å; C824-F856 HydrophobicContact CB-CE2 3.98Å; C824-F856 HydrophobicContact CB-CZ 3.5Å; C824-F856 VanDerWaalsContact CB-CZ 3.5Å; C824-F857 WeakPolarHBondContact CA-O 3.48Å
825	I	94.5	Very high	84.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.6	176.9	-173.4	169.2	0	0	0	109.3	M701 F733 F778 M783 F856 F857 Y859	M701-I825 HydrophobicContact CE-CG2 4.11Å; F733-I825 HydrophobicContact CB-CD1 4.06Å; F733-I825 HydrophobicContact CB-CG1 4.42Å; F733-I825 HydrophobicContact CD1-CD1 4.02Å; F733-I825 HydrophobicContact CD1-CG1 4.32Å; F733-I825 HydrophobicContact CG-CD1 4.23Å; F778-I825 HydrophobicContact CD1-CD1 3.52Å; F778-I825 HydrophobicContact CE1-CD1 3.66Å; F778-I825 HydrophobicContact CE1-CG2 4.18Å; M783-I825 HydrophobicContact CE-CB 4.45Å; M783-I825 HydrophobicContact CE-CG2 4.32Å; I825-F856 WeakPolarHBondContact O-CD2 3.28Å; I825-F857 HydrophobicContact CG2-CB 3.86Å; I825-F857 HydrophobicContact CG2-CD2 4.11Å; I825-F857 HydrophobicContact CG2-CG 4.44Å; I825-F857 PolarHBondContact N-O 3.11Å; I825-F857 VanDerWaalsContact N-O 3.1Å; I825-F857 PolarHBondContact O-N 3.27Å; I825-Y859 HydrophobicContact CG2-CE2 3.95Å
826	A	95.5	Very high	86.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.9	170.6	0	0	0	0	0	111.1	F733 H734 W741 T853 F855 F856	F733-A826 CarbonylContact C-O 3.58Å; F733-A826 WeakPolarHBondContact CA-O 3.29Å; H734-A826 PolarHBondContact N-O 3.43Å; H734-A826 PolarHBondContact O-N 2.95Å; W741-A826 HydrophobicContact CH2-CB 3.57Å; W741-A826 HydrophobicContact CZ3-CB 4.12Å; A826-T853 HydrophobicContact CB-CG2 4.37Å; A826-F855 CarbonylContact C-O 3.56Å; A826-F855 VanDerWaalsContact CA-O 3.27Å; A826-F855 WeakPolarHBondContact CA-O 3.47Å; A826-F856 HydrophobicContact CB-CD2 4.31Å
827	L	95.8	Very high	88.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.6	160.3	177.9	61.1	0	0	0	107.3	L698 F731 F733 R854 F855 F857 T871 I880	L698-L827 HydrophobicContact CD1-CD2 4.35Å; F731-L827 HydrophobicContact CB-CD1 3.92Å; F733-L827 HydrophobicContact CD1-CB 4.11Å; F733-L827 HydrophobicContact CD1-CD1 3.92Å; F733-L827 HydrophobicContact CE1-CB 4.15Å; F733-L827 HydrophobicContact CE1-CD1 3.92Å; F733-L827 HydrophobicContact CE1-CG 4.43Å; F733-L827 HydrophobicContact CG-CD1 4.31Å; F733-L827 HydrophobicContact CZ-CD1 4.33Å; L827-R854 PolarHBondContact O-N 2.97Å; L827-F855 HydrophobicContact CB-CB 4.26Å; L827-F855 HydrophobicContact CB-CD2 4.47Å; L827-F855 HydrophobicContact CD2-CD2 3.98Å; L827-F855 HydrophobicContact CG-CD2 4.44Å; L827-F855 PolarHBondContact N-O 3.37Å; L827-F855 PolarHBondContact O-N 2.88Å; L827-F855 VanDerWaalsContact O-N 3.11Å; L827-F857 HydrophobicContact CB-CE2 3.71Å; L827-F857 HydrophobicContact CB-CZ 4.33Å; L827-T871 HydrophobicContact CD1-CG2 3.71Å; L827-I880 HydrophobicContact CD2-CD1 3.77Å; L827-I880 HydrophobicContact CD2-CG1 3.88Å; L827-I880 HydrophobicContact CD2-CG2 4.2Å
828	C	95.9	Very high	89.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.8	-176.5	-60.7	0	0	0	0	110.2	F731 A732 L770 V830 V851 C852	F731-C828 CarbonylContact C-O 3.49Å; F731-C828 VanDerWaalsContact CA-O 3.27Å; F731-C828 WeakPolarHBondContact CA-O 3.46Å; A732-C828 PolarHBondContact N-O 2.89Å; A732-C828 PolarHBondContact O-N 2.82Å; L770-C828 HydrophobicContact CD2-CB 3.58Å; C828-V830 HydrophobicContact CB-CG2 4.48Å; C828-V851 HydrophobicContact CB-CG1 3.94Å; C828-C852 CarbonylContact C-O 3.59Å; C828-C852 WeakPolarHBondContact CA-O 3.32Å; C828-C852 WeakPolarHBondContact CB-O 3.03Å
829	E	94.8	Very high	91.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.7	162.4	-158.7	-175.6	169.9	0	0	108.7	F720 K724 S729 T730 F731 C852 R854	F720-E829 HydrophobicContact CE1-CB 4.24Å; F720-E829 HydrophobicContact CE1-CG 4.03Å; F720-E829 WeakPolarHBondContact CE2-O 3.39Å; F720-E829 HydrophobicContact CZ-CB 3.72Å; F720-E829 HydrophobicContact CZ-CG 3.69Å; K724-E829 WeakPolarHBondContact CD-OE1 3.43Å; K724-E829 WeakPolarHBondContact CE-OE1 3.45Å; K724-E829 IonicContact NZ-OE1 3.57Å; K724-E829 PolarHBondContact NZ-OE1 3.18Å; K724-E829 IonicContact NZ-OE2 3.28Å; S729-E829 WeakPolarHBondContact CB-OE1 3.5Å; S729-E829 PolarHBondContact OG-OE1 2.89Å; T730-E829 WeakPolarHBondContact O-CA 3.43Å; F731-E829 HydrophobicContact CD1-CB 3.98Å; F731-E829 HydrophobicContact CD1-CG 4Å; F731-E829 HydrophobicContact CE1-CB 3.78Å; F731-E829 HydrophobicContact CE1-CG 3.57Å; F731-E829 HydrophobicContact CZ-CG 4.11Å; E829-C852 PolarHBondContact N-O 3.35Å; E829-C852 PolarHBondContact O-N 3.38Å; E829-R854 HydrophobicContact CB-CG 3.9Å; E829-R854 IonicContact OE2-CZ 3.28Å; E829-R854 VanDerWaalsContact OE2-CZ 3.27Å; E829-R854 IonicContact OE2-NE 2.69Å; E829-R854 PolarHBondContact OE2-NE 3.05Å; E829-R854 IonicContact OE2-NH2 2.96Å; E829-R854 PolarHBondContact OE2-NH2 2.93Å
830	V	96.1	Very high	92.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.5	-172.1	-176.5	0	0	0	0	109.3	S729 T730 A732 L770 C828 L836 V845 H850 V851	S729-V830 CarbonylContact C-O 3.22Å; S729-V830 VanDerWaalsContact CA-O 3.24Å; S729-V830 WeakPolarHBondContact CA-O 3.43Å; S729-V830 WeakPolarHBondContact CB-O 3.13Å; T730-V830 PolarHBondContact N-O 2.86Å; T730-V830 PolarHBondContact O-N 3.36Å; A732-V830 HydrophobicContact CB-CG2 4.25Å; L770-V830 HydrophobicContact CD1-CG2 4.43Å; L770-V830 HydrophobicContact CD2-CG2 3.94Å; C828-V830 HydrophobicContact CB-CG2 4.48Å; V830-L836 HydrophobicContact CG1-CD1 3.82Å; V830-L836 HydrophobicContact CG1-CD2 4.17Å; V830-V845 HydrophobicContact CG1-CG2 3.85Å; V830-H850 WeakPolarHBondContact CA-O 3.3Å; V830-V851 HydrophobicContact CG2-CG1 4.5Å
831	I	96.8	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.4	177.4	-56	-56.2	0	0	0	110.2	F720 A723 K724 F727 S833 H850	F720-I831 HydrophobicContact CD1-CD1 3.99Å; F720-I831 HydrophobicContact CD2-CD1 3.76Å; F720-I831 HydrophobicContact CD2-CG1 3.79Å; F720-I831 HydrophobicContact CE1-CD1 3.72Å; F720-I831 HydrophobicContact CE2-CD1 3.49Å; F720-I831 VanDerWaalsContact CE2-CD1 3.49Å; F720-I831 HydrophobicContact CE2-CG1 3.6Å; F720-I831 HydrophobicContact CG-CD1 3.99Å; F720-I831 HydrophobicContact CG-CG1 4.42Å; F720-I831 HydrophobicContact CZ-CD1 3.45Å; F720-I831 VanDerWaalsContact CZ-CD1 3.45Å; F720-I831 HydrophobicContact CZ-CG1 4.07Å; F720-I831 WeakPolarHBondContact O-CD1 3.44Å; A723-I831 HydrophobicContact CB-CD1 4.21Å; A723-I831 HydrophobicContact CB-CG1 4.03Å; A723-I831 HydrophobicContact CB-CG2 4.04Å; K724-I831 HydrophobicContact CB-CD1 3.76Å; F727-I831 HydrophobicContact CB-CG2 3.8Å; F727-I831 HydrophobicContact CD2-CG2 3.98Å; F727-I831 HydrophobicContact CG-CG2 4.34Å; I831-S833 PolarHBondContact O-N 3.12Å; I831-H850 HydrophobicContact CB-CB 3.9Å; I831-H850 HydrophobicContact CG1-CB 4.04Å; I831-H850 PolarHBondContact N-O 3.41Å
832	T	95.1	Very high	94.3	Very high	51 Å²	51	35.4 Å²	35.4	31%	0.313	19%	0.194	S	C	.	.			trans	-84.4	42.6	178.4	36.7	0	0	0	0	113.1	F727 G728 S729 T730 L836	F727-T832 PolarHBondContact O-OG1 2.89Å; G728-T832 PolarHBondContact O-N 3.17Å; G728-T832 VanDerWaalsContact O-N 3.09Å; G728-T832 PolarHBondContact O-OG1 3.48Å; S729-T832 PolarHBondContact N-OG1 3.41Å; T730-T832 HydrophobicContact CG2-CG2 3.8Å; T832-L836 HydrophobicContact CG2-CD2 4.14Å
833	S	93.9	Very high	94.6	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.035	20%	0.195	C	C	.	.			trans	-65.8	157.5	174.9	55.2	0	0	0	0	112.5	I831 D835 L836 H850	I831-S833 PolarHBondContact O-N 3.12Å; S833-D835 PolarHBondContact O-N 3.35Å; S833-D835 VanDerWaalsContact O-N 3.11Å; S833-L836 VanDerWaalsContact O-CB 3.25Å; S833-L836 WeakPolarHBondContact O-CB 3.25Å; S833-L836 PolarHBondContact O-N 3.39Å; S833-H850 PolarHBondContact OG-CE1 3.48Å; S833-H850 PolarHBondContact OG-ND1 3.38Å
834	P	92.6	Very high	94.9	Very high	112 Å²	112	34.2 Å²	34.2	73%	0.727	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.9	172.2	-27.4	36.3	0	0	0	114.6	L836	P834-L836 PolarHBondContact O-N 3.18Å
835	D	92.8	Very high	95.1	Very high	86 Å²	86	34.2 Å²	34.2	46%	0.46	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-1.3	179.1	-43.8	-63.1	0	0	0	114.2	S833 H837 P846	S833-D835 PolarHBondContact O-N 3.35Å; S833-D835 VanDerWaalsContact O-N 3.11Å; D835-H837 PolarHBondContact O-N 2.93Å; D835-H837 VanDerWaalsContact O-N 3.13Å; D835-P846 WeakPolarHBondContact O-CD 3.44Å
836	L	95.7	Very high	95.1	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.079	21%	0.205	C	C	.	.			trans	-79.5	90.4	177.4	178.6	58.5	0	0	0	110.1	V830 T832 S833 P834 K838 W843 V845	V830-L836 HydrophobicContact CG1-CD1 3.82Å; V830-L836 HydrophobicContact CG1-CD2 4.17Å; T832-L836 HydrophobicContact CG2-CD2 4.14Å; S833-L836 VanDerWaalsContact O-CB 3.25Å; S833-L836 WeakPolarHBondContact O-CB 3.25Å; S833-L836 PolarHBondContact O-N 3.39Å; P834-L836 PolarHBondContact O-N 3.18Å; L836-K838 HydrophobicContact CG-CG 4.16Å; L836-K838 PolarHBondContact O-N 3.07Å; L836-W843 HydrophobicContact CD1-CB 4.3Å; L836-W843 HydrophobicContact CD1-CE3 4.4Å; L836-W843 HydrophobicContact CD2-CE3 4.44Å; L836-V845 HydrophobicContact CD1-CG2 3.75Å
837	H	95.4	Very high	95	Very high	82 Å²	82	39.5 Å²	39.5	38%	0.38	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.3	179.6	-55.3	152.8	0	0	0	110.9	D835 W843 V844	D835-H837 PolarHBondContact O-N 2.93Å; D835-H837 VanDerWaalsContact O-N 3.13Å; H837-W843 CarbonylContact O-C 3.51Å; H837-W843 WeakPolarHBondContact O-CA 3.38Å; H837-V844 HydrophobicContact CB-CB 4.35Å; H837-V844 PolarHBondContact N-O 2.99Å; H837-V844 VanDerWaalsContact N-O 3.13Å; H837-V844 PolarHBondContact O-N 3.22Å
838	K	95.3	Very high	94.7	Very high	102 Å²	102	41.8 Å²	41.8	44%	0.443	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.1	179	-60.3	-171.4	-179.8	-175.8	0	111.3	L836 W843	L836-K838 HydrophobicContact CG-CG 4.16Å; L836-K838 PolarHBondContact O-N 3.07Å; K838-W843 HydrophobicContact CB-CG 4.48Å; K838-W843 HydrophobicContact CD-CD2 4.27Å; K838-W843 HydrophobicContact CD-CZ2 4.15Å; K838-W843 HydrophobicContact CG-CD2 4.15Å; K838-W843 HydrophobicContact CG-CG 3.96Å
839	H	93.6	Very high	94.3	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.389	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	70.3	176.6	-63.4	-88.5	0	0	0	109.1	Y764 E841 I842	Y764-H839 HydrophobicContact CD1-CB 3.89Å; Y764-H839 AromaticContact CD1-CD2 3.98Å; Y764-H839 AromaticContact CD1-CG 3.51Å; Y764-H839 AromaticContact CD1-ND1 3.58Å; Y764-H839 HydrophobicContact CD2-CB 4.06Å; Y764-H839 HydrophobicContact CE1-CB 3.96Å; Y764-H839 HydrophobicContact CE2-CB 4.12Å; Y764-H839 HydrophobicContact CG-CB 3.94Å; Y764-H839 AromaticContact CG-CD2 3.78Å; Y764-H839 AromaticContact CG-CG 3.67Å; H839-E841 PolarHBondContact O-N 3.01Å; H839-I842 CarbonylContact C-O 3.44Å; H839-I842 WeakPolarHBondContact CA-O 3.49Å; H839-I842 PolarHBondContact N-O 3.14Å; H839-I842 PolarHBondContact O-N 3.23Å
840	G	92.1	Very high	94.3	Very high	50 Å²	50	44.6 Å²	44.6	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-123.6	-166.6	0	0	0	0	0	110.6	I842 W843	G840-I842 PolarHBondContact O-N 3.39Å; G840-W843 VanDerWaalsContact O-CD1 3.27Å; G840-W843 PolarHBondContact O-NE1 3.06Å
841	E	94.3	Very high	94.1	Very high	81 Å²	81	44.7 Å²	44.7	38%	0.379	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.9	-179.1	-46.8	-48.6	128.9	0	0	113.9	S771 P772 M773 I776 H839	S771-E841 WeakPolarHBondContact CA-O 3.45Å; S771-E841 VanDerWaalsContact CB-O 3.25Å; S771-E841 WeakPolarHBondContact CB-O 3.45Å; S771-E841 PolarHBondContact OG-O 2.82Å; P772-E841 WeakPolarHBondContact CD-O 3.25Å; P772-E841 VanDerWaalsContact CG-OE2 3.29Å; P772-E841 WeakPolarHBondContact CG-OE2 3.49Å; M773-E841 HydrophobicContact CG-CB 4.22Å; M773-E841 HydrophobicContact CG-CG 4.16Å; M773-E841 HydrophobicContact SD-CB 4.28Å; M773-E841 HydrophobicContact SD-CG 3.84Å; I776-E841 HydrophobicContact CD1-CB 3.61Å; H839-E841 PolarHBondContact O-N 3.01Å
842	I	96.5	Very high	93.8	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.195	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.5	172.4	-62.1	172.4	0	0	0	108.7	Y764 Y769 I776 H839 G840	Y764-I842 HydrophobicContact CD2-CB 4.3Å; Y764-I842 HydrophobicContact CD2-CG2 3.75Å; Y764-I842 HydrophobicContact CE2-CB 4.12Å; Y764-I842 HydrophobicContact CE2-CD1 4.02Å; Y764-I842 HydrophobicContact CE2-CG2 3.98Å; Y769-I842 HydrophobicContact CD1-CG2 3.97Å; Y769-I842 HydrophobicContact CE1-CG2 4.38Å; I776-I842 HydrophobicContact CD1-CG1 4.35Å; I776-I842 HydrophobicContact CG2-CG1 4.38Å; H839-I842 CarbonylContact C-O 3.44Å; H839-I842 WeakPolarHBondContact CA-O 3.49Å; H839-I842 PolarHBondContact N-O 3.14Å; H839-I842 PolarHBondContact O-N 3.23Å; G840-I842 PolarHBondContact O-N 3.39Å
843	W	97.1	Very high	93.6	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.038	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142	-178.7	-57.8	-3.9	0	0	0	110.3	T730 A732 Y769 L770 P772 L836 H837 K838 G840 Q872	T730-W843 HydrophobicContact CG2-CH2 3.75Å; T730-W843 HydrophobicContact CG2-CZ3 3.58Å; A732-W843 HydrophobicContact CB-CE3 3.99Å; A732-W843 HydrophobicContact CB-CZ3 3.94Å; Y769-W843 WeakPolarHBondContact CA-O 3.32Å; L770-W843 PolarHBondContact N-O 2.88Å; L770-W843 PolarHBondContact O-N 3.32Å; P772-W843 HydrophobicContact CB-CH2 4.26Å; P772-W843 HydrophobicContact CB-CZ2 4.04Å; P772-W843 HydrophobicContact CG-CZ2 3.83Å; L836-W843 HydrophobicContact CD1-CB 4.3Å; L836-W843 HydrophobicContact CD1-CE3 4.4Å; L836-W843 HydrophobicContact CD2-CE3 4.44Å; H837-W843 CarbonylContact O-C 3.51Å; H837-W843 WeakPolarHBondContact O-CA 3.38Å; K838-W843 HydrophobicContact CB-CG 4.48Å; K838-W843 HydrophobicContact CD-CD2 4.27Å; K838-W843 HydrophobicContact CD-CZ2 4.15Å; K838-W843 HydrophobicContact CG-CD2 4.15Å; K838-W843 HydrophobicContact CG-CG 3.96Å; G840-W843 VanDerWaalsContact O-CD1 3.27Å; G840-W843 PolarHBondContact O-NE1 3.06Å; W843-Q872 HydrophobicContact CH2-CG 4.29Å; W843-Q872 HydrophobicContact CZ2-CG 4.3Å
844	V	97.4	Very high	93.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.4	177.5	-176.3	0	0	0	0	109.1	I768 Y769 H837	I768-V844 WeakPolarHBondContact O-CA 3.49Å; Y769-V844 HydrophobicContact CD1-CG2 3.88Å; Y769-V844 HydrophobicContact CD2-CG1 4.25Å; Y769-V844 HydrophobicContact CD2-CG2 4.06Å; Y769-V844 HydrophobicContact CE1-CG2 3.57Å; Y769-V844 HydrophobicContact CE2-CB 4.44Å; Y769-V844 HydrophobicContact CE2-CG1 3.84Å; Y769-V844 HydrophobicContact CE2-CG2 3.73Å; Y769-V844 HydrophobicContact CG-CG2 4.12Å; Y769-V844 VanDerWaalsContact CZ-CG2 3.46Å; H837-V844 HydrophobicContact CB-CB 4.35Å; H837-V844 PolarHBondContact N-O 2.99Å; H837-V844 VanDerWaalsContact N-O 3.13Å; H837-V844 PolarHBondContact O-N 3.22Å
845	V	96.8	Very high	93.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.8	178.8	-159.9	0	0	0	0	109.1	G767 I768 L770 V830 L836 N847 H850 V851	G767-V845 CarbonylContact C-O 3.5Å; G767-V845 WeakPolarHBondContact CA-O 3.37Å; I768-V845 PolarHBondContact N-O 3.42Å; I768-V845 PolarHBondContact O-N 3.04Å; L770-V845 HydrophobicContact CD1-CG2 3.59Å; V830-V845 HydrophobicContact CG1-CG2 3.85Å; L836-V845 HydrophobicContact CD1-CG2 3.75Å; V845-N847 WeakPolarHBondContact CG1-O 3Å; V845-H850 HydrophobicContact CG1-CB 3.74Å; V845-V851 HydrophobicContact CB-CG2 3.69Å; V845-V851 HydrophobicContact CG1-CG2 3.68Å; V845-V851 HydrophobicContact CG2-CG2 3.72Å
846	P	94.2	Very high	93.4	Very high	51 Å²	51	33.3 Å²	33.3	33%	0.331	18%	0.179	S	C	.	.	S	Bend	trans	-71.2	-34.6	-179.9	-20.9	34	0	0	0	113.2	V751 D835	V751-P846 WeakPolarHBondContact CG2-O 3.17Å; D835-P846 WeakPolarHBondContact O-CD 3.44Å
847	N	92.3	Very high	93.3	Very high	60 Å²	60	32.6 Å²	32.6	32%	0.321	18%	0.175	S	C	.	.			trans	-88	123.6	178.5	-172.8	3.3	0	0	0	111.2	V845 D849 H850	V845-N847 WeakPolarHBondContact CG1-O 3Å; N847-D849 PolarHBondContact O-N 3.44Å; N847-D849 PolarHBondContact OD1-N 2.91Å; N847-H850 HydrophobicContact CB-CB 4.27Å; N847-H850 PolarHBondContact ND2-CD2 3.09Å; N847-H850 PolarHBondContact ND2-NE2 2.82Å; N847-H850 PolarHBondContact O-N 3.18Å
848	T	89.4	Confident	93.2	Very high	48 Å²	48	28.7 Å²	28.7	29%	0.294	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-60.4	-31.6	173.8	47.4	0	0	0	0	112.7	K716 V751 I768 H850 V851	K716-T848 WeakPolarHBondContact CE-O 3.26Å; K716-T848 PolarHBondContact NZ-O 2.9Å; V751-T848 HydrophobicContact CG2-CG2 4.11Å; I768-T848 HydrophobicContact CD1-CG2 4.38Å; T848-H850 PolarHBondContact O-N 3.03Å; T848-V851 PolarHBondContact O-N 3.43Å
849	D	89.1	Confident	93	Very high	41 Å²	41	23.9 Å²	23.9	22%	0.219	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-80.4	-6.3	-175	-72.1	22.8	0	0	0	112.7	K716 N719 F720 N847 V851	K716-D849 VanDerWaalsContact CE-OD1 3.32Å; K716-D849 WeakPolarHBondContact CE-OD1 3.44Å; N719-D849 PolarHBondContact ND2-OD2 3.15Å; F720-D849 WeakPolarHBondContact CD2-O 3.38Å; N847-D849 PolarHBondContact O-N 3.44Å; N847-D849 PolarHBondContact OD1-N 2.91Å; D849-V851 VanDerWaalsContact C-N 3.34Å
850	H	93.8	Very high	92.6	Very high	20 Å²	20	20.8 Å²	20.8	9%	0.093	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-92.7	8.7	171.7	-69	-171.1	0	0	0	112.7	V830 I831 S833 V845 N847 T848	V830-H850 WeakPolarHBondContact CA-O 3.3Å; I831-H850 HydrophobicContact CB-CB 3.9Å; I831-H850 HydrophobicContact CG1-CB 4.04Å; I831-H850 PolarHBondContact N-O 3.41Å; S833-H850 PolarHBondContact OG-CE1 3.48Å; S833-H850 PolarHBondContact OG-ND1 3.38Å; V845-H850 HydrophobicContact CG1-CB 3.74Å; N847-H850 HydrophobicContact CB-CB 4.27Å; N847-H850 PolarHBondContact ND2-CD2 3.09Å; N847-H850 PolarHBondContact ND2-NE2 2.82Å; N847-H850 PolarHBondContact O-N 3.18Å; T848-H850 PolarHBondContact O-N 3.03Å
851	V	92.6	Very high	91.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.2	176.6	-170.3	0	0	0	0	111.7	K716 L749 I768 L770 C828 V830 V845 T848 D849	K716-V851 PolarHBondContact NZ-O 3.21Å; L749-V851 HydrophobicContact CD1-CG1 4.17Å; I768-V851 HydrophobicContact CD1-CB 4.29Å; I768-V851 HydrophobicContact CD1-CG2 4.14Å; L770-V851 HydrophobicContact CD1-CG2 4.31Å; L770-V851 HydrophobicContact CD2-CG1 4.32Å; C828-V851 HydrophobicContact CB-CG1 3.94Å; V830-V851 HydrophobicContact CG2-CG1 4.5Å; V845-V851 HydrophobicContact CB-CG2 3.69Å; V845-V851 HydrophobicContact CG1-CG2 3.68Å; V845-V851 HydrophobicContact CG2-CG2 3.72Å; T848-V851 PolarHBondContact O-N 3.43Å; D849-V851 VanDerWaalsContact C-N 3.34Å
852	C	89.3	Confident	90.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.3	166.6	-74.4	0	0	0	0	110.3	S712 E717 F720 C828 E829	S712-C852 PolarHBondContact OG-SG 3.17Å; E717-C852 PolarHBondContact OE2-SG 2.65Å; F720-C852 HydrophobicContact CD2-CB 4.12Å; F720-C852 VanDerWaalsContact CD2-SG 3.53Å; F720-C852 HydrophobicContact CE2-CB 4.11Å; F720-C852 HydrophobicContact CG-CB 4.39Å; F720-C852 VanDerWaalsContact CG-SG 3.57Å; F720-C852 HydrophobicContact CZ-CB 4.39Å; C828-C852 CarbonylContact C-O 3.59Å; C828-C852 WeakPolarHBondContact CA-O 3.32Å; C828-C852 WeakPolarHBondContact CB-O 3.03Å; E829-C852 PolarHBondContact N-O 3.35Å; E829-C852 PolarHBondContact O-N 3.38Å
853	T	90.9	Very high	89.5	Confident	2 Å²	2	25 Å²	25	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	147.4	164	54.5	0	0	0	0	108.8	L709 S711 L749 A826	L709-T853 HydrophobicContact CD2-CG2 4.08Å; L709-T853 CarbonylContact O-C 3.57Å; L709-T853 VanDerWaalsContact O-C 3.22Å; L709-T853 VanDerWaalsContact O-O 3.09Å; L709-T853 PolarHBondContact O-OG1 2.89Å; S711-T853 VanDerWaalsContact CB-OG1 3.29Å; S711-T853 WeakPolarHBondContact CB-OG1 3.41Å; S711-T853 PolarHBondContact N-OG1 3.13Å; S711-T853 PolarHBondContact OG-OG1 3.37Å; L749-T853 HydrophobicContact CD1-CG2 4.06Å; L749-T853 HydrophobicContact CG-CG2 4.38Å; A826-T853 HydrophobicContact CB-CG2 4.37Å
854	R	89.4	Confident	88.2	Confident	11 Å²	11	27.3 Å²	27.3	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	-40.6	172.8	-66.1	-63.9	-172.6	-146.2	-12.4	112.1	E234 L708 L709 E717 L827 E829 I884	E234-R854 IonicContact OE1-NH1 3.75Å; E234-R854 PolarHBondContact OE1-NH1 3.2Å; L708-R854 WeakPolarHBondContact CD1-O 3.31Å; L709-R854 PolarHBondContact N-O 3.36Å; L709-R854 CarbonylContact O-C 3.58Å; L709-R854 WeakPolarHBondContact O-CA 3.2Å; L709-R854 PolarHBondContact O-N 2.92Å; E717-R854 VanDerWaalsContact CD-NH1 3.25Å; E717-R854 IonicContact OE1-CZ 2.81Å; E717-R854 IonicContact OE1-NH1 2.72Å; E717-R854 PolarHBondContact OE1-NH1 3.3Å; E717-R854 IonicContact OE1-NH2 3.4Å; E717-R854 PolarHBondContact OE1-NH2 3.23Å; E717-R854 IonicContact OE2-NH1 2.63Å; E717-R854 PolarHBondContact OE2-NH1 3.25Å; E717-R854 IonicContact OE2-NH2 3.76Å; L827-R854 PolarHBondContact O-N 2.97Å; E829-R854 HydrophobicContact CB-CG 3.9Å; E829-R854 IonicContact OE2-CZ 3.28Å; E829-R854 VanDerWaalsContact OE2-CZ 3.27Å; E829-R854 IonicContact OE2-NE 2.69Å; E829-R854 PolarHBondContact OE2-NE 3.05Å; E829-R854 IonicContact OE2-NH2 2.96Å; E829-R854 PolarHBondContact OE2-NH2 2.93Å; R854-I884 HydrophobicContact CB-CD1 4.47Å; R854-I884 HydrophobicContact CG-CD1 4.32Å
855	F	92.8	Very high	87	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.6	177.8	-55.9	-81	0	0	0	112.2	L692 L698 F707 L708 A826 L827 F857 I880 V883 I884	L692-F855 HydrophobicContact CD1-CD1 3.89Å; L692-F855 HydrophobicContact CD1-CE1 3.98Å; L692-F855 HydrophobicContact CD2-CE1 4.29Å; L698-F855 HydrophobicContact CD1-CD1 4.35Å; L698-F855 HydrophobicContact CD1-CD2 3.99Å; L698-F855 HydrophobicContact CD1-CE1 4.44Å; L698-F855 HydrophobicContact CD1-CE2 4.09Å; L698-F855 HydrophobicContact CD1-CG 4.1Å; L698-F855 HydrophobicContact CD1-CZ 4.32Å; F707-F855 CarbonylContact O-C 3.56Å; F707-F855 VanDerWaalsContact O-CA 3.29Å; F707-F855 WeakPolarHBondContact O-CA 3.32Å; L708-F855 HydrophobicContact CD1-CD1 4.24Å; L708-F855 HydrophobicContact CD1-CE1 3.91Å; A826-F855 CarbonylContact C-O 3.56Å; A826-F855 VanDerWaalsContact CA-O 3.27Å; A826-F855 WeakPolarHBondContact CA-O 3.47Å; L827-F855 HydrophobicContact CB-CB 4.26Å; L827-F855 HydrophobicContact CB-CD2 4.47Å; L827-F855 HydrophobicContact CD2-CD2 3.98Å; L827-F855 HydrophobicContact CG-CD2 4.44Å; L827-F855 PolarHBondContact N-O 3.37Å; L827-F855 PolarHBondContact O-N 2.88Å; L827-F855 VanDerWaalsContact O-N 3.11Å; F855-F857 HydrophobicContact CB-CE1 4.2Å; F855-F857 HydrophobicContact CB-CE2 3.58Å; F855-F857 HydrophobicContact CB-CZ 3.35Å; F855-F857 HydrophobicContact CG-CZ 4.1Å; F855-I880 HydrophobicContact CE2-CG2 4.16Å; F855-V883 HydrophobicContact CE1-CG1 3.62Å; F855-V883 HydrophobicContact CZ-CB 4.1Å; F855-V883 HydrophobicContact CZ-CG1 3.62Å; F855-I884 HydrophobicContact CE2-CD1 3.93Å; F855-I884 HydrophobicContact CE2-CG1 3.75Å; F855-I884 HydrophobicContact CZ-CD1 4.39Å; F855-I884 HydrophobicContact CZ-CG1 3.69Å
856	F	94.2	Very high	86.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.5	176.8	-169	-109.8	0	0	0	110.4	L597 M601 I689 F707 L709 W741 C824 I825 A826 V858	L597-F856 HydrophobicContact CD2-CD1 4.24Å; L597-F856 HydrophobicContact CD2-CE1 4Å; M601-F856 HydrophobicContact CE-CE1 3.44Å; M601-F856 VanDerWaalsContact CE-CE1 3.44Å; M601-F856 HydrophobicContact CE-CE2 4.49Å; M601-F856 HydrophobicContact CE-CZ 3.34Å; I689-F856 HydrophobicContact CD1-CD1 4.24Å; F707-F856 HydrophobicContact CB-CB 4.4Å; F707-F856 HydrophobicContact CD2-CD1 4.27Å; F707-F856 PolarHBondContact N-O 2.82Å; F707-F856 PolarHBondContact O-N 3.18Å; L709-F856 HydrophobicContact CB-CB 3.86Å; L709-F856 HydrophobicContact CD2-CB 3.85Å; L709-F856 HydrophobicContact CD2-CD2 4.04Å; L709-F856 HydrophobicContact CD2-CG 4.17Å; L709-F856 HydrophobicContact CG-CB 4.43Å; W741-F856 AromaticContact CD2-CE2 3.56Å; W741-F856 HydrophobicContact CD2-CE2 3.56Å; W741-F856 AromaticContact CD2-CZ 3.96Å; W741-F856 HydrophobicContact CD2-CZ 3.96Å; W741-F856 AromaticContact CE2-CE2 3.78Å; W741-F856 HydrophobicContact CE3-CD2 4.19Å; W741-F856 AromaticContact CE3-CE2 3.42Å; W741-F856 HydrophobicContact CE3-CE2 3.42Å; W741-F856 VanDerWaalsContact CE3-CE2 3.42Å; W741-F856 HydrophobicContact CE3-CZ 4.1Å; W741-F856 HydrophobicContact CG-CE2 4.31Å; W741-F856 HydrophobicContact CG-CZ 4.24Å; W741-F856 HydrophobicContact CH2-CD2 4.27Å; W741-F856 AromaticContact CH2-CE2 3.84Å; W741-F856 HydrophobicContact CH2-CE2 3.84Å; W741-F856 AromaticContact CZ2-CE2 3.93Å; W741-F856 HydrophobicContact CZ2-CE2 3.93Å; W741-F856 AromaticContact CZ3-CD2 3.98Å; W741-F856 HydrophobicContact CZ3-CD2 3.98Å; W741-F856 AromaticContact CZ3-CE2 3.58Å; W741-F856 HydrophobicContact CZ3-CE2 3.58Å; C824-F856 HydrophobicContact CB-CE1 4.4Å; C824-F856 HydrophobicContact CB-CE2 3.98Å; C824-F856 HydrophobicContact CB-CZ 3.5Å; C824-F856 VanDerWaalsContact CB-CZ 3.5Å; I825-F856 WeakPolarHBondContact O-CD2 3.28Å; A826-F856 HydrophobicContact CB-CD2 4.31Å; F856-V858 HydrophobicContact CD1-CG2 3.98Å; F856-V858 HydrophobicContact CE1-CG2 3.58Å
857	F	93.9	Very high	85.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	-174.9	-46.4	-90.1	0	0	0	110.2	L698 M701 T703 Q706 C824 I825 L827 F855 Y859	L698-F857 HydrophobicContact CD1-CE1 4.04Å; L698-F857 HydrophobicContact CD1-CZ 3.74Å; M701-F857 HydrophobicContact CB-CD1 3.88Å; M701-F857 HydrophobicContact CB-CE1 4.01Å; M701-F857 HydrophobicContact CE-CB 4.05Å; M701-F857 HydrophobicContact CE-CD1 4.02Å; M701-F857 HydrophobicContact CE-CD2 3.48Å; M701-F857 VanDerWaalsContact CE-CD2 3.48Å; M701-F857 HydrophobicContact CE-CE1 4.36Å; M701-F857 HydrophobicContact CE-CE2 3.85Å; M701-F857 HydrophobicContact CE-CG 3.56Å; M701-F857 HydrophobicContact CE-CZ 4.26Å; M701-F857 HydrophobicContact CG-CD1 3.84Å; M701-F857 HydrophobicContact CG-CE1 3.59Å; M701-F857 HydrophobicContact CG-CE2 4.44Å; M701-F857 HydrophobicContact CG-CG 4.37Å; M701-F857 HydrophobicContact CG-CZ 3.9Å; T703-F857 HydrophobicContact CG2-CB 4.12Å; Q706-F857 HydrophobicContact CB-CD1 3.91Å; Q706-F857 HydrophobicContact CB-CE1 4.1Å; Q706-F857 HydrophobicContact CG-CD1 3.9Å; Q706-F857 HydrophobicContact CG-CE1 4.24Å; C824-F857 WeakPolarHBondContact CA-O 3.48Å; I825-F857 HydrophobicContact CG2-CB 3.86Å; I825-F857 HydrophobicContact CG2-CD2 4.11Å; I825-F857 HydrophobicContact CG2-CG 4.44Å; I825-F857 PolarHBondContact N-O 3.11Å; I825-F857 VanDerWaalsContact N-O 3.1Å; I825-F857 PolarHBondContact O-N 3.27Å; L827-F857 HydrophobicContact CB-CE2 3.71Å; L827-F857 HydrophobicContact CB-CZ 4.33Å; F855-F857 HydrophobicContact CB-CE1 4.2Å; F855-F857 HydrophobicContact CB-CE2 3.58Å; F855-F857 HydrophobicContact CB-CZ 3.35Å; F855-F857 HydrophobicContact CG-CZ 4.1Å; F857-Y859 HydrophobicContact CB-CE2 3.96Å
858	V	92.5	Very high	85.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.8	-179.9	-176.3	0	0	0	0	109.1	L597 T703 H705 F707 L817 L822 K823 F856	L597-V858 HydrophobicContact CD1-CG1 4.32Å; L597-V858 HydrophobicContact CD1-CG2 3.69Å; L597-V858 HydrophobicContact CD2-CG2 3.97Å; T703-V858 WeakPolarHBondContact CB-O 3.45Å; T703-V858 PolarHBondContact OG1-O 2.74Å; H705-V858 HydrophobicContact CB-CB 3.92Å; H705-V858 PolarHBondContact O-N 3.17Å; F707-V858 HydrophobicContact CD2-CG2 4.44Å; F707-V858 HydrophobicContact CE2-CB 4.44Å; F707-V858 HydrophobicContact CE2-CG2 3.84Å; L817-V858 HydrophobicContact CD2-CG1 4.16Å; L822-V858 HydrophobicContact CB-CG1 4.31Å; L822-V858 HydrophobicContact CD1-CG1 4.39Å; L822-V858 HydrophobicContact CD2-CG1 3.96Å; L822-V858 HydrophobicContact CG-CG1 4.45Å; K823-V858 CarbonylContact O-C 3.45Å; K823-V858 WeakPolarHBondContact O-CA 3.44Å; F856-V858 HydrophobicContact CD1-CG2 3.98Å; F856-V858 HydrophobicContact CE1-CG2 3.58Å
859	Y	90.8	Very high	85.2	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142	177	-61.5	-95	0	0	0	110.2	M701 T703 F778 M783 L822 K823 I825 F857 Q863	M701-Y859 WeakPolarHBondContact CE-OH 3.4Å; M701-Y859 VanDerWaalsContact O-CE1 3.28Å; M701-Y859 WeakPolarHBondContact O-CE1 3.37Å; M701-Y859 PolarHBondContact O-OH 2.65Å; T703-Y859 HydrophobicContact CG2-CD1 4.15Å; T703-Y859 HydrophobicContact CG2-CE1 3.62Å; T703-Y859 HydrophobicContact CG2-CE2 4.11Å; F778-Y859 HydrophobicContact CE1-CE2 4.28Å; M783-Y859 HydrophobicContact CE-CD2 3.44Å; M783-Y859 VanDerWaalsContact CE-CD2 3.44Å; M783-Y859 HydrophobicContact CE-CE2 3.91Å; M783-Y859 HydrophobicContact CE-CG 4.25Å; L822-Y859 CarbonylContact C-O 3.14Å; L822-Y859 WeakPolarHBondContact CA-O 3.43Å; K823-Y859 PolarHBondContact N-O 2.6Å; K823-Y859 PolarHBondContact O-N 3.13Å; I825-Y859 HydrophobicContact CG2-CE2 3.95Å; F857-Y859 HydrophobicContact CB-CE2 3.96Å; Y859-Q863 WeakPolarHBondContact CB-O 3.43Å; Y859-Q863 HydrophobicContact CD1-CB 4.47Å
860	E	86.1	Confident	85.5	Confident	20 Å²	20	30.2 Å²	30.2	9%	0.093	18%	0.175	C	C	.	.			trans	-105.4	154.1	-176.2	-54.5	-141.2	82	0	0	111.4	H705 L817 Q818 S819 L822 G862 Q863	H705-E860 IonicContact NE2-OE2 2.93Å; L817-E860 VanDerWaalsContact CA-OE1 3.28Å; L817-E860 WeakPolarHBondContact CA-OE1 3.27Å; L817-E860 WeakPolarHBondContact CB-OE1 3.42Å; L817-E860 HydrophobicContact CD2-CG 4.28Å; Q818-E860 VanDerWaalsContact N-CD 3.34Å; Q818-E860 PolarHBondContact N-OE1 3.03Å; Q818-E860 PolarHBondContact N-OE2 2.77Å; Q818-E860 VanDerWaalsContact N-OE2 3.13Å; S819-E860 WeakPolarHBondContact CB-OE1 3.14Å; S819-E860 PolarHBondContact N-OE1 2.99Å; L822-E860 HydrophobicContact CD2-CG 3.99Å; E860-G862 PolarHBondContact O-N 2.66Å; E860-Q863 VanDerWaalsContact O-CB 3.27Å; E860-Q863 WeakPolarHBondContact O-CB 3.38Å; E860-Q863 VanDerWaalsContact O-CG 3.31Å; E860-Q863 WeakPolarHBondContact O-CG 3.38Å; E860-Q863 PolarHBondContact O-N 3.06Å
861	D	76.2	Confident	85.5	Confident	109 Å²	109	29.3 Å²	29.3	58%	0.583	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	27.2	168.8	-66.5	-44.3	0	0	0	117.3	S819 Q863	S819-D861 VanDerWaalsContact CB-CG 3.48Å; S819-D861 VanDerWaalsContact CB-OD1 3.23Å; S819-D861 WeakPolarHBondContact CB-OD1 3.12Å; S819-D861 PolarHBondContact OG-N 3.35Å; S819-D861 PolarHBondContact OG-OD1 3.21Å; D861-Q863 VanDerWaalsContact C-N 3.31Å
862	G	68.5	Low	85.6	Confident	41 Å²	41	33 Å²	33	42%	0.423	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	15.6	-177.6	0	0	0	0	0	114.4	E860	E860-G862 PolarHBondContact O-N 2.66Å
863	Q	73.3	Confident	85.8	Confident	107 Å²	107	37.7 Å²	37.7	50%	0.5	21%	0.209	S	C	.	.			trans	-56.6	149.3	157.1	-64.5	179.9	25.6	0	0	109.9	Y859 E860 D861	Y859-Q863 WeakPolarHBondContact CB-O 3.43Å; Y859-Q863 HydrophobicContact CD1-CB 4.47Å; E860-Q863 VanDerWaalsContact O-CB 3.27Å; E860-Q863 WeakPolarHBondContact O-CB 3.38Å; E860-Q863 VanDerWaalsContact O-CG 3.31Å; E860-Q863 WeakPolarHBondContact O-CG 3.38Å; E860-Q863 PolarHBondContact O-N 3.06Å; D861-Q863 VanDerWaalsContact C-N 3.31Å
864	V	69.1	Low	85.7	Confident	59 Å²	59	40 Å²	40	36%	0.358	23%	0.233	S	C	.	.			trans	-138.4	142.6	178.2	-167.4	0	0	0	0	106.8	F778 M783	F778-V864 HydrophobicContact CB-CG1 4.32Å; F778-V864 HydrophobicContact CD1-CG1 4.4Å; F778-V864 HydrophobicContact CD2-CG1 3.42Å; F778-V864 VanDerWaalsContact CD2-CG1 3.42Å; F778-V864 HydrophobicContact CE2-CG1 3.64Å; F778-V864 HydrophobicContact CG-CG1 3.84Å; F778-V864 HydrophobicContact CZ-CG1 4.23Å; M783-V864 HydrophobicContact CB-CG1 4.33Å; M783-V864 HydrophobicContact CB-CG2 4.07Å; M783-V864 HydrophobicContact SD-CG1 4Å
865	G	71.4	Confident	85.8	Confident	8 Å²	8	42.1 Å²	42.1	8%	0.082	26%	0.259	C	S	.	.			trans	-68.5	-176.7	171	0	0	0	0	0	111.7	F778 A867	F778-G865 WeakPolarHBondContact CE2-O 3.47Å; G865-A867 PolarHBondContact O-N 2.99Å; G865-A867 VanDerWaalsContact O-N 3.16Å
866	D	80	Confident	85.8	Confident	56 Å²	56	43.1 Å²	43.1	30%	0.299	26%	0.264	S	S	.	.			trans	-64.9	122	173.4	-176.6	4.3	0	0	0	109.9	S774 F778 N868 I869	S774-D866 PolarHBondContact OG-O 3.09Å; F778-D866 WeakPolarHBondContact CE2-O 3.37Å; D866-N868 VanDerWaalsContact C-N 3.28Å; D866-N868 WeakPolarHBondContact OD1-CB 3.35Å; D866-N868 PolarHBondContact OD1-N 2.87Å; D866-N868 PolarHBondContact OD1-ND2 2.89Å; D866-I869 HydrophobicContact CB-CD1 3.92Å; D866-I869 HydrophobicContact CB-CG1 3.77Å; D866-I869 WeakPolarHBondContact O-CG1 3.43Å; D866-I869 WeakPolarHBondContact OD2-CD1 3.3Å
867	A	78.5	Confident	85.6	Confident	36 Å²	36	45.3 Å²	45.3	30%	0.298	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.1	-176.9	0	0	0	0	0	112.9	S774 S775 F778 G865	S774-A867 VanDerWaalsContact OG-CA 3.32Å; S774-A867 WeakPolarHBondContact OG-CA 3.4Å; S774-A867 PolarHBondContact OG-O 3.45Å; S775-A867 WeakPolarHBondContact CB-O 3.33Å; S775-A867 PolarHBondContact N-O 3.31Å; S775-A867 VanDerWaalsContact N-O 3.17Å; S775-A867 PolarHBondContact OG-O 3.24Å; F778-A867 HydrophobicContact CD2-CB 4.22Å; F778-A867 HydrophobicContact CE2-CB 4.35Å; G865-A867 PolarHBondContact O-N 2.99Å; G865-A867 VanDerWaalsContact O-N 3.16Å
868	N	85.7	Confident	85.3	Confident	116 Å²	116	52.7 Å²	52.7	62%	0.62	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-4.8	-177.3	-52	-69.5	0	0	0	113.3	D866 N870	D866-N868 VanDerWaalsContact C-N 3.28Å; D866-N868 WeakPolarHBondContact OD1-CB 3.35Å; D866-N868 PolarHBondContact OD1-N 2.87Å; D866-N868 PolarHBondContact OD1-ND2 2.89Å; N868-N870 PolarHBondContact O-N 2.77Å
869	I	92	Very high	85.3	Confident	12 Å²	12	54 Å²	54	6%	0.062	31%	0.312	C	S	.	.			trans	-64.4	120.2	-176.5	-56.7	-53.6	0	0	0	111.1	F700 F733 M773 S774 D866 I876	F700-I869 HydrophobicContact CB-CD1 3.72Å; F700-I869 HydrophobicContact CB-CG1 4.14Å; F700-I869 HydrophobicContact CD2-CG1 4.14Å; F700-I869 HydrophobicContact CD2-CG2 3.75Å; F700-I869 HydrophobicContact CE2-CG2 4.05Å; F700-I869 HydrophobicContact CG-CD1 4.41Å; F700-I869 HydrophobicContact CG-CG2 4.35Å; F733-I869 HydrophobicContact CE2-CG2 4.15Å; F733-I869 HydrophobicContact CZ-CG2 4.12Å; M773-I869 CarbonylContact C-O 3.56Å; M773-I869 WeakPolarHBondContact CA-O 3.22Å; S774-I869 PolarHBondContact N-O 2.93Å; S774-I869 PolarHBondContact OG-N 3.23Å; D866-I869 HydrophobicContact CB-CD1 3.92Å; D866-I869 HydrophobicContact CB-CG1 3.77Å; D866-I869 WeakPolarHBondContact O-CG1 3.43Å; D866-I869 WeakPolarHBondContact OD2-CD1 3.3Å; I869-I876 HydrophobicContact CD1-CD1 4.11Å; I869-I876 HydrophobicContact CG2-CD1 4.13Å; I869-I876 HydrophobicContact CG2-CG1 4.19Å; I869-I876 HydrophobicContact CG2-CG2 3.83Å
870	N	94.6	Very high	85.3	Confident	34 Å²	34	54 Å²	54	18%	0.182	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-109	119.8	171.1	-174.4	-25	0	0	0	110.2	P772 N868 Q872 E873	P772-N870 WeakPolarHBondContact O-CA 3.33Å; N868-N870 PolarHBondContact O-N 2.77Å; N870-Q872 PolarHBondContact O-N 3.08Å; N870-Q872 VanDerWaalsContact O-N 3.14Å; N870-Q872 WeakPolarHBondContact OD1-CB 3.49Å; N870-Q872 PolarHBondContact OD1-N 3.26Å; N870-E873 HydrophobicContact CB-CG 4.1Å; N870-E873 WeakPolarHBondContact O-CB 3.46Å; N870-E873 PolarHBondContact O-N 3.37Å; N870-E873 VanDerWaalsContact O-N 3.11Å
871	T	94.3	Very high	85.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.6	-179.6	58.4	0	0	0	0	114.8	F731 F733 P772 L827 H877 I880	F731-T871 HydrophobicContact CB-CG2 4.35Å; F731-T871 VanDerWaalsContact O-CB 3.27Å; F731-T871 WeakPolarHBondContact O-CB 3.45Å; F731-T871 PolarHBondContact O-OG1 3.14Å; F733-T871 HydrophobicContact CD2-CG2 3.84Å; F733-T871 HydrophobicContact CE2-CG2 3.52Å; F733-T871 HydrophobicContact CZ-CG2 4.07Å; P772-T871 VanDerWaalsContact CA-OG1 3.26Å; P772-T871 WeakPolarHBondContact CA-OG1 3.28Å; P772-T871 VanDerWaalsContact CB-OG1 3.24Å; P772-T871 WeakPolarHBondContact CB-OG1 3.44Å; P772-T871 PolarHBondContact O-N 3.28Å; P772-T871 PolarHBondContact O-OG1 2.94Å; L827-T871 HydrophobicContact CD1-CG2 3.71Å; T871-H877 PolarHBondContact O-ND1 2.87Å; T871-I880 HydrophobicContact CG2-CD1 4.41Å
872	Q	94	Very high	85.7	Confident	80 Å²	80	56.7 Å²	56.7	37%	0.374	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.6	176.5	-51	-49.4	-84.9	0	0	112.7	T730 F731 P772 W843 N870 G874	T730-Q872 PolarHBondContact OG1-NE2 2.97Å; T730-Q872 PolarHBondContact OG1-OE1 2.87Å; F731-Q872 PolarHBondContact O-NE2 3.1Å; F731-Q872 VanDerWaalsContact O-NE2 3.09Å; P772-Q872 HydrophobicContact CB-CG 3.9Å; W843-Q872 HydrophobicContact CH2-CG 4.29Å; W843-Q872 HydrophobicContact CZ2-CG 4.3Å; N870-Q872 PolarHBondContact O-N 3.08Å; N870-Q872 VanDerWaalsContact O-N 3.14Å; N870-Q872 WeakPolarHBondContact OD1-CB 3.49Å; N870-Q872 PolarHBondContact OD1-N 3.26Å; Q872-G874 PolarHBondContact O-N 2.95Å
873	E	94.2	Very high	86.3	Confident	100 Å²	100	55 Å²	55	47%	0.467	30%	0.3	S	S	.	.	S	Bend	trans	-68	128.6	173.2	-74.1	174	-155.4	0	0	110.9	N870 G875 I876 H877	N870-E873 HydrophobicContact CB-CG 4.1Å; N870-E873 WeakPolarHBondContact O-CB 3.46Å; N870-E873 PolarHBondContact O-N 3.37Å; N870-E873 VanDerWaalsContact O-N 3.11Å; E873-G875 PolarHBondContact O-N 3.45Å; E873-I876 HydrophobicContact CB-CB 4.33Å; E873-I876 HydrophobicContact CB-CG1 4.09Å; E873-I876 PolarHBondContact O-N 2.7Å; E873-I876 VanDerWaalsContact O-N 3.11Å; E873-H877 WeakPolarHBondContact O-CB 3.31Å; E873-H877 PolarHBondContact O-N 2.86Å
874	G	89.2	Confident	86.4	Confident	49 Å²	49	51.4 Å²	51.4	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-20.9	-174.8	0	0	0	0	0	115.1	Q872 K878	Q872-G874 PolarHBondContact O-N 2.95Å; G874-K878 WeakPolarHBondContact O-CB 3.49Å; G874-K878 VanDerWaalsContact O-CD 3.3Å; G874-K878 WeakPolarHBondContact O-CD 3.26Å; G874-K878 WeakPolarHBondContact O-CG 3.49Å; G874-K878 PolarHBondContact O-N 3.28Å
875	G	90.9	Very high	85.9	Confident	57 Å²	57	50 Å²	50	59%	0.588	28%	0.282	S	S	*	.	H	α-helix	trans	-74.2	-55.5	171.3	0	0	0	0	0	112.2	E873 H877 K878 E879	E873-G875 PolarHBondContact O-N 3.45Å; G875-H877 VanDerWaalsContact C-N 3.35Å; G875-H877 PolarHBondContact O-N 2.57Å; G875-K878 PolarHBondContact O-N 2.81Å; G875-E879 PolarHBondContact O-N 3.07Å
876	I	92.5	Very high	84.8	Confident	20 Å²	20	53.5 Å²	53.5	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-47.2	177.7	-58.2	-59.4	0	0	0	110.7	F700 I869 E873 K878 E879 I880	F700-I876 HydrophobicContact CB-CD1 4.06Å; F700-I876 HydrophobicContact CD1-CD1 3.73Å; F700-I876 HydrophobicContact CD1-CG2 4.34Å; F700-I876 HydrophobicContact CE1-CD1 4.33Å; F700-I876 HydrophobicContact CE1-CG2 3.9Å; F700-I876 HydrophobicContact CE2-CG2 4.33Å; F700-I876 HydrophobicContact CG-CD1 3.92Å; F700-I876 HydrophobicContact CZ-CG2 3.9Å; I869-I876 HydrophobicContact CD1-CD1 4.11Å; I869-I876 HydrophobicContact CG2-CD1 4.13Å; I869-I876 HydrophobicContact CG2-CG1 4.19Å; I869-I876 HydrophobicContact CG2-CG2 3.83Å; E873-I876 HydrophobicContact CB-CB 4.33Å; E873-I876 HydrophobicContact CB-CG1 4.09Å; E873-I876 PolarHBondContact O-N 2.7Å; E873-I876 VanDerWaalsContact O-N 3.11Å; I876-K878 PolarHBondContact O-N 2.93Å; I876-E879 PolarHBondContact O-N 3.16Å; I876-E879 VanDerWaalsContact O-N 3.16Å; I876-I880 HydrophobicContact CG2-CD1 3.84Å; I876-I880 VanDerWaalsContact O-CG1 3.31Å; I876-I880 WeakPolarHBondContact O-CG1 3.48Å; I876-I880 PolarHBondContact O-N 2.84Å
877	H	89.4	Confident	83.2	Confident	46 Å²	46	52.6 Å²	52.6	21%	0.213	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-42.5	179.3	-165.4	96.9	0	0	0	112.4	F731 T871 E873 G875 I880 L881	F731-H877 AromaticContact CD2-CE1 3.79Å; F731-H877 AromaticContact CD2-ND1 3.94Å; T871-H877 PolarHBondContact O-ND1 2.87Å; E873-H877 WeakPolarHBondContact O-CB 3.31Å; E873-H877 PolarHBondContact O-N 2.86Å; G875-H877 VanDerWaalsContact C-N 3.35Å; G875-H877 PolarHBondContact O-N 2.57Å; H877-I880 PolarHBondContact O-N 2.96Å; H877-L881 WeakPolarHBondContact O-CG 3.45Å; H877-L881 PolarHBondContact O-N 3.24Å
878	K	89.3	Confident	81.2	Confident	156 Å²	156	55.8 Å²	55.8	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-67.7	-36.1	175.1	-76.1	174.8	-175.1	-179.5	0	112.6	G874 G875 I876 R882	G874-K878 WeakPolarHBondContact O-CB 3.49Å; G874-K878 VanDerWaalsContact O-CD 3.3Å; G874-K878 WeakPolarHBondContact O-CD 3.26Å; G874-K878 WeakPolarHBondContact O-CG 3.49Å; G874-K878 PolarHBondContact O-N 3.28Å; G875-K878 PolarHBondContact O-N 2.81Å; I876-K878 PolarHBondContact O-N 2.93Å; K878-R882 VanDerWaalsContact O-CB 3.3Å; K878-R882 WeakPolarHBondContact O-CB 3.32Å; K878-R882 PolarHBondContact O-N 3.1Å
879	E	90.7	Very high	78.3	Confident	27 Å²	27	54 Å²	54	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-41	174.5	175.3	146.3	-105.7	0	0	111.8	L698 F700 G875 I876 R882 V883	L698-E879 HydrophobicContact CD2-CG 3.76Å; F700-E879 HydrophobicContact CD1-CG 4.32Å; F700-E879 WeakPolarHBondContact CD1-OE2 3.37Å; F700-E879 HydrophobicContact CE1-CB 4.3Å; F700-E879 HydrophobicContact CE1-CG 3.99Å; G875-E879 PolarHBondContact O-N 3.07Å; I876-E879 PolarHBondContact O-N 3.16Å; I876-E879 VanDerWaalsContact O-N 3.16Å; E879-R882 PolarHBondContact O-N 3.18Å; E879-R882 IonicContact OE1-CZ 3.38Å; E879-R882 VanDerWaalsContact OE1-CZ 3.28Å; E879-R882 IonicContact OE1-NH1 2.84Å; E879-R882 PolarHBondContact OE1-NH1 2.96Å; E879-R882 IonicContact OE1-NH2 3.63Å; E879-R882 PolarHBondContact OE1-NH2 3.05Å; E879-V883 PolarHBondContact O-N 3.44Å
880	I	90.6	Very high	75.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-51.7	173.4	-63.3	161.2	0	0	0	110.5	L698 F700 F731 L827 F855 T871 I876 H877 R882 V883 I884	L698-I880 HydrophobicContact CD2-CG1 4.33Å; F700-I880 HydrophobicContact CE1-CG1 4.19Å; F700-I880 HydrophobicContact CZ-CD1 4.16Å; F700-I880 HydrophobicContact CZ-CG1 3.79Å; F731-I880 HydrophobicContact CB-CD1 4.26Å; F731-I880 HydrophobicContact CD1-CG2 3.85Å; F731-I880 HydrophobicContact CD2-CB 4.31Å; F731-I880 HydrophobicContact CD2-CD1 4.38Å; F731-I880 HydrophobicContact CD2-CG2 3.7Å; F731-I880 HydrophobicContact CE1-CG2 3.81Å; F731-I880 HydrophobicContact CE2-CB 4.4Å; F731-I880 HydrophobicContact CE2-CG2 3.67Å; F731-I880 HydrophobicContact CG-CD1 4.37Å; F731-I880 HydrophobicContact CG-CG2 3.81Å; F731-I880 HydrophobicContact CZ-CG2 3.74Å; L827-I880 HydrophobicContact CD2-CD1 3.77Å; L827-I880 HydrophobicContact CD2-CG1 3.88Å; L827-I880 HydrophobicContact CD2-CG2 4.2Å; F855-I880 HydrophobicContact CE2-CG2 4.16Å; T871-I880 HydrophobicContact CG2-CD1 4.41Å; I876-I880 HydrophobicContact CG2-CD1 3.84Å; I876-I880 VanDerWaalsContact O-CG1 3.31Å; I876-I880 WeakPolarHBondContact O-CG1 3.48Å; I876-I880 PolarHBondContact O-N 2.84Å; H877-I880 PolarHBondContact O-N 2.96Å; I880-R882 VanDerWaalsContact C-N 3.29Å; I880-R882 PolarHBondContact O-N 2.55Å; I880-V883 PolarHBondContact O-N 2.91Å; I880-V883 VanDerWaalsContact O-N 3.15Å; I880-I884 HydrophobicContact CG2-CD1 3.99Å; I880-I884 PolarHBondContact O-N 2.86Å; I880-I884 VanDerWaalsContact O-N 3.08Å
881	L	86.6	Confident	71.9	Confident	79 Å²	79	62.6 Å²	62.6	41%	0.414	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-34.4	178.4	-74.1	179.6	0	0	0	113	F731 H877 I884 G885	F731-L881 HydrophobicContact CE2-CD2 3.74Å; F731-L881 HydrophobicContact CE2-CG 4.12Å; F731-L881 HydrophobicContact CZ-CD2 3.92Å; H877-L881 WeakPolarHBondContact O-CG 3.45Å; H877-L881 PolarHBondContact O-N 3.24Å; L881-I884 PolarHBondContact O-N 2.96Å; L881-G885 PolarHBondContact O-N 2.69Å
882	R	85.2	Confident	70.7	Confident	107 Å²	107	65.7 Å²	65.7	40%	0.404	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-38.7	175	-172.3	-167.5	73.1	-137.6	-4.6	112.2	K878 E879 I880 N886	K878-R882 VanDerWaalsContact O-CB 3.3Å; K878-R882 WeakPolarHBondContact O-CB 3.32Å; K878-R882 PolarHBondContact O-N 3.1Å; E879-R882 PolarHBondContact O-N 3.18Å; E879-R882 IonicContact OE1-CZ 3.38Å; E879-R882 VanDerWaalsContact OE1-CZ 3.28Å; E879-R882 IonicContact OE1-NH1 2.84Å; E879-R882 PolarHBondContact OE1-NH1 2.96Å; E879-R882 IonicContact OE1-NH2 3.63Å; E879-R882 PolarHBondContact OE1-NH2 3.05Å; I880-R882 VanDerWaalsContact C-N 3.29Å; I880-R882 PolarHBondContact O-N 2.55Å; R882-N886 VanDerWaalsContact O-CB 3.28Å; R882-N886 WeakPolarHBondContact O-CB 3.48Å; R882-N886 PolarHBondContact O-N 3.05Å; R882-N886 PolarHBondContact O-OD1 3.16Å
883	V	80.2	Confident	69.5	Low	5 Å²	5	64.9 Å²	64.9	3%	0.03	41%	0.414	C	S	.	.	H	α-helix	trans	-77	-27.5	179.2	177.5	0	0	0	0	112	R696 L698 F855 E879 I880 Q887	R696-V883 WeakPolarHBondContact O-CG1 3.27Å; R696-V883 WeakPolarHBondContact O-CG2 3.31Å; L698-V883 HydrophobicContact CD2-CB 4.05Å; L698-V883 HydrophobicContact CD2-CG2 3.63Å; L698-V883 HydrophobicContact CG-CG2 4.28Å; F855-V883 HydrophobicContact CE1-CG1 3.62Å; F855-V883 HydrophobicContact CZ-CB 4.1Å; F855-V883 HydrophobicContact CZ-CG1 3.62Å; E879-V883 PolarHBondContact O-N 3.44Å; I880-V883 PolarHBondContact O-N 2.91Å; I880-V883 VanDerWaalsContact O-N 3.15Å; V883-Q887 PolarHBondContact O-NE2 3.13Å; V883-Q887 VanDerWaalsContact O-NE2 3.1Å
884	I	75.8	Confident	68.2	Low	33 Å²	33	63 Å²	63	17%	0.169	41%	0.411	C	S	.	.	H	α-helix	trans	-77.8	-56.1	172.6	-63.1	175.3	0	0	0	111	F731 R854 F855 I880 L881 N886 Q887	F731-I884 HydrophobicContact CE1-CD1 3.45Å; F731-I884 VanDerWaalsContact CE1-CD1 3.45Å; F731-I884 HydrophobicContact CZ-CD1 3.5Å; R854-I884 HydrophobicContact CB-CD1 4.47Å; R854-I884 HydrophobicContact CG-CD1 4.32Å; F855-I884 HydrophobicContact CE2-CD1 3.93Å; F855-I884 HydrophobicContact CE2-CG1 3.75Å; F855-I884 HydrophobicContact CZ-CD1 4.39Å; F855-I884 HydrophobicContact CZ-CG1 3.69Å; I880-I884 HydrophobicContact CG2-CD1 3.99Å; I880-I884 PolarHBondContact O-N 2.86Å; I880-I884 VanDerWaalsContact O-N 3.08Å; L881-I884 PolarHBondContact O-N 2.96Å; I884-N886 VanDerWaalsContact C-N 3.27Å; I884-N886 PolarHBondContact O-N 2.86Å; I884-Q887 VanDerWaalsContact O-CB 3.26Å; I884-Q887 WeakPolarHBondContact O-CB 3.23Å; I884-Q887 PolarHBondContact O-N 3.06Å
885	G	59.1	Low	66.9	Low	29 Å²	29	63.8 Å²	63.8	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-65.9	-22	-174.3	0	0	0	0	0	115.2	L881 Q887 T888	L881-G885 PolarHBondContact O-N 2.69Å; G885-Q887 PolarHBondContact O-N 2.78Å; G885-T888 PolarHBondContact O-N 3.48Å; G885-T888 PolarHBondContact O-OG1 3.28Å
886	N	48.6	Very low	65.4	Low	81 Å²	81	64.3 Å²	64.3	43%	0.433	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	2.8	170.5	-73.5	22.9	0	0	0	113.5	R696 R882 I884 T890	R696-N886 PolarHBondContact NH2-O 2.93Å; R882-N886 VanDerWaalsContact O-CB 3.28Å; R882-N886 WeakPolarHBondContact O-CB 3.48Å; R882-N886 PolarHBondContact O-N 3.05Å; R882-N886 PolarHBondContact O-OD1 3.16Å; I884-N886 VanDerWaalsContact C-N 3.27Å; I884-N886 PolarHBondContact O-N 2.86Å; N886-T890 PolarHBondContact O-OG1 3.44Å
887	Q	45.9	Very low	63.6	Low	37 Å²	37	67.2 Å²	67.2	17%	0.173	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-61.1	160.5	-66.1	162.3	61.7	0	0	107.4	V883 I884 G885 A889 T890	V883-Q887 PolarHBondContact O-NE2 3.13Å; V883-Q887 VanDerWaalsContact O-NE2 3.1Å; I884-Q887 VanDerWaalsContact O-CB 3.26Å; I884-Q887 WeakPolarHBondContact O-CB 3.23Å; I884-Q887 PolarHBondContact O-N 3.06Å; G885-Q887 PolarHBondContact O-N 2.78Å; Q887-A889 PolarHBondContact O-N 3Å; Q887-T890 PolarHBondContact O-N 3.23Å
888	T	35.7	Very low	61.8	Low	103 Å²	103	68.7 Å²	68.7	63%	0.632	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	11.9	-178.5	51.8	0	0	0	0	117.8	E233 G885	E233-T888 WeakPolarHBondContact OE1-CA 3.45Å; E233-T888 PolarHBondContact OE1-N 3.25Å; E233-T888 WeakPolarHBondContact OE2-CA 3.07Å; G885-T888 PolarHBondContact O-N 3.48Å; G885-T888 PolarHBondContact O-OG1 3.28Å
889	A	25.1	Very low	59.7	Low	78 Å²	78	62 Å²	62	65%	0.645	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	-6	177.9	0	0	0	0	0	114.1	Q887	Q887-A889 PolarHBondContact O-N 3Å
890	T	24.5	Very low	57.1	Low	84 Å²	84	64.9 Å²	64.9	52%	0.515	43%	0.432	S	S	.	.			trans	-150.8	95.7	177	49.2	0	0	0	0	111.5	R696 N886 Q887	R696-T890 PolarHBondContact NH2-O 3.31Å; R696-T890 PolarHBondContact NH2-OG1 3.23Å; N886-T890 PolarHBondContact O-OG1 3.44Å; Q887-T890 PolarHBondContact O-N 3.23Å
891	G	27.7	Very low	54	Low	143 Å²	143	70.8 Å²	70.8	100%	1.474	47%	0.472	S	S	*	.			trans	173.8	0	-178.4	0	0	0	0	0	109.1

Retrieved 891 of 891 residues in 406.2 ms (Link to these results)

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