A0A3Q0KS31_SCHMA Loading...

Putative btb and poz domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 988 aa.

						>A0A3Q0KS31_SCHMA|A0A3Q0KS31
MSDQALVRSGVSFTNAVQDDPLVYEINHSKEIIPCISQLYRNETFSDVVLVVQNTRFPAHRAILAARSEYFRALFYGGLAESSSSVVYLNDINVIAFKSILNYIYTGQMKLTKPKLTLSILCLAHQYNFRSLETVISTYLTHSLSVKNVWCIYDMAIMYNLDSLITACLRFLDCLAPAPLYNPRFLRLSQSSVERLLSRDSFCASEIEIFRAVCAWLRNSKESNCRTLQTLHLSNIPVITTDNNDGNNDSDNMVEQHSLSTEKKEPNISCLTENNTKTVSSSSSPLHMEKPPSIRDVENDKQSSANDCMTTTSEESRCTHMMHQCVRFELMSLTELLTEVRSSKLVSSEELLDAINRQTNCPTEMPHRGWLLPGVNLACPRFGCSLIAGENGTYPHFFVEHSLDSDELNVNKLNIESLKINEDDSSIADYSERNVIPGDTNDDSDSIEDDDTDEEQDEIHCRSHYFQQQNNDQIQAPTMDMMSDNSGHLFSRHHDHVQLPRSSLPESVVWGINHTLNNNSWSSLHYSDNNQVWSSNAQDHIQHNGSNVTPFDGSSILNTPIAPSITNFVNDNNKPARWIQPSSRRPVSQHKPPPPHSEYDVVRHSLNDPNANIIIRLGKPSIVNTIRMQLWDQDLRSYSYTIDVSLDQSTWHRIVDYQNYMCRSWQTLYFPSRVIHFIRITGTRNTFNRTFHLITFRCFYSEKVFQQVDGFMVPTFNVANVDHGATVLEGVSRNRNALIDGNIRMYDWNSGYTCHQLGNGAIVVQLAQPFLLRSMRFLLWDLDSRTYSYSVYVSNDRVDWKLVRDASTEPCRSWQIIKFPLQLVTFIRVVGSYNTANDVFHLVHLECPYPPAQTTKDTIEANFVTISNPPINTTIDLNNNPEIVTLSTPTTVVVTQSTSVNDSSNHMNESHSIINSNDPSIINPLTSSDHLLLNSSGNIRPVSNIQNTTNDEVLSLNNNDRSHSTNMTIIHTDYDLLPDLSHHSIHPT
					

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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	36.4	Very low	34.1	Very low	231 Å²	231	140.3 Å²	140.3	100%	1.138	81%	0.805	S	S	*	*				0	84.5	0	-64.7	161	173.5	0	0	104.9
2	S	30.5	Very low	34.4	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	81%	0.805	S	S	*	*				62.4	118.3	67.9	78.2	0	0	0	0	110
3	D	38.9	Very low	34.3	Very low	158 Å²	158	141.8 Å²	141.8	85%	0.845	81%	0.806	S	S	*	*			cis	-124.5	168.9	33.8	-63.4	-38.5	0	0	0	116.4
4	Q	33	Very low	34.7	Very low	190 Å²	190	141.5 Å²	141.5	89%	0.888	81%	0.808	S	S	*	*			trans	-118.8	150.1	177.1	-75.3	-177.3	-31.4	0	0	111.8
5	A	32.4	Very low	34.8	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	81%	0.81	S	S	*	*			trans	47.6	105.3	147.4	0	0	0	0	0	119.9
6	L	32.1	Very low	34.9	Very low	136 Å²	136	139.5 Å²	139.5	71%	0.712	81%	0.808	S	S	*	*			trans	-148.4	80.6	139.8	-159.9	70.4	0	0	0	113	R8	L6-R8 HydrophobicContact CD1-CG 4.01Å; L6-R8 HydrophobicContact CG-CG 4.17Å
7	V	33.7	Very low	35.7	Very low	152 Å²	152	139.2 Å²	139.2	92%	0.921	81%	0.808	S	S	*	*			trans	-86.3	113.5	159.7	178	0	0	0	0	107.6
8	R	34.3	Very low	36.3	Very low	197 Å²	197	141.4 Å²	141.4	74%	0.743	81%	0.81	S	S	*	*			trans	-130.6	118.2	173.2	-84.6	-172.8	171	-179.2	-2	111.1	L6 G10	L6-R8 HydrophobicContact CD1-CG 4.01Å; L6-R8 HydrophobicContact CG-CG 4.17Å; R8-G10 PolarHBondContact O-N 3.47Å
9	S	35.1	Very low	36.5	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	81%	0.814	S	S	*	*			trans	32.9	82.6	149.2	59.4	0	0	0	0	116.9	V11	S9-V11 PolarHBondContact O-N 3.28Å; S9-V11 VanDerWaalsContact O-N 3.08Å
10	G	34.3	Very low	37.3	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	80%	0.804	S	S	*	*			trans	-74.4	90.9	167	0	0	0	0	0	111.5	R8	R8-G10 PolarHBondContact O-N 3.47Å
11	V	34.6	Very low	38.1	Very low	109 Å²	109	140.2 Å²	140.2	66%	0.661	80%	0.802	S	S	*	*			trans	-80.5	133.1	168.1	-177.9	0	0	0	0	108.7	S9 F13	S9-V11 PolarHBondContact O-N 3.28Å; S9-V11 VanDerWaalsContact O-N 3.08Å; V11-F13 HydrophobicContact CG1-CD2 3.87Å; V11-F13 HydrophobicContact CG1-CE2 3.65Å; V11-F13 HydrophobicContact CG1-CZ 4.4Å
12	S	37	Very low	39.2	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	79%	0.788	S	S	*	*			trans	-123.1	111.4	172.1	-63.3	0	0	0	0	109.2
13	F	33.3	Very low	40.9	Very low	187 Å²	187	137.6 Å²	137.6	82%	0.82	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.8	125.2	170	-77.8	-87.6	0	0	0	109.7	V11	V11-F13 HydrophobicContact CG1-CD2 3.87Å; V11-F13 HydrophobicContact CG1-CE2 3.65Å; V11-F13 HydrophobicContact CG1-CZ 4.4Å
14	T	40.5	Very low	42.7	Very low	137 Å²	137	139.4 Å²	139.4	84%	0.84	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-96.4	128.1	163.4	46.8	0	0	0	0	108.7
15	N	35.3	Very low	45.1	Very low	157 Å²	157	137.2 Å²	137.2	84%	0.84	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-76.9	154.6	-169.1	-78.7	-21.3	0	0	0	114.8
16	A	37.6	Very low	47.7	Very low	94 Å²	94	138.1 Å²	138.1	78%	0.777	77%	0.765	S	S	*	*			trans	75.4	83.5	153.3	0	0	0	0	0	119.6
17	V	47.5	Very low	50.3	Low	134 Å²	134	136.4 Å²	136.4	81%	0.812	76%	0.756	S	S	*	*	S	Bend		-138.1	145.4	119.5	180	0	0	0	0	107.9
18	Q	46.3	Very low	53	Low	180 Å²	180	134 Å²	134	84%	0.841	74%	0.735	S	S	*	*			trans	-7.3	126.8	177.5	-67	165.6	-100.3	0	0	119.1	D20	Q18-D20 PolarHBondContact O-N 3.49Å
19	D	41.1	Very low	55.6	Low	166 Å²	166	127.6 Å²	127.6	89%	0.888	72%	0.72	S	S	*	*			trans	-63	108.7	177.2	-58.5	-70	0	0	0	113.8
20	D	52.6	Low	58.1	Low	114 Å²	114	130.9 Å²	130.9	61%	0.61	72%	0.722	S	S	*	*			trans	-96.6	110.3	156.8	-174.1	-2.5	0	0	0	108.9	Q18 L22 V23	Q18-D20 PolarHBondContact O-N 3.49Å; D20-L22 PolarHBondContact O-N 3.45Å; D20-V23 HydrophobicContact CB-CG2 4.11Å
21	P	52.8	Low	60.7	Low	118 Å²	118	133 Å²	133	77%	0.766	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	7	-164.1	-25	35.5	0	0	0	118.4
22	L	60.5	Low	63.4	Low	160 Å²	160	132.3 Å²	132.3	84%	0.838	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	7.9	-173.5	-72.2	174.8	0	0	0	115.7	D20 Y24	D20-L22 PolarHBondContact O-N 3.45Å; L22-Y24 PolarHBondContact O-N 3.18Å
23	V	66.9	Low	65.8	Low	117 Å²	117	131 Å²	131	71%	0.709	69%	0.687	S	S	*	*			trans	-81.3	106.3	177.2	-175.6	0	0	0	0	111	D20	D20-V23 HydrophobicContact CB-CG2 4.11Å
24	Y	76.2	Confident	68.6	Low	197 Å²	197	125.2 Å²	125.2	77%	0.773	67%	0.668	S	S	*	*			trans	-109	103.7	173.7	-175.1	-105.6	0	0	0	110.7	L22 I26	L22-Y24 PolarHBondContact O-N 3.18Å; Y24-I26 HydrophobicContact CD1-CD1 4.15Å; Y24-I26 HydrophobicContact CD1-CG1 3.73Å; Y24-I26 HydrophobicContact CE1-CD1 4Å; Y24-I26 HydrophobicContact CE1-CG1 3.55Å
25	E	82.5	Confident	71	Confident	144 Å²	144	122.3 Å²	122.3	67%	0.673	65%	0.653	S	S	*	*			trans	-79	126.4	177.3	-167.3	-168.8	136.1	0	0	111.5	N27	E25-N27 WeakPolarHBondContact OE1-CB 3.47Å; E25-N27 PolarHBondContact OE1-ND2 3.48Å
26	I	86.5	Confident	73.8	Confident	113 Å²	113	117.8 Å²	117.8	58%	0.579	63%	0.628	S	S	*	*			trans	-105.9	111.1	172.3	-62.7	178	0	0	0	108.6	Y24 H28	Y24-I26 HydrophobicContact CD1-CD1 4.15Å; Y24-I26 HydrophobicContact CD1-CG1 3.73Å; Y24-I26 HydrophobicContact CE1-CD1 4Å; Y24-I26 HydrophobicContact CE1-CG1 3.55Å; I26-H28 WeakPolarHBondContact CG2-CD2 3.45Å; I26-H28 VanDerWaalsContact CG2-NE2 3.35Å; I26-H28 WeakPolarHBondContact CG2-NE2 3.21Å
27	N	87.8	Confident	76.4	Confident	99 Å²	99	114.9 Å²	114.9	53%	0.529	60%	0.602	S	S	.	*			trans	-120.4	82	-172.4	-162.3	-39.8	0	0	0	112.7	E25 S29	E25-N27 WeakPolarHBondContact OE1-CB 3.47Å; E25-N27 PolarHBondContact OE1-ND2 3.48Å; N27-S29 VanDerWaalsContact C-N 3.28Å; N27-S29 PolarHBondContact O-N 3.14Å; N27-S29 VanDerWaalsContact OD1-CB 3.28Å; N27-S29 WeakPolarHBondContact OD1-CB 3.29Å; N27-S29 PolarHBondContact OD1-N 3.41Å; N27-S29 PolarHBondContact OD1-OG 3.39Å
28	H	90.2	Very high	78.6	Confident	103 Å²	103	115.2 Å²	115.2	48%	0.477	60%	0.595	S	S	.	*			trans	-86.9	17.6	175.8	-66.3	-66.8	0	0	0	113.8	I26 K30 E31 I32	I26-H28 WeakPolarHBondContact CG2-CD2 3.45Å; I26-H28 VanDerWaalsContact CG2-NE2 3.35Å; I26-H28 WeakPolarHBondContact CG2-NE2 3.21Å; H28-K30 PolarHBondContact O-N 3.5Å; H28-K30 VanDerWaalsContact O-N 3.08Å; H28-E31 IonicContact CE1-OE1 2.98Å; H28-E31 IonicContact CG-OE1 3.2Å; H28-E31 VanDerWaalsContact ND1-CD 3.32Å; H28-E31 IonicContact ND1-OE1 3.17Å; H28-E31 PolarHBondContact ND1-OE1 3.46Å; H28-E31 IonicContact ND1-OE2 2.93Å; H28-E31 PolarHBondContact ND1-OE2 3.34Å; H28-E31 WeakPolarHBondContact O-CB 3.23Å; H28-E31 PolarHBondContact O-N 3.44Å; H28-I32 PolarHBondContact O-N 3.27Å
29	S	89.9	Confident	80.8	Confident	62 Å²	62	108.7 Å²	108.7	43%	0.434	57%	0.565	S	S	.	*	H	α-helix	trans	-52.6	-36	-174.6	56.7	0	0	0	0	114.2	N27 E31	N27-S29 VanDerWaalsContact C-N 3.28Å; N27-S29 PolarHBondContact O-N 3.14Å; N27-S29 VanDerWaalsContact OD1-CB 3.28Å; N27-S29 WeakPolarHBondContact OD1-CB 3.29Å; N27-S29 PolarHBondContact OD1-N 3.41Å; N27-S29 PolarHBondContact OD1-OG 3.39Å; S29-E31 VanDerWaalsContact C-N 3.35Å
30	K	87.5	Confident	83.3	Confident	170 Å²	170	103.1 Å²	103.1	74%	0.739	53%	0.532	S	S	*	.	H	α-helix	trans	-72.7	-22.9	179	-63.4	176.5	-176.4	171.1	0	113.8	H28 P34	H28-K30 PolarHBondContact O-N 3.5Å; H28-K30 VanDerWaalsContact O-N 3.08Å; K30-P34 WeakPolarHBondContact O-CD 3.23Å
31	E	88.3	Confident	85	Confident	118 Å²	118	103.8 Å²	103.8	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-86	-26.7	179.8	-66	163.7	-122	0	0	111.7	H28 S29 I33 P34 C35	H28-E31 IonicContact CE1-OE1 2.98Å; H28-E31 IonicContact CG-OE1 3.2Å; H28-E31 VanDerWaalsContact ND1-CD 3.32Å; H28-E31 IonicContact ND1-OE1 3.17Å; H28-E31 PolarHBondContact ND1-OE1 3.46Å; H28-E31 IonicContact ND1-OE2 2.93Å; H28-E31 PolarHBondContact ND1-OE2 3.34Å; H28-E31 WeakPolarHBondContact O-CB 3.23Å; H28-E31 PolarHBondContact O-N 3.44Å; S29-E31 VanDerWaalsContact C-N 3.35Å; E31-I33 PolarHBondContact O-N 2.96Å; E31-P34 WeakPolarHBondContact O-CD 3.43Å; E31-C35 PolarHBondContact O-SG 2.77Å
32	I	90.2	Very high	86.8	Confident	94 Å²	94	100.4 Å²	100.4	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-37.5	177.7	-64	172.5	0	0	0	111.7	H28 C35 I36	H28-I32 PolarHBondContact O-N 3.27Å; I32-C35 PolarHBondContact O-N 3.46Å; I32-C35 VanDerWaalsContact O-N 3.16Å; I32-I36 HydrophobicContact CG2-CD1 3.63Å; I32-I36 HydrophobicContact CG2-CG1 4.07Å; I32-I36 WeakPolarHBondContact O-CG1 3.32Å; I32-I36 PolarHBondContact O-N 3.2Å
33	I	89.1	Confident	88.3	Confident	86 Å²	86	100 Å²	100	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-48.3	-176.6	-63.6	170.8	0	0	0	112	E31 C35 I36 S37	E31-I33 PolarHBondContact O-N 2.96Å; I33-C35 VanDerWaalsContact C-N 3.33Å; I33-C35 PolarHBondContact O-N 2.71Å; I33-I36 PolarHBondContact O-N 3.27Å; I33-S37 WeakPolarHBondContact O-CB 3.49Å; I33-S37 PolarHBondContact O-N 2.65Å; I33-S37 PolarHBondContact O-OG 3.37Å
34	P	91.7	Very high	89.4	Confident	66 Å²	66	99.7 Å²	99.7	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-53.2	-43.2	168.9	-30.2	35.2	0	0	0	114.4	K30 E31 S37 Q38	K30-P34 WeakPolarHBondContact O-CD 3.23Å; E31-P34 WeakPolarHBondContact O-CD 3.43Å; P34-S37 WeakPolarHBondContact O-CB 3.49Å; P34-S37 PolarHBondContact O-N 3.35Å; P34-Q38 WeakPolarHBondContact O-CG 3.47Å; P34-Q38 PolarHBondContact O-N 2.82Å; P34-Q38 VanDerWaalsContact O-N 3.15Å
35	C	91.2	Very high	90.1	Very high	77 Å²	77	96.7 Å²	96.7	52%	0.52	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-41.9	179.5	-64.6	0	0	0	0	112.4	E31 I32 I33 S37 Q38	E31-C35 PolarHBondContact O-SG 2.77Å; I32-C35 PolarHBondContact O-N 3.46Å; I32-C35 VanDerWaalsContact O-N 3.16Å; I33-C35 VanDerWaalsContact C-N 3.33Å; I33-C35 PolarHBondContact O-N 2.71Å; C35-S37 VanDerWaalsContact C-N 3.33Å; C35-Q38 PolarHBondContact O-N 3.05Å
36	I	92.4	Very high	90.7	Very high	62 Å²	62	91.3 Å²	91.3	32%	0.318	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-38.1	173.2	-66.2	176.9	0	0	0	110.5	I32 I33 Q38 L39 I63 Y105	I32-I36 HydrophobicContact CG2-CD1 3.63Å; I32-I36 HydrophobicContact CG2-CG1 4.07Å; I32-I36 WeakPolarHBondContact O-CG1 3.32Å; I32-I36 PolarHBondContact O-N 3.2Å; I33-I36 PolarHBondContact O-N 3.27Å; I36-Q38 PolarHBondContact O-N 3.27Å; I36-L39 WeakPolarHBondContact O-CB 3.34Å; I36-L39 PolarHBondContact O-N 3.31Å; I36-I63 HydrophobicContact CG2-CD1 4.27Å; I36-Y105 HydrophobicContact CG2-CD1 4.45Å; I36-Y105 WeakPolarHBondContact O-CD1 3.46Å
37	S	93.4	Very high	91.1	Very high	33 Å²	33	89.6 Å²	89.6	23%	0.231	46%	0.455	C	S	.	.	H	α-helix	trans	-61	-31.9	178.7	-59.3	0	0	0	0	112.7	I33 P34 C35 L39 Y40	I33-S37 WeakPolarHBondContact O-CB 3.49Å; I33-S37 PolarHBondContact O-N 2.65Å; I33-S37 PolarHBondContact O-OG 3.37Å; P34-S37 WeakPolarHBondContact O-CB 3.49Å; P34-S37 PolarHBondContact O-N 3.35Å; C35-S37 VanDerWaalsContact C-N 3.33Å; S37-L39 PolarHBondContact O-N 3.07Å; S37-Y40 WeakPolarHBondContact O-CB 3.16Å; S37-Y40 PolarHBondContact O-N 3.14Å
38	Q	92.7	Very high	91.4	Very high	141 Å²	141	85 Å²	85	66%	0.659	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.5	175.2	-68.6	167.4	20.6	0	0	114.3	P34 C35 I36 N42	P34-Q38 WeakPolarHBondContact O-CG 3.47Å; P34-Q38 PolarHBondContact O-N 2.82Å; P34-Q38 VanDerWaalsContact O-N 3.15Å; C35-Q38 PolarHBondContact O-N 3.05Å; I36-Q38 PolarHBondContact O-N 3.27Å; Q38-N42 PolarHBondContact O-ND2 3.2Å
39	L	93.7	Very high	91.7	Very high	42 Å²	42	81.7 Å²	81.7	22%	0.22	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.9	173.7	-59.1	176.5	0	0	0	112.9	I36 S37 R41 N42 F45 H60 I63 Y105	I36-L39 WeakPolarHBondContact O-CB 3.34Å; I36-L39 PolarHBondContact O-N 3.31Å; S37-L39 PolarHBondContact O-N 3.07Å; L39-R41 PolarHBondContact O-N 2.78Å; L39-N42 WeakPolarHBondContact O-CB 3.41Å; L39-N42 PolarHBondContact O-N 2.91Å; L39-N42 VanDerWaalsContact O-N 3.1Å; L39-F45 HydrophobicContact CD2-CD2 3.86Å; L39-H60 PolarHBondContact O-CE1 2.92Å; L39-I63 HydrophobicContact CB-CD1 4.4Å; L39-I63 HydrophobicContact CD1-CD1 3.84Å; L39-Y105 HydrophobicContact CB-CD1 4.07Å; L39-Y105 HydrophobicContact CB-CE1 3.76Å; L39-Y105 WeakPolarHBondContact O-CE1 3.49Å
40	Y	93.1	Very high	92	Very high	49 Å²	49	78.7 Å²	78.7	19%	0.192	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	119.5	177.5	171.5	-112.6	0	0	0	110.8	S37 N42 K98 L101 N102 Y105	S37-Y40 WeakPolarHBondContact O-CB 3.16Å; S37-Y40 PolarHBondContact O-N 3.14Å; Y40-N42 PolarHBondContact O-N 3.13Å; Y40-K98 WeakPolarHBondContact OH-CG 3.34Å; Y40-L101 HydrophobicContact CD2-CG 4.2Å; Y40-L101 HydrophobicContact CE2-CB 4.18Å; Y40-L101 HydrophobicContact CE2-CD2 4.02Å; Y40-L101 HydrophobicContact CE2-CG 3.87Å; Y40-N102 HydrophobicContact CE1-CB 4.48Å; Y40-N102 HydrophobicContact CE2-CB 3.99Å; Y40-Y105 HydrophobicContact CD2-CD2 4.33Å; Y40-Y105 HydrophobicContact CD2-CG 4.45Å
41	R	87.5	Confident	92.3	Very high	128 Å²	128	71.1 Å²	71.1	48%	0.483	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	18.9	-172.5	-55.7	-178.9	69.6	-147.4	1	115.2	L39 E43 P58	L39-R41 PolarHBondContact O-N 2.78Å; R41-E43 PolarHBondContact O-N 3.49Å; R41-P58 HydrophobicContact CB-CG 4.43Å
42	N	90.6	Very high	92.6	Very high	47 Å²	47	65.5 Å²	65.5	25%	0.251	34%	0.339	S	S	.	.			trans	-84.4	108.6	-179.9	-168.3	-29.4	0	0	0	111.1	Q38 L39 Y40 T44 S46	Q38-N42 PolarHBondContact O-ND2 3.2Å; L39-N42 WeakPolarHBondContact O-CB 3.41Å; L39-N42 PolarHBondContact O-N 2.91Å; L39-N42 VanDerWaalsContact O-N 3.1Å; Y40-N42 PolarHBondContact O-N 3.13Å; N42-T44 VanDerWaalsContact C-N 3.31Å; N42-T44 PolarHBondContact O-N 3.13Å; N42-T44 VanDerWaalsContact OD1-CB 3.27Å; N42-T44 WeakPolarHBondContact OD1-CB 3.43Å; N42-T44 PolarHBondContact OD1-N 3.12Å; N42-T44 PolarHBondContact OD1-OG1 3.31Å; N42-S46 PolarHBondContact O-OG 3.48Å
43	E	92.2	Very high	92.7	Very high	152 Å²	152	66.7 Å²	66.7	71%	0.71	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.1	-31.9	-177.1	-65.7	-168.8	163.1	0	0	113.4	R41 F45 S46 P58	R41-E43 PolarHBondContact O-N 3.49Å; E43-F45 PolarHBondContact O-N 2.66Å; E43-S46 PolarHBondContact O-N 3.14Å; E43-P58 HydrophobicContact CG-CB 3.75Å; E43-P58 HydrophobicContact CG-CG 3.6Å
44	T	91.5	Very high	92.7	Very high	110 Å²	110	67.4 Å²	67.4	68%	0.675	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-53.1	-30.2	-173.4	-37.1	0	0	0	0	114.4	N42	N42-T44 VanDerWaalsContact C-N 3.31Å; N42-T44 PolarHBondContact O-N 3.13Å; N42-T44 VanDerWaalsContact OD1-CB 3.27Å; N42-T44 WeakPolarHBondContact OD1-CB 3.43Å; N42-T44 PolarHBondContact OD1-N 3.12Å; N42-T44 PolarHBondContact OD1-OG1 3.31Å
45	F	90.5	Very high	92.9	Very high	135 Å²	135	67 Å²	67	59%	0.592	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-127.1	7.2	-175	-53.7	-66.1	0	0	0	113.4	L39 E43 H60	L39-F45 HydrophobicContact CD2-CD2 3.86Å; E43-F45 PolarHBondContact O-N 2.66Å; F45-H60 PolarHBondContact O-CD2 3.05Å; F45-H60 PolarHBondContact O-NE2 3.36Å
46	S	94.5	Very high	93.1	Very high	31 Å²	31	70.8 Å²	70.8	22%	0.217	35%	0.346	C	S	.	.			trans	-78.4	128.3	-177.9	-72.4	0	0	0	0	111.9	N42 E43 A59 H60	N42-S46 PolarHBondContact O-OG 3.48Å; E43-S46 PolarHBondContact O-N 3.14Å; S46-A59 WeakPolarHBondContact CA-O 3.35Å; S46-A59 VanDerWaalsContact CB-O 3.24Å; S46-A59 WeakPolarHBondContact CB-O 3.46Å; S46-A59 PolarHBondContact OG-N 2.88Å; S46-A59 PolarHBondContact OG-O 3.13Å; S46-H60 PolarHBondContact OG-CE1 3.4Å; S46-H60 VanDerWaalsContact OG-CE1 3.24Å; S46-H60 PolarHBondContact OG-ND1 3.45Å
47	D	94.5	Very high	93.3	Very high	77 Å²	77	68 Å²	68	41%	0.412	33%	0.332	S	S	.	.	S	Bend	trans	-105.9	3.6	179	65.9	-10.4	0	0	0	113.2	A59 H60 R61	D47-A59 PolarHBondContact N-O 3.09Å; D47-H60 VanDerWaalsContact OD1-CA 3.24Å; D47-H60 WeakPolarHBondContact OD1-CA 3.46Å; D47-R61 PolarHBondContact O-NE 2.94Å; D47-R61 WeakPolarHBondContact OD1-CG 3.45Å; D47-R61 PolarHBondContact OD1-N 2.88Å; D47-R61 WeakPolarHBondContact OD2-CB 3.36Å; D47-R61 WeakPolarHBondContact OD2-CD 3.35Å
48	V	95.2	Very high	93.5	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147	170.4	65.5	0	0	0	0	111.7	L50 A59 R61 L64 F75 V87	V48-L50 HydrophobicContact CG1-CD2 4.34Å; V48-L50 HydrophobicContact CG2-CD2 3.87Å; V48-A59 HydrophobicContact CG1-CB 4.26Å; V48-A59 PolarHBondContact N-O 3.12Å; V48-A59 PolarHBondContact O-N 3.43Å; V48-R61 HydrophobicContact CB-CG 3.86Å; V48-R61 HydrophobicContact CG1-CG 3.74Å; V48-L64 HydrophobicContact CG1-CD1 4.01Å; V48-F75 HydrophobicContact CG1-CE1 4.45Å; V48-F75 HydrophobicContact CG1-CZ 4.15Å; V48-F75 HydrophobicContact CG2-CE1 3.97Å; V48-F75 HydrophobicContact CG2-CZ 4.31Å; V48-V87 HydrophobicContact CG2-CG2 4.13Å
49	V	96	Very high	93.7	Very high	33 Å²	33	60.1 Å²	60.1	20%	0.2	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.7	167.9	-179.1	0	0	0	0	109.1	V51 R56 S85 V86 V87	V49-V51 HydrophobicContact CG1-CG2 4.36Å; V49-R56 HydrophobicContact CG1-CB 3.95Å; V49-R56 HydrophobicContact CG1-CG 4.47Å; V49-S85 PolarHBondContact N-O 3.22Å; V49-V86 WeakPolarHBondContact O-CA 3.28Å; V49-V87 PolarHBondContact O-N 2.87Å
50	L	95.3	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.7	174.3	-49.3	-179.4	0	0	0	109	V48 F57 A59 L64 F71 F75 V87 L89 F97	V48-L50 HydrophobicContact CG1-CD2 4.34Å; V48-L50 HydrophobicContact CG2-CD2 3.87Å; L50-F57 HydrophobicContact CB-CB 4.29Å; L50-F57 PolarHBondContact N-O 3.47Å; L50-F57 PolarHBondContact O-N 3.23Å; L50-A59 HydrophobicContact CD1-CB 4.32Å; L50-A59 HydrophobicContact CG-CB 4.43Å; L50-L64 HydrophobicContact CD1-CD1 3.96Å; L50-L64 HydrophobicContact CD1-CD2 4.42Å; L50-F71 HydrophobicContact CD1-CE1 4.17Å; L50-F71 HydrophobicContact CD1-CZ 4.39Å; L50-F75 HydrophobicContact CD2-CZ 4.12Å; L50-V87 CarbonylContact C-O 3.56Å; L50-V87 WeakPolarHBondContact CA-O 3.36Å; L50-V87 HydrophobicContact CD2-CB 3.91Å; L50-V87 HydrophobicContact CD2-CG1 4.46Å; L50-L89 HydrophobicContact CB-CD1 4.15Å; L50-L89 HydrophobicContact CD1-CD1 4.35Å; L50-F97 HydrophobicContact CB-CE1 4.4Å; L50-F97 HydrophobicContact CB-CZ 4.37Å; L50-F97 HydrophobicContact CD1-CE1 4.29Å; L50-F97 HydrophobicContact CD1-CZ 3.7Å
51	V	95.3	Very high	93.9	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.5	-177.1	-173.9	0	0	0	0	109.5	V49 T55 R56 V86 V87 Y88 L89	V49-V51 HydrophobicContact CG1-CG2 4.36Å; V51-T55 WeakPolarHBondContact CA-O 3.34Å; V51-R56 HydrophobicContact CG2-CG 4.44Å; V51-V86 HydrophobicContact CG2-CG1 3.64Å; V51-V87 PolarHBondContact N-O 3.2Å; V51-Y88 HydrophobicContact CB-CD1 3.8Å; V51-Y88 HydrophobicContact CB-CE1 3.99Å; V51-Y88 HydrophobicContact CB-CG 4.37Å; V51-Y88 HydrophobicContact CG1-CD1 3.87Å; V51-Y88 HydrophobicContact CG1-CE1 3.84Å; V51-Y88 HydrophobicContact CG2-CD1 4.42Å; V51-Y88 HydrophobicContact CG2-CE1 4.22Å; V51-L89 PolarHBondContact O-N 3.49Å
52	V	94.7	Very high	94.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.5	179.3	174.1	0	0	0	0	108	N54 T55 F57 L89 I92 V94 F97	V52-N54 VanDerWaalsContact C-N 3.31Å; V52-N54 PolarHBondContact O-N 3.24Å; V52-T55 PolarHBondContact N-O 3.06Å; V52-T55 WeakPolarHBondContact O-CA 3.43Å; V52-T55 VanDerWaalsContact O-CB 3.31Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.19Å; V52-F57 HydrophobicContact CB-CE2 4.15Å; V52-L89 HydrophobicContact CG2-CB 3.64Å; V52-L89 HydrophobicContact CG2-CD1 4.16Å; V52-I92 HydrophobicContact CG1-CB 4.17Å; V52-I92 HydrophobicContact CG1-CG2 3.88Å; V52-I92 WeakPolarHBondContact CG1-O 3.45Å; V52-I92 HydrophobicContact CG2-CG2 4.41Å; V52-V94 HydrophobicContact CG1-CB 4.03Å; V52-V94 HydrophobicContact CG1-CG2 4.37Å; V52-F97 HydrophobicContact CG1-CB 4.42Å; V52-F97 HydrophobicContact CG2-CB 4.36Å; V52-F97 HydrophobicContact CG2-CD1 3.74Å; V52-F97 HydrophobicContact CG2-CD2 4.23Å; V52-F97 HydrophobicContact CG2-CE1 4.09Å; V52-F97 HydrophobicContact CG2-CG 3.82Å; V52-F97 HydrophobicContact CG2-CZ 4.49Å
53	Q	91.1	Very high	94.4	Very high	118 Å²	118	54.3 Å²	54.3	55%	0.551	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	53.5	-179.7	-54.4	-174.4	-72.3	0	0	111.9	T55 I92 V94	Q53-T55 PolarHBondContact O-N 3.35Å; Q53-I92 VanDerWaalsContact CD-O 3.26Å; Q53-I92 WeakPolarHBondContact CG-O 3.26Å; Q53-I92 PolarHBondContact OE1-O 3.18Å; Q53-V94 HydrophobicContact CB-CB 4.44Å
54	N	90.5	Very high	94.6	Very high	102 Å²	102	47 Å²	47	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-10	-173.1	-57.9	-16.9	0	0	0	116.7	V52	V52-N54 VanDerWaalsContact C-N 3.31Å; V52-N54 PolarHBondContact O-N 3.24Å
55	T	95.1	Very high	94.8	Very high	58 Å²	58	42.3 Å²	42.3	36%	0.356	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.5	177.5	-56.2	0	0	0	0	110.6	V51 V52 Q53 F57 V94	V51-T55 WeakPolarHBondContact CA-O 3.34Å; V52-T55 PolarHBondContact N-O 3.06Å; V52-T55 WeakPolarHBondContact O-CA 3.43Å; V52-T55 VanDerWaalsContact O-CB 3.31Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.19Å; Q53-T55 PolarHBondContact O-N 3.35Å; T55-F57 HydrophobicContact CG2-CD2 4.31Å; T55-F57 HydrophobicContact CG2-CE1 4.47Å; T55-F57 HydrophobicContact CG2-CE2 3.56Å; T55-F57 HydrophobicContact CG2-CZ 3.66Å; T55-V94 HydrophobicContact CG2-CG2 4.03Å
56	R	95.7	Very high	95	Very high	155 Å²	155	39.7 Å²	39.7	59%	0.585	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.6	-177.1	-57.8	178.9	73.3	133.7	1.3	111.1	V49 V51	V49-R56 HydrophobicContact CG1-CB 3.95Å; V49-R56 HydrophobicContact CG1-CG 4.47Å; V51-R56 HydrophobicContact CG2-CG 4.44Å
57	F	96.5	Very high	95	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	96.8	179.2	-65.3	-88.5	0	0	0	109.7	L50 V52 T55 A59 V94 F97 K98 L101	L50-F57 HydrophobicContact CB-CB 4.29Å; L50-F57 PolarHBondContact N-O 3.47Å; L50-F57 PolarHBondContact O-N 3.23Å; V52-F57 HydrophobicContact CB-CE2 4.15Å; T55-F57 HydrophobicContact CG2-CD2 4.31Å; T55-F57 HydrophobicContact CG2-CE1 4.47Å; T55-F57 HydrophobicContact CG2-CE2 3.56Å; T55-F57 HydrophobicContact CG2-CZ 3.66Å; F57-A59 PolarHBondContact O-N 3.02Å; F57-V94 HydrophobicContact CE2-CG2 3.89Å; F57-V94 HydrophobicContact CZ-CG2 3.74Å; F57-F97 HydrophobicContact CB-CE1 4.38Å; F57-F97 HydrophobicContact CD2-CD1 4Å; F57-F97 HydrophobicContact CD2-CE1 4.05Å; F57-F97 AromaticContact CE2-CD1 3.99Å; F57-F97 HydrophobicContact CE2-CD1 3.99Å; F57-F97 HydrophobicContact CG-CD1 4.28Å; F57-F97 HydrophobicContact CG-CE1 4.1Å; F57-F97 HydrophobicContact CZ-CD1 4.26Å; F57-K98 HydrophobicContact CE1-CB 4.15Å; F57-K98 HydrophobicContact CE1-CG 4.41Å; F57-K98 HydrophobicContact CZ-CB 4.44Å; F57-L101 HydrophobicContact CB-CD2 3.83Å; F57-L101 HydrophobicContact CD1-CD2 3.69Å; F57-L101 HydrophobicContact CG-CD2 4.06Å
58	P	96.6	Very high	95	Very high	8 Å²	8	40 Å²	40	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.4	170.4	26.8	-33	0	0	0	109.6	R41 E43	R41-P58 HydrophobicContact CB-CG 4.43Å; E43-P58 HydrophobicContact CG-CB 3.75Å; E43-P58 HydrophobicContact CG-CG 3.6Å
59	A	96.7	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	174.5	-172.3	0	0	0	0	0	111.9	S46 D47 V48 L50 F57 L64 L101 Y105	S46-A59 WeakPolarHBondContact CA-O 3.35Å; S46-A59 VanDerWaalsContact CB-O 3.24Å; S46-A59 WeakPolarHBondContact CB-O 3.46Å; S46-A59 PolarHBondContact OG-N 2.88Å; S46-A59 PolarHBondContact OG-O 3.13Å; D47-A59 PolarHBondContact N-O 3.09Å; V48-A59 HydrophobicContact CG1-CB 4.26Å; V48-A59 PolarHBondContact N-O 3.12Å; V48-A59 PolarHBondContact O-N 3.43Å; L50-A59 HydrophobicContact CD1-CB 4.32Å; L50-A59 HydrophobicContact CG-CB 4.43Å; F57-A59 PolarHBondContact O-N 3.02Å; A59-L64 HydrophobicContact CB-CD1 3.89Å; A59-L101 HydrophobicContact CB-CD1 4.38Å; A59-Y105 WeakPolarHBondContact CA-OH 3.41Å
60	H	96.2	Very high	94.7	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.079	23%	0.232	C	C	.	.			trans	-123.2	112.2	-170	-57	47.7	0	0	0	109.6	L39 F45 S46 D47 A62 I63 L64 Y105	L39-H60 PolarHBondContact O-CE1 2.92Å; F45-H60 PolarHBondContact O-CD2 3.05Å; F45-H60 PolarHBondContact O-NE2 3.36Å; S46-H60 PolarHBondContact OG-CE1 3.4Å; S46-H60 VanDerWaalsContact OG-CE1 3.24Å; S46-H60 PolarHBondContact OG-ND1 3.45Å; D47-H60 VanDerWaalsContact OD1-CA 3.24Å; D47-H60 WeakPolarHBondContact OD1-CA 3.46Å; H60-A62 VanDerWaalsContact C-N 3.26Å; H60-A62 PolarHBondContact O-N 3.05Å; H60-I63 HydrophobicContact CB-CB 4.24Å; H60-I63 HydrophobicContact CB-CD1 3.91Å; H60-I63 HydrophobicContact CB-CG1 4.05Å; H60-I63 PolarHBondContact O-N 3.03Å; H60-L64 WeakPolarHBondContact O-CG 3.31Å; H60-L64 PolarHBondContact O-N 3.46Å; H60-Y105 WeakPolarHBondContact CB-OH 3.15Å; H60-Y105 PolarHBondContact N-OH 3.12Å; H60-Y105 PolarHBondContact ND1-OH 3.14Å
61	R	95	Very high	94.7	Very high	37 Å²	37	45.3 Å²	45.3	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-50.8	-43.9	-176.4	-66.8	166	162.1	-127.7	-4.6	112.1	D47 V48 I63 L64 A65 F75 E81 S82 S84	D47-R61 PolarHBondContact O-NE 2.94Å; D47-R61 WeakPolarHBondContact OD1-CG 3.45Å; D47-R61 PolarHBondContact OD1-N 2.88Å; D47-R61 WeakPolarHBondContact OD2-CB 3.36Å; D47-R61 WeakPolarHBondContact OD2-CD 3.35Å; V48-R61 HydrophobicContact CB-CG 3.86Å; V48-R61 HydrophobicContact CG1-CG 3.74Å; R61-I63 PolarHBondContact O-N 2.83Å; R61-L64 PolarHBondContact O-N 2.86Å; R61-A65 VanDerWaalsContact O-CB 3.24Å; R61-A65 WeakPolarHBondContact O-CB 3.49Å; R61-A65 PolarHBondContact O-N 2.95Å; R61-F75 HydrophobicContact CB-CB 4.37Å; R61-F75 HydrophobicContact CB-CD2 3.98Å; R61-F75 HydrophobicContact CB-CE2 4.49Å; R61-F75 HydrophobicContact CB-CG 4.09Å; R61-F75 HydrophobicContact CG-CB 4.42Å; R61-F75 HydrophobicContact CG-CD1 3.98Å; R61-F75 HydrophobicContact CG-CD2 4.1Å; R61-F75 HydrophobicContact CG-CE1 4.28Å; R61-F75 HydrophobicContact CG-CE2 4.4Å; R61-F75 HydrophobicContact CG-CG 3.9Å; R61-F75 HydrophobicContact CG-CZ 4.49Å; R61-E81 PolarHBondContact NH2-O 2.93Å; R61-S82 PolarHBondContact NH1-O 2.89Å; R61-S82 PolarHBondContact NH2-O 3.42Å; R61-S82 VanDerWaalsContact NH2-O 3.13Å; R61-S84 PolarHBondContact NH2-O 2.97Å
62	A	94.5	Very high	94.6	Very high	59 Å²	59	50.7 Å²	50.7	49%	0.488	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-41.8	178.7	0	0	0	0	0	113	H60 A66	H60-A62 VanDerWaalsContact C-N 3.26Å; H60-A62 PolarHBondContact O-N 3.05Å; A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 3.34Å
63	I	95.6	Very high	94.5	Very high	30 Å²	30	53.3 Å²	53.3	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-71.5	-44.4	179.1	-61.1	176.6	0	0	0	110	I36 L39 H60 R61 A65 A66 R67 I104 Y105	I36-I63 HydrophobicContact CG2-CD1 4.27Å; L39-I63 HydrophobicContact CB-CD1 4.4Å; L39-I63 HydrophobicContact CD1-CD1 3.84Å; H60-I63 HydrophobicContact CB-CB 4.24Å; H60-I63 HydrophobicContact CB-CD1 3.91Å; H60-I63 HydrophobicContact CB-CG1 4.05Å; H60-I63 PolarHBondContact O-N 3.03Å; R61-I63 PolarHBondContact O-N 2.83Å; I63-A65 PolarHBondContact O-N 3.37Å; I63-A66 PolarHBondContact O-N 2.74Å; I63-R67 WeakPolarHBondContact O-CB 3.29Å; I63-R67 VanDerWaalsContact O-CG 3.24Å; I63-R67 WeakPolarHBondContact O-CG 3.41Å; I63-R67 PolarHBondContact O-N 3.07Å; I63-I104 HydrophobicContact CG2-CG2 3.94Å; I63-Y105 HydrophobicContact CD1-CD1 4.14Å; I63-Y105 HydrophobicContact CD1-CE1 3.57Å; I63-Y105 HydrophobicContact CG2-CD1 4.35Å; I63-Y105 HydrophobicContact CG2-CD2 4.31Å; I63-Y105 HydrophobicContact CG2-CE1 4.22Å; I63-Y105 HydrophobicContact CG2-CE2 4.18Å; I63-Y105 HydrophobicContact CG2-CG 4.4Å
64	L	95.8	Very high	94.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-49.1	177.3	-66	167.2	0	0	0	111.2	V48 L50 A59 H60 R61 R67 S68 F71 F75 L101 I104	V48-L64 HydrophobicContact CG1-CD1 4.01Å; L50-L64 HydrophobicContact CD1-CD1 3.96Å; L50-L64 HydrophobicContact CD1-CD2 4.42Å; A59-L64 HydrophobicContact CB-CD1 3.89Å; H60-L64 WeakPolarHBondContact O-CG 3.31Å; H60-L64 PolarHBondContact O-N 3.46Å; R61-L64 PolarHBondContact O-N 2.86Å; L64-R67 PolarHBondContact O-N 3.24Å; L64-S68 PolarHBondContact O-N 3.48Å; L64-F71 HydrophobicContact CB-CB 3.75Å; L64-F71 HydrophobicContact CB-CD1 4.46Å; L64-F71 HydrophobicContact CB-CD2 4.28Å; L64-F71 HydrophobicContact CB-CG 3.91Å; L64-F71 HydrophobicContact CD2-CD2 4.25Å; L64-F71 HydrophobicContact CD2-CE2 4.36Å; L64-F71 HydrophobicContact CD2-CG 4.47Å; L64-F75 HydrophobicContact CB-CD2 4.47Å; L64-F75 HydrophobicContact CB-CE2 3.84Å; L64-F75 HydrophobicContact CD1-CE2 3.52Å; L64-F75 HydrophobicContact CD1-CZ 3.84Å; L64-F75 HydrophobicContact CG-CE2 4.34Å; L64-L101 HydrophobicContact CD2-CD1 3.79Å; L64-I104 HydrophobicContact CD2-CD1 3.88Å; L64-I104 HydrophobicContact CD2-CG2 4.34Å
65	A	94.8	Very high	94.6	Very high	11 Å²	11	43.8 Å²	43.8	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-30.4	180	0	0	0	0	0	114.3	R61 I63 R67 R72 Y76	R61-A65 VanDerWaalsContact O-CB 3.24Å; R61-A65 WeakPolarHBondContact O-CB 3.49Å; R61-A65 PolarHBondContact O-N 2.95Å; I63-A65 PolarHBondContact O-N 3.37Å; A65-R67 PolarHBondContact O-N 3.18Å; A65-R72 HydrophobicContact CB-CB 3.98Å; A65-R72 HydrophobicContact CB-CG 4.27Å; A65-Y76 HydrophobicContact CB-CD2 3.83Å; A65-Y76 HydrophobicContact CB-CE2 3.54Å
66	A	94.9	Very high	94.5	Very high	80 Å²	80	47.5 Å²	47.5	66%	0.661	23%	0.234	S	C	*	.	H	α-helix	trans	-73	-13.6	173.8	0	0	0	0	0	113.3	A62 I63	A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 3.34Å; I63-A66 PolarHBondContact O-N 2.74Å
67	R	94.1	Very high	94	Very high	110 Å²	110	42.8 Å²	42.8	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-114.5	-21.6	-177.2	-61.6	-65.5	-65.8	127.3	3.7	113.7	I63 L64 A65 I104 F129	I63-R67 WeakPolarHBondContact O-CB 3.29Å; I63-R67 VanDerWaalsContact O-CG 3.24Å; I63-R67 WeakPolarHBondContact O-CG 3.41Å; I63-R67 PolarHBondContact O-N 3.07Å; L64-R67 PolarHBondContact O-N 3.24Å; A65-R67 PolarHBondContact O-N 3.18Å; R67-I104 HydrophobicContact CB-CG2 3.99Å; R67-I104 HydrophobicContact CG-CG2 4.07Å; R67-F129 HydrophobicContact CB-CE1 4.48Å; R67-F129 WeakPolarHBondContact O-CE1 3.36Å
68	S	94.8	Very high	93.3	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	27%	0.265	C	S	.	.			trans	-140.3	130.7	-178.6	173.6	0	0	0	0	112.6	L64 Y70 F71 R72 Y127	L64-S68 PolarHBondContact O-N 3.48Å; S68-Y70 VanDerWaalsContact C-N 3.3Å; S68-Y70 PolarHBondContact O-N 3.04Å; S68-Y70 PolarHBondContact OG-N 2.95Å; S68-F71 PolarHBondContact O-N 3.37Å; S68-R72 WeakPolarHBondContact O-CB 3.1Å; S68-R72 PolarHBondContact O-N 3.5Å; S68-Y127 PolarHBondContact OG-O 3.4Å
69	E	92.6	Very high	92.4	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-33.7	173.8	-71.4	-61.1	155.9	0	0	113.3	R72 A73 N128	E69-R72 WeakPolarHBondContact O-CB 3.47Å; E69-R72 PolarHBondContact O-N 3.09Å; E69-R72 IonicContact OE1-CZ 3.16Å; E69-R72 IonicContact OE1-NE 2.83Å; E69-R72 PolarHBondContact OE1-NE 2.77Å; E69-R72 IonicContact OE1-NH2 2.7Å; E69-R72 PolarHBondContact OE1-NH2 2.97Å; E69-R72 IonicContact OE2-CZ 2.66Å; E69-R72 IonicContact OE2-NE 2.96Å; E69-R72 PolarHBondContact OE2-NE 2.96Å; E69-R72 IonicContact OE2-NH2 3.34Å; E69-R72 PolarHBondContact OE2-NH2 2.99Å; E69-A73 PolarHBondContact O-N 3.36Å; E69-N128 HydrophobicContact CB-CB 4.43Å
70	Y	93.3	Very high	91.4	Very high	74 Å²	74	53.9 Å²	53.9	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-51.1	176.3	171.5	-92.5	0	0	0	110.9	S68 R72 A73 L74 Y127	S68-Y70 VanDerWaalsContact C-N 3.3Å; S68-Y70 PolarHBondContact O-N 3.04Å; S68-Y70 PolarHBondContact OG-N 2.95Å; Y70-R72 VanDerWaalsContact C-N 3.29Å; Y70-R72 PolarHBondContact O-N 3.06Å; Y70-A73 PolarHBondContact O-N 3.49Å; Y70-L74 HydrophobicContact CE1-CD2 4Å; Y70-L74 WeakPolarHBondContact O-CB 3.33Å; Y70-L74 PolarHBondContact O-N 2.9Å; Y70-Y127 AromaticContact CD1-CD1 3.29Å; Y70-Y127 HydrophobicContact CD1-CD1 3.29Å; Y70-Y127 AromaticContact CD1-CE1 3.55Å; Y70-Y127 HydrophobicContact CD1-CE1 3.55Å; Y70-Y127 HydrophobicContact CD1-CG 4.27Å; Y70-Y127 HydrophobicContact CD2-CD1 4.18Å; Y70-Y127 AromaticContact CE1-CD1 3.7Å; Y70-Y127 HydrophobicContact CE1-CD1 3.7Å; Y70-Y127 AromaticContact CE1-CE1 3.42Å; Y70-Y127 HydrophobicContact CE1-CE1 3.42Å; Y70-Y127 VanDerWaalsContact CE1-CE1 3.42Å; Y70-Y127 HydrophobicContact CE2-CE1 4.5Å; Y70-Y127 AromaticContact CG-CD1 3.57Å; Y70-Y127 HydrophobicContact CG-CD1 3.57Å; Y70-Y127 HydrophobicContact CG-CE1 4.16Å; Y70-Y127 AromaticContact CZ-CE1 3.95Å
71	F	94.2	Very high	90.6	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-29.3	177.5	-72.2	-63.6	0	0	0	112.5	L50 L64 S68 L74 F75 L89 F97 I104 Y127	L50-F71 HydrophobicContact CD1-CE1 4.17Å; L50-F71 HydrophobicContact CD1-CZ 4.39Å; L64-F71 HydrophobicContact CB-CB 3.75Å; L64-F71 HydrophobicContact CB-CD1 4.46Å; L64-F71 HydrophobicContact CB-CD2 4.28Å; L64-F71 HydrophobicContact CB-CG 3.91Å; L64-F71 HydrophobicContact CD2-CD2 4.25Å; L64-F71 HydrophobicContact CD2-CE2 4.36Å; L64-F71 HydrophobicContact CD2-CG 4.47Å; S68-F71 PolarHBondContact O-N 3.37Å; F71-L74 HydrophobicContact CD1-CD2 3.99Å; F71-L74 HydrophobicContact CE1-CD2 4.24Å; F71-L74 PolarHBondContact O-N 3.29Å; F71-F75 HydrophobicContact CB-CD2 4.15Å; F71-F75 HydrophobicContact CB-CE2 3.84Å; F71-F75 AromaticContact CD1-CE2 3.63Å; F71-F75 HydrophobicContact CD1-CE2 3.63Å; F71-F75 AromaticContact CD1-CZ 3.87Å; F71-F75 HydrophobicContact CD1-CZ 3.87Å; F71-F75 HydrophobicContact CG-CE2 4.11Å; F71-F75 WeakPolarHBondContact O-CD2 3.35Å; F71-F75 PolarHBondContact O-N 2.85Å; F71-L89 HydrophobicContact CE1-CD1 4.5Å; F71-F97 HydrophobicContact CZ-CE2 4.28Å; F71-I104 HydrophobicContact CE2-CD1 4.3Å; F71-Y127 HydrophobicContact CE2-CD1 4.36Å; F71-Y127 HydrophobicContact CE2-CD2 4.12Å; F71-Y127 HydrophobicContact CE2-CE1 4.46Å; F71-Y127 HydrophobicContact CE2-CE2 4.22Å; F71-Y127 HydrophobicContact CE2-CG 4.18Å; F71-Y127 HydrophobicContact CZ-CE1 4.23Å; F71-Y127 HydrophobicContact CZ-CE2 4.25Å
72	R	94.1	Very high	89.8	Confident	123 Å²	123	56 Å²	56	46%	0.464	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-47.3	171.2	-167.7	166.7	76.1	139.4	-2.6	111.7	A65 S68 E69 Y70 Y76	A65-R72 HydrophobicContact CB-CB 3.98Å; A65-R72 HydrophobicContact CB-CG 4.27Å; S68-R72 WeakPolarHBondContact O-CB 3.1Å; S68-R72 PolarHBondContact O-N 3.5Å; E69-R72 WeakPolarHBondContact O-CB 3.47Å; E69-R72 PolarHBondContact O-N 3.09Å; E69-R72 IonicContact OE1-CZ 3.16Å; E69-R72 IonicContact OE1-NE 2.83Å; E69-R72 PolarHBondContact OE1-NE 2.77Å; E69-R72 IonicContact OE1-NH2 2.7Å; E69-R72 PolarHBondContact OE1-NH2 2.97Å; E69-R72 IonicContact OE2-CZ 2.66Å; E69-R72 IonicContact OE2-NE 2.96Å; E69-R72 PolarHBondContact OE2-NE 2.96Å; E69-R72 IonicContact OE2-NH2 3.34Å; E69-R72 PolarHBondContact OE2-NH2 2.99Å; Y70-R72 VanDerWaalsContact C-N 3.29Å; Y70-R72 PolarHBondContact O-N 3.06Å; R72-Y76 WeakPolarHBondContact O-CB 3.24Å; R72-Y76 PolarHBondContact O-N 3.08Å
73	A	92.1	Very high	89.1	Confident	56 Å²	56	58.2 Å²	58.2	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-39.6	174.8	0	0	0	0	0	112.4	E69 Y70 G77	E69-A73 PolarHBondContact O-N 3.36Å; Y70-A73 PolarHBondContact O-N 3.49Å; A73-G77 WeakPolarHBondContact O-CA 3.24Å; A73-G77 PolarHBondContact O-N 3.3Å
74	L	91.7	Very high	88.7	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.084	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-46.3	-178.6	-165.4	64.9	0	0	0	113	Y70 F71 E81 S82 V87	Y70-L74 HydrophobicContact CE1-CD2 4Å; Y70-L74 WeakPolarHBondContact O-CB 3.33Å; Y70-L74 PolarHBondContact O-N 2.9Å; F71-L74 HydrophobicContact CD1-CD2 3.99Å; F71-L74 HydrophobicContact CE1-CD2 4.24Å; F71-L74 PolarHBondContact O-N 3.29Å; L74-E81 HydrophobicContact CD1-CB 3.78Å; L74-E81 HydrophobicContact CD1-CG 3.85Å; L74-E81 HydrophobicContact CG-CB 4.03Å; L74-S82 PolarHBondContact O-N 3.34Å; L74-S82 PolarHBondContact O-OG 2.78Å; L74-V87 HydrophobicContact CD2-CG1 4.09Å
75	F	93	Very high	88.4	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.018	38%	0.378	C	S	.	.	H	α-helix	trans	-90.1	-22.4	-175.5	-57.8	-49.5	0	0	0	114.8	V48 L50 R61 L64 F71 S82 V87	V48-F75 HydrophobicContact CG1-CE1 4.45Å; V48-F75 HydrophobicContact CG1-CZ 4.15Å; V48-F75 HydrophobicContact CG2-CE1 3.97Å; V48-F75 HydrophobicContact CG2-CZ 4.31Å; L50-F75 HydrophobicContact CD2-CZ 4.12Å; R61-F75 HydrophobicContact CB-CB 4.37Å; R61-F75 HydrophobicContact CB-CD2 3.98Å; R61-F75 HydrophobicContact CB-CE2 4.49Å; R61-F75 HydrophobicContact CB-CG 4.09Å; R61-F75 HydrophobicContact CG-CB 4.42Å; R61-F75 HydrophobicContact CG-CD1 3.98Å; R61-F75 HydrophobicContact CG-CD2 4.1Å; R61-F75 HydrophobicContact CG-CE1 4.28Å; R61-F75 HydrophobicContact CG-CE2 4.4Å; R61-F75 HydrophobicContact CG-CG 3.9Å; R61-F75 HydrophobicContact CG-CZ 4.49Å; L64-F75 HydrophobicContact CB-CD2 4.47Å; L64-F75 HydrophobicContact CB-CE2 3.84Å; L64-F75 HydrophobicContact CD1-CE2 3.52Å; L64-F75 HydrophobicContact CD1-CZ 3.84Å; L64-F75 HydrophobicContact CG-CE2 4.34Å; F71-F75 HydrophobicContact CB-CD2 4.15Å; F71-F75 HydrophobicContact CB-CE2 3.84Å; F71-F75 AromaticContact CD1-CE2 3.63Å; F71-F75 HydrophobicContact CD1-CE2 3.63Å; F71-F75 AromaticContact CD1-CZ 3.87Å; F71-F75 HydrophobicContact CD1-CZ 3.87Å; F71-F75 HydrophobicContact CG-CE2 4.11Å; F71-F75 WeakPolarHBondContact O-CD2 3.35Å; F71-F75 PolarHBondContact O-N 2.85Å; F75-S82 VanDerWaalsContact O-CB 3.29Å; F75-S82 WeakPolarHBondContact O-CB 3.24Å; F75-S82 PolarHBondContact O-OG 2.7Å; F75-V87 HydrophobicContact CE1-CG2 4.16Å
76	Y	91.5	Very high	88.4	Confident	135 Å²	135	63.8 Å²	63.8	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-129.2	1.8	-173.7	-55.6	-80.4	0	0	0	114.2	A65 R72	A65-Y76 HydrophobicContact CB-CD2 3.83Å; A65-Y76 HydrophobicContact CB-CE2 3.54Å; R72-Y76 WeakPolarHBondContact O-CB 3.24Å; R72-Y76 PolarHBondContact O-N 3.08Å
77	G	86.1	Confident	88.3	Confident	56 Å²	56	60.3 Å²	60.3	58%	0.577	35%	0.354	S	S	*	.	S	Bend	trans	-83.2	-6.2	176.4	0	0	0	0	0	115.2	A73	A73-G77 WeakPolarHBondContact O-CA 3.24Å; A73-G77 PolarHBondContact O-N 3.3Å
78	G	80.7	Confident	88.2	Confident	67 Å²	67	62.6 Å²	62.6	69%	0.691	36%	0.364	S	S	*	.	S	Bend	trans	86.5	19.9	176.3	0	0	0	0	0	115.2	S82	G78-S82 PolarHBondContact N-OG 3Å
79	L	78.5	Confident	88.1	Confident	106 Å²	106	62.7 Å²	62.7	56%	0.555	36%	0.364	S	S	*	.	S	Bend	trans	-80.8	173.2	170.8	-60.2	174.9	0	0	0	110.9	E81 S82	L79-E81 VanDerWaalsContact CB-OE2 3.23Å; L79-E81 WeakPolarHBondContact CB-OE2 3.45Å; L79-E81 PolarHBondContact O-N 3.42Å; L79-S82 PolarHBondContact N-OG 2.89Å; L79-S82 WeakPolarHBondContact O-CB 3.41Å; L79-S82 PolarHBondContact O-N 3.38Å; L79-S82 PolarHBondContact O-OG 2.96Å
80	A	76.1	Confident	87.8	Confident	74 Å²	74	64.8 Å²	64.8	61%	0.612	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-59.3	-38	-177.7	0	0	0	0	0	112.1	S82 S83 S84	A80-S82 PolarHBondContact O-N 3.25Å; A80-S83 PolarHBondContact O-N 3.27Å; A80-S83 PolarHBondContact O-OG 3.41Å; A80-S84 PolarHBondContact O-N 3.28Å
81	E	78.4	Confident	87.5	Confident	73 Å²	73	69.5 Å²	69.5	34%	0.341	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-61.6	-27.7	177.8	-59.3	80.8	-178.5	0	0	112.3	R61 L74 L79 S83 S84 V87	R61-E81 PolarHBondContact NH2-O 2.93Å; L74-E81 HydrophobicContact CD1-CB 3.78Å; L74-E81 HydrophobicContact CD1-CG 3.85Å; L74-E81 HydrophobicContact CG-CB 4.03Å; L79-E81 VanDerWaalsContact CB-OE2 3.23Å; L79-E81 WeakPolarHBondContact CB-OE2 3.45Å; L79-E81 PolarHBondContact O-N 3.42Å; E81-S83 PolarHBondContact O-N 2.83Å; E81-S83 VanDerWaalsContact O-N 3.14Å; E81-S84 PolarHBondContact O-N 3.4Å; E81-V87 HydrophobicContact CB-CG2 4.26Å
82	S	78.2	Confident	87.3	Confident	24 Å²	24	70 Å²	70	17%	0.168	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-59.5	-25.3	172.6	-55.1	0	0	0	0	111.8	R61 L74 F75 G78 L79 A80	R61-S82 PolarHBondContact NH1-O 2.89Å; R61-S82 PolarHBondContact NH2-O 3.42Å; R61-S82 VanDerWaalsContact NH2-O 3.13Å; L74-S82 PolarHBondContact O-N 3.34Å; L74-S82 PolarHBondContact O-OG 2.78Å; F75-S82 VanDerWaalsContact O-CB 3.29Å; F75-S82 WeakPolarHBondContact O-CB 3.24Å; F75-S82 PolarHBondContact O-OG 2.7Å; G78-S82 PolarHBondContact N-OG 3Å; L79-S82 PolarHBondContact N-OG 2.89Å; L79-S82 WeakPolarHBondContact O-CB 3.41Å; L79-S82 PolarHBondContact O-N 3.38Å; L79-S82 PolarHBondContact O-OG 2.96Å; A80-S82 PolarHBondContact O-N 3.25Å
83	S	80.3	Confident	87.1	Confident	106 Å²	106	67 Å²	67	74%	0.741	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-95.6	-15.3	174.3	73.8	0	0	0	0	115.2	A80 E81	A80-S83 PolarHBondContact O-N 3.27Å; A80-S83 PolarHBondContact O-OG 3.41Å; E81-S83 PolarHBondContact O-N 2.83Å; E81-S83 VanDerWaalsContact O-N 3.14Å
84	S	87.6	Confident	87.2	Confident	42 Å²	42	66 Å²	66	29%	0.294	39%	0.391	S	S	.	.			trans	-86.7	135.2	-171.4	-168.4	0	0	0	0	113.6	R61 A80 E81 V86	R61-S84 PolarHBondContact NH2-O 2.97Å; A80-S84 PolarHBondContact O-N 3.28Å; E81-S84 PolarHBondContact O-N 3.4Å; S84-V86 VanDerWaalsContact C-N 3.29Å; S84-V86 WeakPolarHBondContact CB-O 3.28Å; S84-V86 PolarHBondContact OG-N 3.23Å; S84-V86 PolarHBondContact OG-O 3.43Å
85	S	89.8	Confident	87.3	Confident	83 Å²	83	69.8 Å²	69.8	58%	0.58	41%	0.411	S	S	*	.	S	Bend	trans	-77	-14.6	169.4	55.3	0	0	0	0	113.3	V49	V49-S85 PolarHBondContact N-O 3.22Å
86	V	93.9	Very high	87.4	Confident	34 Å²	34	69.6 Å²	69.6	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	178.3	-173.1	0	0	0	0	109.9	V49 V51 S84 Y88	V49-V86 WeakPolarHBondContact O-CA 3.28Å; V51-V86 HydrophobicContact CG2-CG1 3.64Å; S84-V86 VanDerWaalsContact C-N 3.29Å; S84-V86 WeakPolarHBondContact CB-O 3.28Å; S84-V86 PolarHBondContact OG-N 3.23Å; S84-V86 PolarHBondContact OG-O 3.43Å; V86-Y88 HydrophobicContact CG1-CD2 4.31Å; V86-Y88 HydrophobicContact CG1-CE2 3.7Å
87	V	93.3	Very high	87.6	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.036	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.5	178.6	176.1	0	0	0	0	109.6	V48 V49 L50 V51 L74 F75 E81 L89	V48-V87 HydrophobicContact CG2-CG2 4.13Å; V49-V87 PolarHBondContact O-N 2.87Å; L50-V87 CarbonylContact C-O 3.56Å; L50-V87 WeakPolarHBondContact CA-O 3.36Å; L50-V87 HydrophobicContact CD2-CB 3.91Å; L50-V87 HydrophobicContact CD2-CG1 4.46Å; V51-V87 PolarHBondContact N-O 3.2Å; L74-V87 HydrophobicContact CD2-CG1 4.09Å; F75-V87 HydrophobicContact CE1-CG2 4.16Å; E81-V87 HydrophobicContact CB-CG2 4.26Å; V87-L89 HydrophobicContact CG1-CD2 4.17Å; V87-L89 HydrophobicContact CG1-CG 4.38Å
88	Y	92.9	Very high	88	Confident	159 Å²	159	65.4 Å²	65.4	62%	0.624	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.5	177.8	-67.4	-95.9	0	0	0	109.9	V51 V86	V51-Y88 HydrophobicContact CB-CD1 3.8Å; V51-Y88 HydrophobicContact CB-CE1 3.99Å; V51-Y88 HydrophobicContact CB-CG 4.37Å; V51-Y88 HydrophobicContact CG1-CD1 3.87Å; V51-Y88 HydrophobicContact CG1-CE1 3.84Å; V51-Y88 HydrophobicContact CG2-CD1 4.42Å; V51-Y88 HydrophobicContact CG2-CE1 4.22Å; V86-Y88 HydrophobicContact CG1-CD2 4.31Å; V86-Y88 HydrophobicContact CG1-CE2 3.7Å
89	L	91	Very high	88.6	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	36%	0.355	C	S	.	.			trans	-120.4	92.1	-175.9	-69.7	179.8	0	0	0	108	L50 V51 V52 F71 V87 I92 F97	L50-L89 HydrophobicContact CB-CD1 4.15Å; L50-L89 HydrophobicContact CD1-CD1 4.35Å; V51-L89 PolarHBondContact O-N 3.49Å; V52-L89 HydrophobicContact CG2-CB 3.64Å; V52-L89 HydrophobicContact CG2-CD1 4.16Å; F71-L89 HydrophobicContact CE1-CD1 4.5Å; V87-L89 HydrophobicContact CG1-CD2 4.17Å; V87-L89 HydrophobicContact CG1-CG 4.38Å; L89-I92 HydrophobicContact CB-CD1 3.88Å; L89-F97 HydrophobicContact CD1-CE2 3.67Å; L89-F97 HydrophobicContact CD1-CZ 3.69Å
90	N	88.1	Confident	89.5	Confident	115 Å²	115	58.5 Å²	58.5	62%	0.615	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	162.5	-173.2	-60.9	-21.3	0	0	0	112.3	I92	N90-I92 WeakPolarHBondContact O-CD1 3.42Å; N90-I92 VanDerWaalsContact O-CG1 3.29Å; N90-I92 WeakPolarHBondContact O-CG1 3.14Å; N90-I92 PolarHBondContact O-N 2.72Å
91	D	85.3	Confident	90.4	Very high	173 Å²	173	55 Å²	55	93%	0.925	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	16.7	174.4	-53.8	-47.5	0	0	0	116
92	I	90.4	Very high	91.2	Very high	10 Å²	10	54 Å²	54	5%	0.051	30%	0.297	C	S	.	.			trans	-107.3	134.6	-176.1	-72.6	156.8	0	0	0	110.6	V52 Q53 L89 N90 V94 F97 L123 Y127	V52-I92 HydrophobicContact CG1-CB 4.17Å; V52-I92 HydrophobicContact CG1-CG2 3.88Å; V52-I92 WeakPolarHBondContact CG1-O 3.45Å; V52-I92 HydrophobicContact CG2-CG2 4.41Å; Q53-I92 VanDerWaalsContact CD-O 3.26Å; Q53-I92 WeakPolarHBondContact CG-O 3.26Å; Q53-I92 PolarHBondContact OE1-O 3.18Å; L89-I92 HydrophobicContact CB-CD1 3.88Å; N90-I92 WeakPolarHBondContact O-CD1 3.42Å; N90-I92 VanDerWaalsContact O-CG1 3.29Å; N90-I92 WeakPolarHBondContact O-CG1 3.14Å; N90-I92 PolarHBondContact O-N 2.72Å; I92-V94 PolarHBondContact O-N 3.37Å; I92-F97 HydrophobicContact CG2-CB 3.86Å; I92-F97 HydrophobicContact CG2-CD2 4.18Å; I92-F97 HydrophobicContact CG2-CG 4.33Å; I92-L123 HydrophobicContact CB-CD2 4.48Å; I92-L123 HydrophobicContact CD1-CD2 4.39Å; I92-L123 HydrophobicContact CG1-CD2 3.91Å; I92-L123 HydrophobicContact CG2-CD1 4.14Å; I92-L123 HydrophobicContact CG2-CD2 3.85Å; I92-Y127 WeakPolarHBondContact CD1-OH 3.34Å
93	N	90.8	Very high	92	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	30%	0.295	S	S	.	.			trans	-70.1	119.9	173.1	178.9	-88.3	0	0	0	111	I95 A96 F97	N93-I95 VanDerWaalsContact C-N 3.28Å; N93-I95 PolarHBondContact O-N 2.99Å; N93-I95 WeakPolarHBondContact OD1-CB 3.39Å; N93-I95 PolarHBondContact OD1-N 3.39Å; N93-I95 VanDerWaalsContact OD1-N 3.12Å; N93-A96 HydrophobicContact CB-CB 4.15Å; N93-A96 PolarHBondContact O-N 3.21Å; N93-A96 PolarHBondContact OD1-N 3.41Å; N93-F97 PolarHBondContact O-N 3.45Å
94	V	93.9	Very high	92.8	Very high	34 Å²	34	49.7 Å²	49.7	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-34.3	-176.7	67	0	0	0	0	114.2	V52 Q53 T55 F57 I92 K98	V52-V94 HydrophobicContact CG1-CB 4.03Å; V52-V94 HydrophobicContact CG1-CG2 4.37Å; Q53-V94 HydrophobicContact CB-CB 4.44Å; T55-V94 HydrophobicContact CG2-CG2 4.03Å; F57-V94 HydrophobicContact CE2-CG2 3.89Å; F57-V94 HydrophobicContact CZ-CG2 3.74Å; I92-V94 PolarHBondContact O-N 3.37Å; V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 PolarHBondContact O-N 3.25Å
95	I	93.7	Very high	93.1	Very high	96 Å²	96	48 Å²	48	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-73.5	-45.6	-179.4	-49.4	-179.5	0	0	0	110.1	N93 F97 K98 S99 L116	N93-I95 VanDerWaalsContact C-N 3.28Å; N93-I95 PolarHBondContact O-N 2.99Å; N93-I95 WeakPolarHBondContact OD1-CB 3.39Å; N93-I95 PolarHBondContact OD1-N 3.39Å; N93-I95 VanDerWaalsContact OD1-N 3.12Å; I95-F97 VanDerWaalsContact C-N 3.26Å; I95-F97 PolarHBondContact O-N 3.41Å; I95-K98 WeakPolarHBondContact O-CB 3.34Å; I95-K98 PolarHBondContact O-N 2.7Å; I95-S99 PolarHBondContact O-N 3.41Å; I95-S99 PolarHBondContact O-OG 3.42Å; I95-L116 HydrophobicContact CB-CD1 3.94Å; I95-L116 HydrophobicContact CG2-CD1 3.87Å; I95-L116 HydrophobicContact CG2-CD2 3.95Å
96	A	94.4	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-38.2	175.2	0	0	0	0	0	111.2	N93 S99 I100 L116 I120 L123	N93-A96 HydrophobicContact CB-CB 4.15Å; N93-A96 PolarHBondContact O-N 3.21Å; N93-A96 PolarHBondContact OD1-N 3.41Å; A96-S99 WeakPolarHBondContact O-CB 3.45Å; A96-S99 PolarHBondContact O-N 2.61Å; A96-I100 WeakPolarHBondContact O-CG1 3.36Å; A96-I100 PolarHBondContact O-N 3.25Å; A96-L116 HydrophobicContact CB-CD1 3.91Å; A96-I120 HydrophobicContact CB-CG1 3.86Å; A96-L123 HydrophobicContact CB-CD1 3.73Å
97	F	95.6	Very high	93.2	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-44.5	174.5	-169.7	-99.3	0	0	0	112.6	L50 V52 F57 F71 L89 I92 N93 I95 S99 I100 L101 L123 Y127	L50-F97 HydrophobicContact CB-CE1 4.4Å; L50-F97 HydrophobicContact CB-CZ 4.37Å; L50-F97 HydrophobicContact CD1-CE1 4.29Å; L50-F97 HydrophobicContact CD1-CZ 3.7Å; V52-F97 HydrophobicContact CG1-CB 4.42Å; V52-F97 HydrophobicContact CG2-CB 4.36Å; V52-F97 HydrophobicContact CG2-CD1 3.74Å; V52-F97 HydrophobicContact CG2-CD2 4.23Å; V52-F97 HydrophobicContact CG2-CE1 4.09Å; V52-F97 HydrophobicContact CG2-CG 3.82Å; V52-F97 HydrophobicContact CG2-CZ 4.49Å; F57-F97 HydrophobicContact CB-CE1 4.38Å; F57-F97 HydrophobicContact CD2-CD1 4Å; F57-F97 HydrophobicContact CD2-CE1 4.05Å; F57-F97 AromaticContact CE2-CD1 3.99Å; F57-F97 HydrophobicContact CE2-CD1 3.99Å; F57-F97 HydrophobicContact CG-CD1 4.28Å; F57-F97 HydrophobicContact CG-CE1 4.1Å; F57-F97 HydrophobicContact CZ-CD1 4.26Å; F71-F97 HydrophobicContact CZ-CE2 4.28Å; L89-F97 HydrophobicContact CD1-CE2 3.67Å; L89-F97 HydrophobicContact CD1-CZ 3.69Å; I92-F97 HydrophobicContact CG2-CB 3.86Å; I92-F97 HydrophobicContact CG2-CD2 4.18Å; I92-F97 HydrophobicContact CG2-CG 4.33Å; N93-F97 PolarHBondContact O-N 3.45Å; I95-F97 VanDerWaalsContact C-N 3.26Å; I95-F97 PolarHBondContact O-N 3.41Å; F97-S99 VanDerWaalsContact C-N 3.27Å; F97-S99 PolarHBondContact O-N 2.76Å; F97-I100 PolarHBondContact O-N 3.47Å; F97-L101 HydrophobicContact CE1-CB 4.39Å; F97-L101 HydrophobicContact CE1-CD2 4.28Å; F97-L101 WeakPolarHBondContact O-CB 3.36Å; F97-L101 PolarHBondContact O-N 3.12Å; F97-L123 HydrophobicContact CB-CD1 4.26Å; F97-Y127 HydrophobicContact CD2-CE2 4.11Å; F97-Y127 AromaticContact CE2-CE2 3.93Å; F97-Y127 HydrophobicContact CE2-CE2 3.93Å
98	K	95	Very high	93.1	Very high	101 Å²	101	51.9 Å²	51.9	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-54.4	-42.9	172.2	-175.1	-174.9	175.9	-173.2	0	111.1	Y40 F57 V94 I95 N102	Y40-K98 WeakPolarHBondContact OH-CG 3.34Å; F57-K98 HydrophobicContact CE1-CB 4.15Å; F57-K98 HydrophobicContact CE1-CG 4.41Å; F57-K98 HydrophobicContact CZ-CB 4.44Å; V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 PolarHBondContact O-N 3.25Å; I95-K98 WeakPolarHBondContact O-CB 3.34Å; I95-K98 PolarHBondContact O-N 2.7Å; K98-N102 WeakPolarHBondContact O-CB 3.47Å; K98-N102 PolarHBondContact O-N 3.21Å
99	S	94.7	Very high	93.1	Very high	29 Å²	29	46.4 Å²	46.4	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-44.7	176.2	-58.6	0	0	0	0	113.4	I95 A96 F97 N102 Y103	I95-S99 PolarHBondContact O-N 3.41Å; I95-S99 PolarHBondContact O-OG 3.42Å; A96-S99 WeakPolarHBondContact O-CB 3.45Å; A96-S99 PolarHBondContact O-N 2.61Å; F97-S99 VanDerWaalsContact C-N 3.27Å; F97-S99 PolarHBondContact O-N 2.76Å; S99-N102 PolarHBondContact O-N 3.04Å; S99-Y103 WeakPolarHBondContact O-CB 3.34Å; S99-Y103 PolarHBondContact O-N 3.19Å
100	I	95.7	Very high	93	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-44.3	177.4	-72.2	-78.5	0	0	0	111.3	A96 F97 N102 Y103 I104 M109 I120 L123 Y127 F129 L132	A96-I100 WeakPolarHBondContact O-CG1 3.36Å; A96-I100 PolarHBondContact O-N 3.25Å; F97-I100 PolarHBondContact O-N 3.47Å; I100-N102 PolarHBondContact O-N 3.4Å; I100-Y103 WeakPolarHBondContact O-CB 3.31Å; I100-Y103 PolarHBondContact O-N 3.33Å; I100-Y103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 4.25Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 3.46Å; I100-M109 HydrophobicContact CD1-CE 4.05Å; I100-I120 HydrophobicContact CD1-CG2 3.96Å; I100-I120 HydrophobicContact CG1-CG2 4.29Å; I100-L123 HydrophobicContact CD1-CB 4.13Å; I100-L123 HydrophobicContact CG1-CB 3.8Å; I100-L123 HydrophobicContact CG1-CD1 4.02Å; I100-Y127 HydrophobicContact CG2-CD2 3.98Å; I100-Y127 HydrophobicContact CG2-CE2 4.25Å; I100-F129 HydrophobicContact CG2-CE2 4Å; I100-L132 HydrophobicContact CD1-CD2 3.68Å
101	L	96.2	Very high	93	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-42.1	177.9	-172.5	67.2	0	0	0	111.2	Y40 F57 A59 L64 F97 Y103 I104 Y105	Y40-L101 HydrophobicContact CD2-CG 4.2Å; Y40-L101 HydrophobicContact CE2-CB 4.18Å; Y40-L101 HydrophobicContact CE2-CD2 4.02Å; Y40-L101 HydrophobicContact CE2-CG 3.87Å; F57-L101 HydrophobicContact CB-CD2 3.83Å; F57-L101 HydrophobicContact CD1-CD2 3.69Å; F57-L101 HydrophobicContact CG-CD2 4.06Å; A59-L101 HydrophobicContact CB-CD1 4.38Å; L64-L101 HydrophobicContact CD2-CD1 3.79Å; F97-L101 HydrophobicContact CE1-CB 4.39Å; F97-L101 HydrophobicContact CE1-CD2 4.28Å; F97-L101 WeakPolarHBondContact O-CB 3.36Å; F97-L101 PolarHBondContact O-N 3.12Å; L101-Y103 VanDerWaalsContact C-N 3.33Å; L101-Y103 PolarHBondContact O-N 2.81Å; L101-I104 WeakPolarHBondContact O-CB 3.3Å; L101-I104 PolarHBondContact O-N 3.46Å; L101-Y105 HydrophobicContact CD1-CD2 4.42Å; L101-Y105 HydrophobicContact CD1-CE2 3.95Å; L101-Y105 HydrophobicContact CG-CE2 4.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.43Å; L101-Y105 PolarHBondContact O-N 2.99Å
102	N	95	Very high	92.6	Very high	51 Å²	51	47.5 Å²	47.5	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-42.6	172.5	-176.9	84.7	0	0	0	112	Y40 K98 S99 I100 I104 Y105 T106 Q108	Y40-N102 HydrophobicContact CE1-CB 4.48Å; Y40-N102 HydrophobicContact CE2-CB 3.99Å; K98-N102 WeakPolarHBondContact O-CB 3.47Å; K98-N102 PolarHBondContact O-N 3.21Å; S99-N102 PolarHBondContact O-N 3.04Å; I100-N102 PolarHBondContact O-N 3.4Å; N102-I104 VanDerWaalsContact C-N 3.33Å; N102-I104 PolarHBondContact O-N 3.15Å; N102-Y105 PolarHBondContact O-N 3.35Å; N102-T106 PolarHBondContact ND2-OG1 3.3Å; N102-T106 WeakPolarHBondContact O-CB 3.27Å; N102-T106 WeakPolarHBondContact O-CG2 3.46Å; N102-T106 PolarHBondContact O-N 3.18Å; N102-T106 PolarHBondContact O-OG1 2.9Å; N102-Q108 PolarHBondContact ND2-O 2.73Å
103	Y	95.5	Very high	92.3	Very high	34 Å²	34	53 Å²	53	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-35.2	177.4	170.6	-98.9	0	0	0	113.1	S99 I100 L101 Y105 G107 Q108 M109 F129 L132	S99-Y103 WeakPolarHBondContact O-CB 3.34Å; S99-Y103 PolarHBondContact O-N 3.19Å; I100-Y103 WeakPolarHBondContact O-CB 3.31Å; I100-Y103 PolarHBondContact O-N 3.33Å; I100-Y103 VanDerWaalsContact O-N 3.16Å; L101-Y103 VanDerWaalsContact C-N 3.33Å; L101-Y103 PolarHBondContact O-N 2.81Å; Y103-Y105 VanDerWaalsContact C-N 3.33Å; Y103-Y105 PolarHBondContact O-N 3.29Å; Y103-G107 WeakPolarHBondContact CE2-O 3.31Å; Y103-G107 VanDerWaalsContact O-CA 3.25Å; Y103-G107 WeakPolarHBondContact O-CA 3.5Å; Y103-G107 PolarHBondContact O-N 3.3Å; Y103-Q108 WeakPolarHBondContact CA-O 3.37Å; Y103-M109 HydrophobicContact CD1-CE 4.43Å; Y103-M109 HydrophobicContact CD2-CB 4.2Å; Y103-M109 HydrophobicContact CD2-CE 4.33Å; Y103-M109 HydrophobicContact CG-CE 3.85Å; Y103-F129 HydrophobicContact CE1-CD1 4.07Å; Y103-F129 HydrophobicContact CE1-CE1 4.37Å; Y103-L132 HydrophobicContact CD1-CD2 3.92Å; Y103-L132 HydrophobicContact CE1-CB 4.25Å; Y103-L132 HydrophobicContact CE1-CD2 3.92Å; Y103-L132 HydrophobicContact CE1-CG 4.49Å; Y103-L132 HydrophobicContact CE2-CD1 4.31Å; Y103-L132 HydrophobicContact CG-CD2 4.44Å
104	I	95.8	Very high	91.7	Very high	6 Å²	6	53 Å²	53	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-45.5	175.4	-74.6	169.3	0	0	0	111.3	I63 L64 R67 F71 I100 L101 N102 F129	I63-I104 HydrophobicContact CG2-CG2 3.94Å; L64-I104 HydrophobicContact CD2-CD1 3.88Å; L64-I104 HydrophobicContact CD2-CG2 4.34Å; R67-I104 HydrophobicContact CB-CG2 3.99Å; R67-I104 HydrophobicContact CG-CG2 4.07Å; F71-I104 HydrophobicContact CE2-CD1 4.3Å; I100-I104 HydrophobicContact CG2-CD1 4.25Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 3.46Å; L101-I104 WeakPolarHBondContact O-CB 3.3Å; L101-I104 PolarHBondContact O-N 3.46Å; N102-I104 VanDerWaalsContact C-N 3.33Å; N102-I104 PolarHBondContact O-N 3.15Å; I104-F129 HydrophobicContact CD1-CE2 4.31Å; I104-F129 HydrophobicContact CD1-CZ 3.7Å; I104-F129 HydrophobicContact CG1-CE1 4.09Å; I104-F129 HydrophobicContact CG1-CE2 4.38Å; I104-F129 HydrophobicContact CG1-CZ 3.5Å; I104-F129 VanDerWaalsContact CG1-CZ 3.5Å
105	Y	95.4	Very high	91.1	Very high	6 Å²	6	58.6 Å²	58.6	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-82.6	-37.6	-175.6	-78	-108.1	0	0	0	113.4	I36 L39 Y40 A59 H60 I63 L101 N102 Y103	I36-Y105 HydrophobicContact CG2-CD1 4.45Å; I36-Y105 WeakPolarHBondContact O-CD1 3.46Å; L39-Y105 HydrophobicContact CB-CD1 4.07Å; L39-Y105 HydrophobicContact CB-CE1 3.76Å; L39-Y105 WeakPolarHBondContact O-CE1 3.49Å; Y40-Y105 HydrophobicContact CD2-CD2 4.33Å; Y40-Y105 HydrophobicContact CD2-CG 4.45Å; A59-Y105 WeakPolarHBondContact CA-OH 3.41Å; H60-Y105 WeakPolarHBondContact CB-OH 3.15Å; H60-Y105 PolarHBondContact N-OH 3.12Å; H60-Y105 PolarHBondContact ND1-OH 3.14Å; I63-Y105 HydrophobicContact CD1-CD1 4.14Å; I63-Y105 HydrophobicContact CD1-CE1 3.57Å; I63-Y105 HydrophobicContact CG2-CD1 4.35Å; I63-Y105 HydrophobicContact CG2-CD2 4.31Å; I63-Y105 HydrophobicContact CG2-CE1 4.22Å; I63-Y105 HydrophobicContact CG2-CE2 4.18Å; I63-Y105 HydrophobicContact CG2-CG 4.4Å; L101-Y105 HydrophobicContact CD1-CD2 4.42Å; L101-Y105 HydrophobicContact CD1-CE2 3.95Å; L101-Y105 HydrophobicContact CG-CE2 4.49Å; L101-Y105 WeakPolarHBondContact O-CD2 3.43Å; L101-Y105 PolarHBondContact O-N 2.99Å; N102-Y105 PolarHBondContact O-N 3.35Å; Y103-Y105 VanDerWaalsContact C-N 3.33Å; Y103-Y105 PolarHBondContact O-N 3.29Å
106	T	93.5	Very high	90.9	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.141	28%	0.281	C	S	.	.	H	α-helix	trans	-98.5	-20.4	-173	63.1	0	0	0	0	114.2	N102 Q108	N102-T106 PolarHBondContact ND2-OG1 3.3Å; N102-T106 WeakPolarHBondContact O-CB 3.27Å; N102-T106 WeakPolarHBondContact O-CG2 3.46Å; N102-T106 PolarHBondContact O-N 3.18Å; N102-T106 PolarHBondContact O-OG1 2.9Å; T106-Q108 PolarHBondContact O-N 2.79Å; T106-Q108 PolarHBondContact OG1-N 2.8Å; T106-Q108 PolarHBondContact OG1-O 2.74Å
107	G	91.5	Very high	90.8	Very high	41 Å²	41	55.6 Å²	55.6	42%	0.423	28%	0.282	S	S	.	.	S	Bend	trans	69.6	5	-165.6	0	0	0	0	0	114.5	Y103	Y103-G107 WeakPolarHBondContact CE2-O 3.31Å; Y103-G107 VanDerWaalsContact O-CA 3.25Å; Y103-G107 WeakPolarHBondContact O-CA 3.5Å; Y103-G107 PolarHBondContact O-N 3.3Å
108	Q	92	Very high	90.6	Very high	141 Å²	141	56.9 Å²	56.9	66%	0.659	29%	0.288	S	S	*	.			trans	-122.8	146.7	-170.8	-62.1	-178.9	23.5	0	0	112.4	N102 Y103 T106	N102-Q108 PolarHBondContact ND2-O 2.73Å; Y103-Q108 WeakPolarHBondContact CA-O 3.37Å; T106-Q108 PolarHBondContact O-N 2.79Å; T106-Q108 PolarHBondContact OG1-N 2.8Å; T106-Q108 PolarHBondContact OG1-O 2.74Å
109	M	91.6	Very high	90.5	Very high	44 Å²	44	54 Å²	54	22%	0.217	28%	0.281	C	S	.	.			trans	-151.1	143.5	176.7	-166.5	-175.2	-66.7	0	0	110.2	I100 Y103 L111 I120 L132	I100-M109 HydrophobicContact CD1-CE 4.05Å; Y103-M109 HydrophobicContact CD1-CE 4.43Å; Y103-M109 HydrophobicContact CD2-CB 4.2Å; Y103-M109 HydrophobicContact CD2-CE 4.33Å; Y103-M109 HydrophobicContact CG-CE 3.85Å; M109-L111 HydrophobicContact CG-CD2 4.4Å; M109-L111 HydrophobicContact SD-CD2 3.8Å; M109-I120 HydrophobicContact CE-CG2 3.89Å; M109-I120 HydrophobicContact SD-CD1 4.07Å; M109-I120 HydrophobicContact SD-CG2 3.58Å; M109-I120 VanDerWaalsContact SD-CG2 3.58Å; M109-L132 HydrophobicContact CE-CD1 4.1Å; M109-L132 HydrophobicContact CE-CD2 3.72Å; M109-L132 HydrophobicContact SD-CD1 4.33Å
110	K	89.8	Confident	90.5	Very high	185 Å²	185	52.8 Å²	52.8	80%	0.804	27%	0.272	S	S	*	.			trans	-107.8	126.1	170.4	-63.8	178.2	-177.2	174.1	0	109	T112	K110-T112 HydrophobicContact CB-CG2 4.39Å
111	L	87.5	Confident	90.4	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.215	27%	0.272	C	S	.	.			trans	-97.8	102	175.4	-60.3	179.7	0	0	0	109.5	M109 T117 I120 I136 Y139	M109-L111 HydrophobicContact CG-CD2 4.4Å; M109-L111 HydrophobicContact SD-CD2 3.8Å; L111-T117 HydrophobicContact CD1-CG2 4.21Å; L111-T117 HydrophobicContact CD2-CG2 4.21Å; L111-I120 HydrophobicContact CD2-CD1 4.25Å; L111-I136 HydrophobicContact CD1-CG1 4.06Å; L111-Y139 HydrophobicContact CB-CD2 4.35Å; L111-Y139 HydrophobicContact CB-CE1 4.46Å; L111-Y139 HydrophobicContact CB-CE2 4.08Å; L111-Y139 HydrophobicContact CD1-CD1 4.01Å; L111-Y139 HydrophobicContact CD1-CD2 4.12Å; L111-Y139 HydrophobicContact CD1-CG 3.78Å
112	T	77.9	Confident	90.2	Very high	91 Å²	91	54.3 Å²	54.3	56%	0.558	28%	0.283	S	S	*	.			trans	-107.2	-50.8	-172.4	53.5	0	0	0	0	113.6	K110	K110-T112 HydrophobicContact CB-CG2 4.39Å
113	K	82.2	Confident	90.1	Very high	125 Å²	125	52.1 Å²	52.1	54%	0.543	27%	0.271	S	S	.	.			trans	-109.4	113.8	-171.6	-63	179.1	-173.6	-179.5	0	109.7	K115 L116 T117 D451	K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 2.87Å; K113-L116 HydrophobicContact CB-CB 4.23Å; K113-L116 WeakPolarHBondContact O-CA 3.14Å; K113-L116 WeakPolarHBondContact O-CB 3.24Å; K113-L116 PolarHBondContact O-N 3.23Å; K113-T117 PolarHBondContact O-N 3.26Å; K113-T117 VanDerWaalsContact O-N 3.08Å; K113-T117 PolarHBondContact O-OG1 3.49Å; K113-D451 IonicContact NZ-OD1 3.97Å
114	P	78.5	Confident	90.1	Very high	63 Å²	63	50.5 Å²	50.5	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-32.7	-172.1	-29.9	36.4	0	0	0	116.3	T117 L118	P114-T117 WeakPolarHBondContact O-CB 3.4Å; P114-T117 PolarHBondContact O-N 3.32Å; P114-L118 PolarHBondContact O-N 2.93Å
115	K	82.5	Confident	89.9	Confident	151 Å²	151	53.8 Å²	53.8	66%	0.657	28%	0.28	S	S	*	.	H	α-helix	trans	-58.7	-46.7	171.5	-73.8	-171	178.4	-178.6	0	111	K113 T117 L118 Y430	K113-K115 VanDerWaalsContact C-N 3.33Å; K113-K115 PolarHBondContact O-N 2.87Å; K115-T117 VanDerWaalsContact C-N 3.33Å; K115-T117 PolarHBondContact O-N 3.36Å; K115-L118 PolarHBondContact O-N 3.2Å; K115-Y430 PolarHBondContact NZ-OH 2.87Å
116	L	89.2	Confident	89.7	Confident	33 Å²	33	57.6 Å²	57.6	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-37.2	178.1	-178.5	65.7	0	0	0	111.5	I95 A96 K113 L118 S119 I120	I95-L116 HydrophobicContact CB-CD1 3.94Å; I95-L116 HydrophobicContact CG2-CD1 3.87Å; I95-L116 HydrophobicContact CG2-CD2 3.95Å; A96-L116 HydrophobicContact CB-CD1 3.91Å; K113-L116 HydrophobicContact CB-CB 4.23Å; K113-L116 WeakPolarHBondContact O-CA 3.14Å; K113-L116 WeakPolarHBondContact O-CB 3.24Å; K113-L116 PolarHBondContact O-N 3.23Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 3.18Å; L116-S119 WeakPolarHBondContact O-CB 3.38Å; L116-S119 PolarHBondContact O-N 2.75Å; L116-S119 VanDerWaalsContact O-N 3.08Å; L116-I120 HydrophobicContact CD2-CD1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.92Å; L116-I120 HydrophobicContact CG-CG1 4.33Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 3.39Å
117	T	92.6	Very high	89.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-35.1	176.8	-54.1	0	0	0	0	112.9	L111 K113 P114 K115 I120 L121 I136 Y139 L140	L111-T117 HydrophobicContact CD1-CG2 4.21Å; L111-T117 HydrophobicContact CD2-CG2 4.21Å; K113-T117 PolarHBondContact O-N 3.26Å; K113-T117 VanDerWaalsContact O-N 3.08Å; K113-T117 PolarHBondContact O-OG1 3.49Å; P114-T117 WeakPolarHBondContact O-CB 3.4Å; P114-T117 PolarHBondContact O-N 3.32Å; K115-T117 VanDerWaalsContact C-N 3.33Å; K115-T117 PolarHBondContact O-N 3.36Å; T117-I120 PolarHBondContact O-N 3.31Å; T117-L121 PolarHBondContact O-N 3.13Å; T117-I136 HydrophobicContact CG2-CG2 3.65Å; T117-Y139 HydrophobicContact CG2-CD1 3.84Å; T117-Y139 HydrophobicContact CG2-CE1 3.86Å; T117-L140 HydrophobicContact CG2-CD2 3.92Å; T117-L140 HydrophobicContact CG2-CG 4.22Å
118	L	91.1	Very high	89.8	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-38.6	173.9	-71.6	174	0	0	0	112.4	P114 K115 L116 L121 C122 L140 C151 I152 M155	P114-L118 PolarHBondContact O-N 2.93Å; K115-L118 PolarHBondContact O-N 3.2Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 3.18Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 2.99Å; L118-C122 PolarHBondContact O-N 2.86Å; L118-C122 VanDerWaalsContact O-N 3.13Å; L118-L140 HydrophobicContact CD2-CD1 4.04Å; L118-L140 HydrophobicContact CD2-CD2 4.4Å; L118-C151 HydrophobicContact CD1-CB 3.96Å; L118-I152 HydrophobicContact CD2-CG1 4.1Å; L118-M155 HydrophobicContact CB-CE 4.42Å; L118-M155 HydrophobicContact CD2-CB 4.43Å; L118-M155 HydrophobicContact CD2-CG 4.38Å
119	S	91.8	Very high	89.9	Confident	42 Å²	42	51.1 Å²	51.1	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-37.3	173.3	-54.1	0	0	0	0	112.1	L116 C122 L123	L116-S119 WeakPolarHBondContact O-CB 3.38Å; L116-S119 PolarHBondContact O-N 2.75Å; L116-S119 VanDerWaalsContact O-N 3.08Å; S119-C122 PolarHBondContact O-N 3.25Å; S119-L123 WeakPolarHBondContact O-CG 3.45Å; S119-L123 PolarHBondContact O-N 3.02Å
120	I	94.7	Very high	89.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-37.7	174.1	-64.3	170.2	0	0	0	110.7	A96 I100 M109 L111 L116 T117 L123 A124 I136	A96-I120 HydrophobicContact CB-CG1 3.86Å; I100-I120 HydrophobicContact CD1-CG2 3.96Å; I100-I120 HydrophobicContact CG1-CG2 4.29Å; M109-I120 HydrophobicContact CE-CG2 3.89Å; M109-I120 HydrophobicContact SD-CD1 4.07Å; M109-I120 HydrophobicContact SD-CG2 3.58Å; M109-I120 VanDerWaalsContact SD-CG2 3.58Å; L111-I120 HydrophobicContact CD2-CD1 4.25Å; L116-I120 HydrophobicContact CD2-CD1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.92Å; L116-I120 HydrophobicContact CG-CG1 4.33Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 3.39Å; T117-I120 PolarHBondContact O-N 3.31Å; I120-L123 PolarHBondContact O-N 3.41Å; I120-A124 WeakPolarHBondContact O-CB 3.5Å; I120-A124 PolarHBondContact O-N 3.47Å; I120-I136 HydrophobicContact CB-CD1 4.44Å; I120-I136 HydrophobicContact CG2-CD1 3.59Å
121	L	93.9	Very high	90	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-46.8	174.6	-179.1	64	0	0	0	111.7	T117 L118 L123 A124 H125 E133 I136 L140 L161 L164	T117-L121 PolarHBondContact O-N 3.13Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 2.99Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 2.92Å; L121-A124 WeakPolarHBondContact O-CB 3.41Å; L121-A124 PolarHBondContact O-N 3.41Å; L121-H125 PolarHBondContact O-N 3.28Å; L121-E133 HydrophobicContact CD1-CG 3.99Å; L121-I136 HydrophobicContact CB-CG2 3.98Å; L121-I136 HydrophobicContact CD1-CB 4.25Å; L121-I136 HydrophobicContact CD1-CG2 3.96Å; L121-I136 HydrophobicContact CG-CG2 4.44Å; L121-L140 HydrophobicContact CD2-CD1 3.77Å; L121-L161 HydrophobicContact CD1-CD1 4.04Å; L121-L161 HydrophobicContact CD2-CD1 3.85Å; L121-L161 HydrophobicContact CG-CD1 4.28Å; L121-L164 HydrophobicContact CD2-CD2 4.42Å
122	C	91.6	Very high	90.3	Very high	34 Å²	34	51.1 Å²	51.1	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-53.9	-49.6	174.8	171.4	0	0	0	0	111.5	L118 S119 A124 H125 Q126 M155 Y159	L118-C122 PolarHBondContact O-N 2.86Å; L118-C122 VanDerWaalsContact O-N 3.13Å; S119-C122 PolarHBondContact O-N 3.25Å; C122-A124 PolarHBondContact O-N 3.5Å; C122-H125 PolarHBondContact O-N 2.89Å; C122-Q126 VanDerWaalsContact O-CB 3.31Å; C122-Q126 WeakPolarHBondContact O-CB 3.33Å; C122-Q126 PolarHBondContact O-N 3.43Å; C122-M155 HydrophobicContact CB-CE 4.27Å; C122-Y159 HydrophobicContact CB-CE2 4.38Å; C122-Y159 WeakPolarHBondContact CB-OH 3.49Å; C122-Y159 PolarHBondContact SG-OH 3.18Å
123	L	94.1	Very high	91.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-33.7	178	-63.4	-179.6	0	0	0	113.3	I92 A96 F97 I100 S119 I120 L121 H125 Y127	I92-L123 HydrophobicContact CB-CD2 4.48Å; I92-L123 HydrophobicContact CD1-CD2 4.39Å; I92-L123 HydrophobicContact CG1-CD2 3.91Å; I92-L123 HydrophobicContact CG2-CD1 4.14Å; I92-L123 HydrophobicContact CG2-CD2 3.85Å; A96-L123 HydrophobicContact CB-CD1 3.73Å; F97-L123 HydrophobicContact CB-CD1 4.26Å; I100-L123 HydrophobicContact CD1-CB 4.13Å; I100-L123 HydrophobicContact CG1-CB 3.8Å; I100-L123 HydrophobicContact CG1-CD1 4.02Å; S119-L123 WeakPolarHBondContact O-CG 3.45Å; S119-L123 PolarHBondContact O-N 3.02Å; I120-L123 PolarHBondContact O-N 3.41Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 2.92Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-Y127 HydrophobicContact CB-CD2 4.25Å; L123-Y127 HydrophobicContact CB-CE2 4.19Å; L123-Y127 HydrophobicContact CD2-CE2 3.97Å; L123-Y127 VanDerWaalsContact O-CB 3.3Å; L123-Y127 WeakPolarHBondContact O-CB 3.32Å; L123-Y127 VanDerWaalsContact O-CD2 3.31Å; L123-Y127 WeakPolarHBondContact O-CD2 3.42Å; L123-Y127 PolarHBondContact O-N 3.06Å
124	A	94.7	Very high	91.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-42.7	174.6	0	0	0	0	0	110.9	I120 L121 C122 N128 F129 L132 E133 I136	I120-A124 WeakPolarHBondContact O-CB 3.5Å; I120-A124 PolarHBondContact O-N 3.47Å; L121-A124 WeakPolarHBondContact O-CB 3.41Å; L121-A124 PolarHBondContact O-N 3.41Å; C122-A124 PolarHBondContact O-N 3.5Å; A124-N128 PolarHBondContact O-N 3.01Å; A124-F129 HydrophobicContact CB-CB 4.37Å; A124-F129 PolarHBondContact O-N 2.92Å; A124-L132 HydrophobicContact CB-CD2 3.93Å; A124-L132 HydrophobicContact CB-CG 4.16Å; A124-E133 HydrophobicContact CB-CB 4.49Å; A124-I136 HydrophobicContact CB-CD1 4.27Å
125	H	91.9	Very high	92.3	Very high	75 Å²	75	47.9 Å²	47.9	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-54.9	174.5	-170.9	80.1	0	0	0	111.7	L121 C122 L123 Y127 N128 E133 Y159	L121-H125 PolarHBondContact O-N 3.28Å; C122-H125 PolarHBondContact O-N 2.89Å; L123-H125 VanDerWaalsContact C-N 3.34Å; H125-Y127 PolarHBondContact O-N 3.21Å; H125-N128 PolarHBondContact O-N 3.24Å; H125-E133 WeakPolarHBondContact CB-OE2 3.5Å; H125-E133 IonicContact CE1-OE2 3.67Å; H125-E133 IonicContact CG-OE2 3.87Å; H125-E133 IonicContact ND1-OE2 2.68Å; H125-E133 PolarHBondContact ND1-OE2 3.05Å; H125-Y159 HydrophobicContact CB-CD1 4.34Å; H125-Y159 HydrophobicContact CB-CG 4.45Å; H125-Y159 AromaticContact CD2-CD1 3.34Å; H125-Y159 WeakPolarHBondContact CD2-CD1 3.33Å; H125-Y159 AromaticContact CD2-CE1 3.98Å; H125-Y159 AromaticContact CG-CD1 3.79Å; H125-Y159 AromaticContact NE2-CD1 3.72Å
126	Q	91.5	Very high	92.9	Very high	85 Å²	85	40.7 Å²	40.7	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-35.9	-178	-173.3	-179.4	11.5	0	0	112.9	C122	C122-Q126 VanDerWaalsContact O-CB 3.31Å; C122-Q126 WeakPolarHBondContact O-CB 3.33Å; C122-Q126 PolarHBondContact O-N 3.43Å
127	Y	93.6	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	11.3	178.4	-54.8	-32.4	0	0	0	114	S68 Y70 F71 I92 F97 I100 L123 H125 F129	S68-Y127 PolarHBondContact OG-O 3.4Å; Y70-Y127 AromaticContact CD1-CD1 3.29Å; Y70-Y127 HydrophobicContact CD1-CD1 3.29Å; Y70-Y127 AromaticContact CD1-CE1 3.55Å; Y70-Y127 HydrophobicContact CD1-CE1 3.55Å; Y70-Y127 HydrophobicContact CD1-CG 4.27Å; Y70-Y127 HydrophobicContact CD2-CD1 4.18Å; Y70-Y127 AromaticContact CE1-CD1 3.7Å; Y70-Y127 HydrophobicContact CE1-CD1 3.7Å; Y70-Y127 AromaticContact CE1-CE1 3.42Å; Y70-Y127 HydrophobicContact CE1-CE1 3.42Å; Y70-Y127 VanDerWaalsContact CE1-CE1 3.42Å; Y70-Y127 HydrophobicContact CE2-CE1 4.5Å; Y70-Y127 AromaticContact CG-CD1 3.57Å; Y70-Y127 HydrophobicContact CG-CD1 3.57Å; Y70-Y127 HydrophobicContact CG-CE1 4.16Å; Y70-Y127 AromaticContact CZ-CE1 3.95Å; F71-Y127 HydrophobicContact CE2-CD1 4.36Å; F71-Y127 HydrophobicContact CE2-CD2 4.12Å; F71-Y127 HydrophobicContact CE2-CE1 4.46Å; F71-Y127 HydrophobicContact CE2-CE2 4.22Å; F71-Y127 HydrophobicContact CE2-CG 4.18Å; F71-Y127 HydrophobicContact CZ-CE1 4.23Å; F71-Y127 HydrophobicContact CZ-CE2 4.25Å; I92-Y127 WeakPolarHBondContact CD1-OH 3.34Å; F97-Y127 HydrophobicContact CD2-CE2 4.11Å; F97-Y127 AromaticContact CE2-CE2 3.93Å; F97-Y127 HydrophobicContact CE2-CE2 3.93Å; I100-Y127 HydrophobicContact CG2-CD2 3.98Å; I100-Y127 HydrophobicContact CG2-CE2 4.25Å; L123-Y127 HydrophobicContact CB-CD2 4.25Å; L123-Y127 HydrophobicContact CB-CE2 4.19Å; L123-Y127 HydrophobicContact CD2-CE2 3.97Å; L123-Y127 VanDerWaalsContact O-CB 3.3Å; L123-Y127 WeakPolarHBondContact O-CB 3.32Å; L123-Y127 VanDerWaalsContact O-CD2 3.31Å; L123-Y127 WeakPolarHBondContact O-CD2 3.42Å; L123-Y127 PolarHBondContact O-N 3.06Å; H125-Y127 PolarHBondContact O-N 3.21Å; Y127-F129 VanDerWaalsContact CB-CE2 3.48Å; Y127-F129 HydrophobicContact CD2-CE2 4.18Å; Y127-F129 HydrophobicContact CG-CE2 4.33Å; Y127-F129 PolarHBondContact O-N 2.97Å
128	N	92.2	Very high	93	Very high	58 Å²	58	42.8 Å²	42.8	31%	0.31	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.6	174.7	-168.5	32.7	0	0	0	115	E69 A124 H125 R130	E69-N128 HydrophobicContact CB-CB 4.43Å; A124-N128 PolarHBondContact O-N 3.01Å; H125-N128 PolarHBondContact O-N 3.24Å; N128-R130 PolarHBondContact O-N 3.39Å; N128-R130 WeakPolarHBondContact OD1-CG 3.4Å; N128-R130 PolarHBondContact OD1-NE 3.33Å
129	F	94	Very high	93.1	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.053	24%	0.238	C	C	.	.			trans	-80.2	60.9	174.1	-67.6	-72.7	0	0	0	112.3	R67 I100 Y103 I104 A124 Y127 S131 L132 E133	R67-F129 HydrophobicContact CB-CE1 4.48Å; R67-F129 WeakPolarHBondContact O-CE1 3.36Å; I100-F129 HydrophobicContact CG2-CE2 4Å; Y103-F129 HydrophobicContact CE1-CD1 4.07Å; Y103-F129 HydrophobicContact CE1-CE1 4.37Å; I104-F129 HydrophobicContact CD1-CE2 4.31Å; I104-F129 HydrophobicContact CD1-CZ 3.7Å; I104-F129 HydrophobicContact CG1-CE1 4.09Å; I104-F129 HydrophobicContact CG1-CE2 4.38Å; I104-F129 HydrophobicContact CG1-CZ 3.5Å; I104-F129 VanDerWaalsContact CG1-CZ 3.5Å; A124-F129 HydrophobicContact CB-CB 4.37Å; A124-F129 PolarHBondContact O-N 2.92Å; Y127-F129 VanDerWaalsContact CB-CE2 3.48Å; Y127-F129 HydrophobicContact CD2-CE2 4.18Å; Y127-F129 HydrophobicContact CG-CE2 4.33Å; Y127-F129 PolarHBondContact O-N 2.97Å; F129-S131 VanDerWaalsContact C-N 3.28Å; F129-S131 PolarHBondContact O-N 3.31Å; F129-S131 VanDerWaalsContact O-N 3.11Å; F129-L132 HydrophobicContact CB-CB 3.92Å; F129-L132 HydrophobicContact CB-CD2 4.3Å; F129-L132 WeakPolarHBondContact O-CA 3.35Å; F129-L132 WeakPolarHBondContact O-CB 3.43Å; F129-L132 PolarHBondContact O-N 2.7Å; F129-E133 PolarHBondContact O-N 3.19Å
130	R	92	Very high	93.1	Very high	165 Å²	165	43 Å²	43	62%	0.623	23%	0.225	S	C	*	.	H	α-helix	trans	-49.1	-41.9	-174.5	-59.7	-178.9	-173.5	-172.4	-4.6	114.5	N128 L132 E133 T134	N128-R130 PolarHBondContact O-N 3.39Å; N128-R130 WeakPolarHBondContact OD1-CG 3.4Å; N128-R130 PolarHBondContact OD1-NE 3.33Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.76Å; R130-E133 WeakPolarHBondContact O-CB 3.02Å; R130-E133 PolarHBondContact O-N 3.1Å; R130-T134 PolarHBondContact O-N 3.12Å; R130-T134 PolarHBondContact O-OG1 3.46Å
131	S	92.1	Very high	93	Very high	94 Å²	94	44.8 Å²	44.8	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-65.6	-33.5	178.3	-47.5	0	0	0	0	113	F129 V135	F129-S131 VanDerWaalsContact C-N 3.28Å; F129-S131 PolarHBondContact O-N 3.31Å; F129-S131 VanDerWaalsContact O-N 3.11Å; S131-V135 WeakPolarHBondContact O-CG2 3.26Å; S131-V135 PolarHBondContact O-N 3.01Å
132	L	94.3	Very high	92.8	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-75.4	-41.4	175.1	178.2	65.2	0	0	0	110.7	I100 Y103 M109 A124 F129 R130 T134 V135 I136	I100-L132 HydrophobicContact CD1-CD2 3.68Å; Y103-L132 HydrophobicContact CD1-CD2 3.92Å; Y103-L132 HydrophobicContact CE1-CB 4.25Å; Y103-L132 HydrophobicContact CE1-CD2 3.92Å; Y103-L132 HydrophobicContact CE1-CG 4.49Å; Y103-L132 HydrophobicContact CE2-CD1 4.31Å; Y103-L132 HydrophobicContact CG-CD2 4.44Å; M109-L132 HydrophobicContact CE-CD1 4.1Å; M109-L132 HydrophobicContact CE-CD2 3.72Å; M109-L132 HydrophobicContact SD-CD1 4.33Å; A124-L132 HydrophobicContact CB-CD2 3.93Å; A124-L132 HydrophobicContact CB-CG 4.16Å; F129-L132 HydrophobicContact CB-CB 3.92Å; F129-L132 HydrophobicContact CB-CD2 4.3Å; F129-L132 WeakPolarHBondContact O-CA 3.35Å; F129-L132 WeakPolarHBondContact O-CB 3.43Å; F129-L132 PolarHBondContact O-N 2.7Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.76Å; L132-T134 PolarHBondContact O-N 3.13Å; L132-V135 PolarHBondContact O-N 2.63Å; L132-I136 HydrophobicContact CD1-CD1 3.94Å; L132-I136 HydrophobicContact CD1-CG1 4.15Å; L132-I136 HydrophobicContact CD2-CD1 4.28Å; L132-I136 HydrophobicContact CG-CD1 3.7Å; L132-I136 HydrophobicContact CG-CG1 4.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.32Å; L132-I136 PolarHBondContact O-N 3.3Å
133	E	93.7	Very high	92.7	Very high	31 Å²	31	50.9 Å²	50.9	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-45.5	174.9	-178.3	-173.3	77	0	0	111.9	L121 A124 H125 F129 R130 V135 I136 S137 L161	L121-E133 HydrophobicContact CD1-CG 3.99Å; A124-E133 HydrophobicContact CB-CB 4.49Å; H125-E133 WeakPolarHBondContact CB-OE2 3.5Å; H125-E133 IonicContact CE1-OE2 3.67Å; H125-E133 IonicContact CG-OE2 3.87Å; H125-E133 IonicContact ND1-OE2 2.68Å; H125-E133 PolarHBondContact ND1-OE2 3.05Å; F129-E133 PolarHBondContact O-N 3.19Å; R130-E133 WeakPolarHBondContact O-CB 3.02Å; R130-E133 PolarHBondContact O-N 3.1Å; E133-V135 PolarHBondContact O-N 3.27Å; E133-I136 PolarHBondContact O-N 3.01Å; E133-S137 VanDerWaalsContact O-CB 3.26Å; E133-S137 WeakPolarHBondContact O-CB 3.4Å; E133-S137 PolarHBondContact O-N 2.93Å; E133-S137 PolarHBondContact O-OG 2.84Å; E133-L161 HydrophobicContact CG-CD2 3.93Å
134	T	93.2	Very high	92.5	Very high	88 Å²	88	51.4 Å²	51.4	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-43.9	174.1	-61.8	0	0	0	0	112.4	R130 L132 S137 T138	R130-T134 PolarHBondContact O-N 3.12Å; R130-T134 PolarHBondContact O-OG1 3.46Å; L132-T134 PolarHBondContact O-N 3.13Å; T134-S137 PolarHBondContact O-N 3.28Å; T134-T138 WeakPolarHBondContact O-CB 3.34Å; T134-T138 PolarHBondContact O-N 2.95Å; T134-T138 PolarHBondContact O-OG1 2.64Å
135	V	93.5	Very high	92.3	Very high	91 Å²	91	53.4 Å²	53.4	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-67.7	-42.3	178.7	170.7	0	0	0	0	111.6	S131 L132 E133 T138 Y139	S131-V135 WeakPolarHBondContact O-CG2 3.26Å; S131-V135 PolarHBondContact O-N 3.01Å; L132-V135 PolarHBondContact O-N 2.63Å; E133-V135 PolarHBondContact O-N 3.27Å; V135-T138 WeakPolarHBondContact O-CB 3.32Å; V135-T138 PolarHBondContact O-N 3.28Å; V135-Y139 PolarHBondContact O-N 3.21Å
136	I	94.3	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-42.7	175.7	-66.7	168.8	0	0	0	110.6	L111 T117 I120 L121 A124 L132 E133 T138 Y139 L140	L111-I136 HydrophobicContact CD1-CG1 4.06Å; T117-I136 HydrophobicContact CG2-CG2 3.65Å; I120-I136 HydrophobicContact CB-CD1 4.44Å; I120-I136 HydrophobicContact CG2-CD1 3.59Å; L121-I136 HydrophobicContact CB-CG2 3.98Å; L121-I136 HydrophobicContact CD1-CB 4.25Å; L121-I136 HydrophobicContact CD1-CG2 3.96Å; L121-I136 HydrophobicContact CG-CG2 4.44Å; A124-I136 HydrophobicContact CB-CD1 4.27Å; L132-I136 HydrophobicContact CD1-CD1 3.94Å; L132-I136 HydrophobicContact CD1-CG1 4.15Å; L132-I136 HydrophobicContact CD2-CD1 4.28Å; L132-I136 HydrophobicContact CG-CD1 3.7Å; L132-I136 HydrophobicContact CG-CG1 4.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.32Å; L132-I136 PolarHBondContact O-N 3.3Å; E133-I136 PolarHBondContact O-N 3.01Å; I136-T138 VanDerWaalsContact C-N 3.28Å; I136-T138 PolarHBondContact O-N 3.27Å; I136-Y139 WeakPolarHBondContact O-CB 3.09Å; I136-Y139 PolarHBondContact O-N 3.45Å; I136-L140 HydrophobicContact CG2-CD1 3.86Å; I136-L140 HydrophobicContact CG2-CG 4.14Å; I136-L140 WeakPolarHBondContact O-CB 3.49Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 3.37Å
137	S	93.6	Very high	91.9	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-37.2	176.2	-60.8	0	0	0	0	111.9	E133 T134 L140 T141	E133-S137 VanDerWaalsContact O-CB 3.26Å; E133-S137 WeakPolarHBondContact O-CB 3.4Å; E133-S137 PolarHBondContact O-N 2.93Å; E133-S137 PolarHBondContact O-OG 2.84Å; T134-S137 PolarHBondContact O-N 3.28Å; S137-L140 PolarHBondContact O-N 3.02Å; S137-T141 WeakPolarHBondContact O-CB 3.48Å; S137-T141 PolarHBondContact O-N 3.44Å; S137-T141 PolarHBondContact O-OG1 3.33Å
138	T	92	Very high	91.8	Very high	72 Å²	72	57.8 Å²	57.8	44%	0.442	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-45.4	173.6	-56.3	0	0	0	0	111.2	T134 V135 I136 T141 H142	T134-T138 WeakPolarHBondContact O-CB 3.34Å; T134-T138 PolarHBondContact O-N 2.95Å; T134-T138 PolarHBondContact O-OG1 2.64Å; V135-T138 WeakPolarHBondContact O-CB 3.32Å; V135-T138 PolarHBondContact O-N 3.28Å; I136-T138 VanDerWaalsContact C-N 3.28Å; I136-T138 PolarHBondContact O-N 3.27Å; T138-T141 WeakPolarHBondContact O-CB 3.46Å; T138-T141 PolarHBondContact O-N 3.49Å; T138-H142 PolarHBondContact O-N 2.91Å; T138-H142 PolarHBondContact O-ND1 3.39Å
139	Y	92	Very high	91.8	Very high	72 Å²	72	55 Å²	55	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-47.2	173.7	168.2	-86.2	0	0	0	111.9	L111 T117 V135 I136 T141 H142 S143	L111-Y139 HydrophobicContact CB-CD2 4.35Å; L111-Y139 HydrophobicContact CB-CE1 4.46Å; L111-Y139 HydrophobicContact CB-CE2 4.08Å; L111-Y139 HydrophobicContact CD1-CD1 4.01Å; L111-Y139 HydrophobicContact CD1-CD2 4.12Å; L111-Y139 HydrophobicContact CD1-CG 3.78Å; T117-Y139 HydrophobicContact CG2-CD1 3.84Å; T117-Y139 HydrophobicContact CG2-CE1 3.86Å; V135-Y139 PolarHBondContact O-N 3.21Å; I136-Y139 WeakPolarHBondContact O-CB 3.09Å; I136-Y139 PolarHBondContact O-N 3.45Å; Y139-T141 VanDerWaalsContact C-N 3.32Å; Y139-T141 PolarHBondContact O-N 2.91Å; Y139-H142 PolarHBondContact O-N 3.42Å; Y139-H142 VanDerWaalsContact O-N 3.12Å; Y139-S143 PolarHBondContact O-N 2.85Å
140	L	92.5	Very high	91.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-42	-178.4	-74.1	174.1	0	0	0	111.2	T117 L118 L121 I136 S137 H142 S143 L144 I152 L164	T117-L140 HydrophobicContact CG2-CD2 3.92Å; T117-L140 HydrophobicContact CG2-CG 4.22Å; L118-L140 HydrophobicContact CD2-CD1 4.04Å; L118-L140 HydrophobicContact CD2-CD2 4.4Å; L121-L140 HydrophobicContact CD2-CD1 3.77Å; I136-L140 HydrophobicContact CG2-CD1 3.86Å; I136-L140 HydrophobicContact CG2-CG 4.14Å; I136-L140 WeakPolarHBondContact O-CB 3.49Å; I136-L140 WeakPolarHBondContact O-CG 3.35Å; I136-L140 PolarHBondContact O-N 3.37Å; S137-L140 PolarHBondContact O-N 3.02Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.25Å; L140-S143 WeakPolarHBondContact CA-OG 3.1Å; L140-S143 CarbonylContact O-C 3.57Å; L140-S143 WeakPolarHBondContact O-CA 3.46Å; L140-S143 WeakPolarHBondContact O-CB 3.5Å; L140-S143 PolarHBondContact O-N 3.41Å; L140-S143 PolarHBondContact O-OG 3.15Å; L140-L144 PolarHBondContact O-N 2.91Å; L140-I152 HydrophobicContact CB-CG2 4.3Å; L140-I152 HydrophobicContact CD1-CG2 4.5Å; L140-I152 HydrophobicContact CD2-CD1 4.17Å; L140-I152 HydrophobicContact CD2-CG1 4.3Å; L140-L164 HydrophobicContact CB-CD1 3.91Å; L140-L164 HydrophobicContact CB-CD2 4.39Å; L140-L164 HydrophobicContact CD1-CD2 4.05Å
141	T	92	Very high	91.5	Very high	40 Å²	40	49.7 Å²	49.7	25%	0.245	28%	0.276	C	S	.	.	H	α-helix	trans	-53.9	-45.3	172.8	-64.4	0	0	0	0	112.4	S137 T138 Y139 S143 L144 L164 A167	S137-T141 WeakPolarHBondContact O-CB 3.48Å; S137-T141 PolarHBondContact O-N 3.44Å; S137-T141 PolarHBondContact O-OG1 3.33Å; T138-T141 WeakPolarHBondContact O-CB 3.46Å; T138-T141 PolarHBondContact O-N 3.49Å; Y139-T141 VanDerWaalsContact C-N 3.32Å; Y139-T141 PolarHBondContact O-N 2.91Å; T141-S143 VanDerWaalsContact C-N 3.27Å; T141-S143 PolarHBondContact O-N 2.9Å; T141-L144 WeakPolarHBondContact O-CG 3.48Å; T141-L144 PolarHBondContact O-N 3.32Å; T141-L164 WeakPolarHBondContact OG1-CD1 3.44Å; T141-A167 HydrophobicContact CG2-CB 3.76Å
142	H	89.7	Confident	91.6	Very high	135 Å²	135	45.3 Å²	45.3	63%	0.625	25%	0.245	S	C	*	.	H	α-helix	trans	-72.7	-19.1	177.1	-70.5	86.6	0	0	0	113.8	T138 Y139 L140 K412	T138-H142 PolarHBondContact O-N 2.91Å; T138-H142 PolarHBondContact O-ND1 3.39Å; Y139-H142 PolarHBondContact O-N 3.42Å; Y139-H142 VanDerWaalsContact O-N 3.12Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.25Å; H142-K412 PolarHBondContact O-NZ 3.37Å; H142-K412 VanDerWaalsContact O-NZ 3.15Å
143	S	89.7	Confident	91.6	Very high	28 Å²	28	44.8 Å²	44.8	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.6	179.4	85	0	0	0	0	114.7	Y139 L140 T141 S145 N148	Y139-S143 PolarHBondContact O-N 2.85Å; L140-S143 WeakPolarHBondContact CA-OG 3.1Å; L140-S143 CarbonylContact O-C 3.57Å; L140-S143 WeakPolarHBondContact O-CA 3.46Å; L140-S143 WeakPolarHBondContact O-CB 3.5Å; L140-S143 PolarHBondContact O-N 3.41Å; L140-S143 PolarHBondContact O-OG 3.15Å; T141-S143 VanDerWaalsContact C-N 3.27Å; T141-S143 PolarHBondContact O-N 2.9Å; S143-S145 PolarHBondContact O-N 3.04Å; S143-N148 PolarHBondContact O-ND2 3.17Å
144	L	90.7	Very high	91.4	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	25%	0.247	C	C	.	.			trans	-57.7	133.1	-175.9	-72.6	173.7	0	0	0	112.5	L140 T141 V149 I152 A167 F171	L140-L144 PolarHBondContact O-N 2.91Å; T141-L144 WeakPolarHBondContact O-CG 3.48Å; T141-L144 PolarHBondContact O-N 3.32Å; L144-V149 HydrophobicContact CD2-CB 4.42Å; L144-V149 HydrophobicContact CD2-CG2 4.28Å; L144-I152 HydrophobicContact CD2-CB 4.38Å; L144-I152 HydrophobicContact CD2-CD1 3.84Å; L144-I152 HydrophobicContact CD2-CG2 4.18Å; L144-A167 HydrophobicContact CD1-CB 3.9Å; L144-F171 HydrophobicContact CB-CD2 3.93Å; L144-F171 HydrophobicContact CB-CE2 4.27Å; L144-F171 HydrophobicContact CB-CG 4.31Å; L144-F171 HydrophobicContact CD1-CB 4.28Å
145	S	90	Very high	91.2	Very high	43 Å²	43	43.1 Å²	43.1	30%	0.301	23%	0.23	S	C	.	.			trans	-155.7	162.9	-178.5	74.7	0	0	0	0	110.2	S143 K147 N148 V149 F171	S143-S145 PolarHBondContact O-N 3.04Å; S145-K147 PolarHBondContact O-N 3.11Å; S145-K147 VanDerWaalsContact O-N 3.12Å; S145-K147 PolarHBondContact OG-N 3.39Å; S145-N148 WeakPolarHBondContact CA-OD1 3.44Å; S145-N148 WeakPolarHBondContact CB-OD1 3.37Å; S145-N148 PolarHBondContact N-OD1 2.96Å; S145-N148 PolarHBondContact O-N 3.28Å; S145-N148 PolarHBondContact O-OD1 2.94Å; S145-N148 VanDerWaalsContact OG-CG 3.29Å; S145-N148 PolarHBondContact OG-N 3.41Å; S145-N148 PolarHBondContact OG-OD1 2.92Å; S145-V149 WeakPolarHBondContact O-CB 3.41Å; S145-V149 WeakPolarHBondContact O-CG1 3.37Å; S145-V149 PolarHBondContact O-N 3.01Å; S145-F171 VanDerWaalsContact C-CZ 3.47Å; S145-F171 VanDerWaalsContact CA-CZ 3.45Å
146	V	88.6	Confident	91.2	Very high	57 Å²	57	38.8 Å²	38.8	35%	0.345	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.9	176.7	-171.3	0	0	0	0	112.2	F171 L175 L418	V146-F171 HydrophobicContact CG2-CE1 4.38Å; V146-F171 HydrophobicContact CG2-CZ 4.33Å; V146-L175 HydrophobicContact CG2-CD1 4.15Å; V146-L418 HydrophobicContact CG2-CD2 3.94Å
147	K	86.8	Confident	91.2	Very high	166 Å²	166	39.9 Å²	39.9	72%	0.722	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.1	-177.5	-61.2	-162.5	175.4	-158	0	113.9	S145 R184	S145-K147 PolarHBondContact O-N 3.11Å; S145-K147 VanDerWaalsContact O-N 3.12Å; S145-K147 PolarHBondContact OG-N 3.39Å; K147-R184 PolarHBondContact O-NH1 2.87Å
148	N	90.2	Very high	91.1	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-18.6	-173.8	65.5	-6.8	0	0	0	115.2	S143 S145 W150 C151 I152	S143-N148 PolarHBondContact O-ND2 3.17Å; S145-N148 WeakPolarHBondContact CA-OD1 3.44Å; S145-N148 WeakPolarHBondContact CB-OD1 3.37Å; S145-N148 PolarHBondContact N-OD1 2.96Å; S145-N148 PolarHBondContact O-N 3.28Å; S145-N148 PolarHBondContact O-OD1 2.94Å; S145-N148 VanDerWaalsContact OG-CG 3.29Å; S145-N148 PolarHBondContact OG-N 3.41Å; S145-N148 PolarHBondContact OG-OD1 2.92Å; N148-W150 VanDerWaalsContact C-N 3.3Å; N148-W150 PolarHBondContact O-N 2.74Å; N148-C151 PolarHBondContact O-N 3.17Å; N148-C151 VanDerWaalsContact O-N 3.11Å; N148-I152 HydrophobicContact CB-CD1 3.94Å; N148-I152 WeakPolarHBondContact O-CG1 3.44Å; N148-I152 PolarHBondContact O-N 2.89Å; N148-I152 VanDerWaalsContact O-N 3.09Å
149	V	92.7	Very high	91	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-51.7	-44.2	-174	60.6	0	0	0	0	113.1	L144 S145 C151 I152 Y153 C168 F171 L172	L144-V149 HydrophobicContact CD2-CB 4.42Å; L144-V149 HydrophobicContact CD2-CG2 4.28Å; S145-V149 WeakPolarHBondContact O-CB 3.41Å; S145-V149 WeakPolarHBondContact O-CG1 3.37Å; S145-V149 PolarHBondContact O-N 3.01Å; V149-C151 PolarHBondContact O-N 3.26Å; V149-I152 PolarHBondContact O-N 3.47Å; V149-Y153 VanDerWaalsContact O-CB 3.22Å; V149-Y153 WeakPolarHBondContact O-CB 3.45Å; V149-Y153 PolarHBondContact O-N 3.36Å; V149-C168 HydrophobicContact CG2-CB 4.15Å; V149-F171 HydrophobicContact CB-CD1 4.02Å; V149-F171 HydrophobicContact CB-CE1 4.18Å; V149-F171 HydrophobicContact CG1-CD1 4.18Å; V149-F171 HydrophobicContact CG1-CE1 4.08Å; V149-F171 HydrophobicContact CG2-CD1 3.87Å; V149-L172 HydrophobicContact CG1-CD2 4.07Å; V149-L172 HydrophobicContact CG2-CD1 4.46Å; V149-L172 HydrophobicContact CG2-CD2 4.14Å; V149-L172 HydrophobicContact CG2-CG 4.04Å
150	W	91.7	Very high	91	Very high	9 Å²	9	46.4 Å²	46.4	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-47	179.8	-63.1	118	0	0	0	113.3	N148 I152 Y153 D154 L172 P179 N182 R184 F185 L188 L196	N148-W150 VanDerWaalsContact C-N 3.3Å; N148-W150 PolarHBondContact O-N 2.74Å; W150-I152 VanDerWaalsContact C-N 3.33Å; W150-I152 PolarHBondContact O-N 2.58Å; W150-Y153 PolarHBondContact O-N 3.01Å; W150-D154 PolarHBondContact O-N 3.34Å; W150-D154 VanDerWaalsContact O-N 3.08Å; W150-L172 HydrophobicContact CE3-CD2 4.49Å; W150-L172 HydrophobicContact CH2-CD2 4.08Å; W150-L172 HydrophobicContact CZ2-CD2 4.2Å; W150-L172 HydrophobicContact CZ3-CD1 4.1Å; W150-L172 HydrophobicContact CZ3-CD2 4.19Å; W150-P179 HydrophobicContact CH2-CB 3.68Å; W150-P179 HydrophobicContact CZ2-CB 3.83Å; W150-N182 HydrophobicContact CZ2-CB 3.84Å; W150-N182 PolarHBondContact NE1-OD1 2.89Å; W150-R184 HydrophobicContact CB-CB 4.26Å; W150-R184 HydrophobicContact CD2-CB 4.31Å; W150-R184 HydrophobicContact CG-CB 3.94Å; W150-F185 HydrophobicContact CH2-CB 4.35Å; W150-F185 HydrophobicContact CH2-CD2 4.43Å; W150-L188 HydrophobicContact CE3-CD1 4.39Å; W150-L188 HydrophobicContact CE3-CD2 3.9Å; W150-L188 HydrophobicContact CZ3-CD1 3.81Å; W150-L188 HydrophobicContact CZ3-CD2 4.17Å; W150-L188 HydrophobicContact CZ3-CG 4.47Å; W150-L196 HydrophobicContact CZ3-CD2 4.34Å
151	C	88.8	Confident	91	Very high	55 Å²	55	47 Å²	47	37%	0.372	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-32.2	179.7	-55	0	0	0	0	112.1	L118 N148 V149 M155	L118-C151 HydrophobicContact CD1-CB 3.96Å; N148-C151 PolarHBondContact O-N 3.17Å; N148-C151 VanDerWaalsContact O-N 3.11Å; V149-C151 PolarHBondContact O-N 3.26Å; C151-M155 WeakPolarHBondContact O-CB 3.49Å; C151-M155 WeakPolarHBondContact O-CG 3.44Å; C151-M155 PolarHBondContact O-N 2.87Å
152	I	92.8	Very high	91.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-39.2	174.5	-62.1	166.8	0	0	0	109.9	L118 L140 L144 N148 V149 W150 A156 L164	L118-I152 HydrophobicContact CD2-CG1 4.1Å; L140-I152 HydrophobicContact CB-CG2 4.3Å; L140-I152 HydrophobicContact CD1-CG2 4.5Å; L140-I152 HydrophobicContact CD2-CD1 4.17Å; L140-I152 HydrophobicContact CD2-CG1 4.3Å; L144-I152 HydrophobicContact CD2-CB 4.38Å; L144-I152 HydrophobicContact CD2-CD1 3.84Å; L144-I152 HydrophobicContact CD2-CG2 4.18Å; N148-I152 HydrophobicContact CB-CD1 3.94Å; N148-I152 WeakPolarHBondContact O-CG1 3.44Å; N148-I152 PolarHBondContact O-N 2.89Å; N148-I152 VanDerWaalsContact O-N 3.09Å; V149-I152 PolarHBondContact O-N 3.47Å; W150-I152 VanDerWaalsContact C-N 3.33Å; W150-I152 PolarHBondContact O-N 2.58Å; I152-A156 WeakPolarHBondContact O-CB 3.42Å; I152-A156 PolarHBondContact O-N 3.49Å; I152-L164 HydrophobicContact CG2-CD1 3.76Å; I152-L164 HydrophobicContact CG2-CD2 3.93Å; I152-L164 HydrophobicContact CG2-CG 3.92Å
153	Y	94.9	Very high	91.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-53	-178.2	-179.7	-122.9	0	0	0	112.6	V149 W150 M155 A156 I157 I165 C168 L169 L188 S192 L196	V149-Y153 VanDerWaalsContact O-CB 3.22Å; V149-Y153 WeakPolarHBondContact O-CB 3.45Å; V149-Y153 PolarHBondContact O-N 3.36Å; W150-Y153 PolarHBondContact O-N 3.01Å; Y153-M155 VanDerWaalsContact C-N 3.3Å; Y153-M155 PolarHBondContact O-N 3.35Å; Y153-A156 PolarHBondContact O-N 3.07Å; Y153-A156 VanDerWaalsContact O-N 3.13Å; Y153-I157 HydrophobicContact CD2-CG1 4.17Å; Y153-I157 HydrophobicContact CE1-CG1 4.45Å; Y153-I157 HydrophobicContact CE2-CD1 3.9Å; Y153-I157 HydrophobicContact CE2-CG1 3.81Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 3.1Å; Y153-I165 HydrophobicContact CE2-CG2 4.28Å; Y153-C168 HydrophobicContact CD2-CB 3.75Å; Y153-C168 HydrophobicContact CG-CB 4.26Å; Y153-L169 HydrophobicContact CE2-CD1 4.36Å; Y153-L169 HydrophobicContact CE2-CD2 3.72Å; Y153-L169 HydrophobicContact CE2-CG 3.79Å; Y153-L188 HydrophobicContact CD1-CD2 4.39Å; Y153-S192 PolarHBondContact OH-O 3.47Å; Y153-L196 PolarHBondContact OH-N 3.02Å
154	D	89.2	Confident	91.4	Very high	43 Å²	43	46 Å²	46	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-37.8	178.3	-79	-42.1	0	0	0	112	W150 I157 M158 L188 S192	W150-D154 PolarHBondContact O-N 3.34Å; W150-D154 VanDerWaalsContact O-N 3.08Å; D154-I157 PolarHBondContact O-N 3.13Å; D154-M158 WeakPolarHBondContact O-CB 3.49Å; D154-M158 PolarHBondContact O-N 3.08Å; D154-L188 WeakPolarHBondContact OD1-CD2 3.16Å; D154-L188 WeakPolarHBondContact OD2-CD2 3.41Å; D154-S192 VanDerWaalsContact OD1-CB 3.26Å; D154-S192 WeakPolarHBondContact OD1-CB 3.03Å; D154-S192 PolarHBondContact OD1-OG 3.49Å
155	M	89.9	Confident	91.7	Very high	41 Å²	41	45.6 Å²	45.6	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-39.5	174.5	-68.2	-74.7	-84	0	0	111.8	L118 C122 C151 Y153 M158 Y159	L118-M155 HydrophobicContact CB-CE 4.42Å; L118-M155 HydrophobicContact CD2-CB 4.43Å; L118-M155 HydrophobicContact CD2-CG 4.38Å; C122-M155 HydrophobicContact CB-CE 4.27Å; C151-M155 WeakPolarHBondContact O-CB 3.49Å; C151-M155 WeakPolarHBondContact O-CG 3.44Å; C151-M155 PolarHBondContact O-N 2.87Å; Y153-M155 VanDerWaalsContact C-N 3.3Å; Y153-M155 PolarHBondContact O-N 3.35Å; M155-M158 PolarHBondContact O-N 2.74Å; M155-Y159 HydrophobicContact CB-CE2 4.49Å; M155-Y159 HydrophobicContact CE-CE2 3.76Å; M155-Y159 WeakPolarHBondContact O-CD2 3.45Å; M155-Y159 PolarHBondContact O-N 2.95Å; M155-Y159 VanDerWaalsContact O-N 3.13Å; M155-Y159 HydrophobicContact SD-CE2 4.07Å
156	A	94	Very high	91.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.8	-38.6	176.9	0	0	0	0	0	111.8	I152 Y153 N160 L161 L164 I165	I152-A156 WeakPolarHBondContact O-CB 3.42Å; I152-A156 PolarHBondContact O-N 3.49Å; Y153-A156 PolarHBondContact O-N 3.07Å; Y153-A156 VanDerWaalsContact O-N 3.13Å; A156-N160 PolarHBondContact O-N 3.42Å; A156-N160 VanDerWaalsContact O-N 3.1Å; A156-L161 HydrophobicContact CB-CB 4.27Å; A156-L161 PolarHBondContact O-N 3.23Å; A156-L164 HydrophobicContact CB-CB 4.1Å; A156-L164 HydrophobicContact CB-CD2 3.91Å; A156-L164 HydrophobicContact CB-CG 3.84Å; A156-I165 HydrophobicContact CB-CG1 3.73Å; A156-I165 WeakPolarHBondContact O-CD1 3.38Å
157	I	94	Very high	92.1	Very high	23 Å²	23	44.4 Å²	44.4	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-48.5	170.8	-67.3	-72.5	0	0	0	110.4	Y153 D154 Y159 N160 I165 R195	Y153-I157 HydrophobicContact CD2-CG1 4.17Å; Y153-I157 HydrophobicContact CE1-CG1 4.45Å; Y153-I157 HydrophobicContact CE2-CD1 3.9Å; Y153-I157 HydrophobicContact CE2-CG1 3.81Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 3.1Å; D154-I157 PolarHBondContact O-N 3.13Å; I157-Y159 VanDerWaalsContact C-N 3.28Å; I157-Y159 PolarHBondContact O-N 3.34Å; I157-N160 PolarHBondContact O-N 3.13Å; I157-I165 HydrophobicContact CD1-CD1 3.99Å; I157-I165 HydrophobicContact CD1-CG1 4.04Å; I157-I165 HydrophobicContact CD1-CG2 4.04Å; I157-I165 HydrophobicContact CG1-CG1 4.38Å; I157-R195 HydrophobicContact CD1-CB 4.18Å; I157-R195 HydrophobicContact CD1-CG 3.9Å
158	M	90.1	Very high	92.5	Very high	121 Å²	121	36.5 Å²	36.5	60%	0.596	20%	0.203	S	C	*	.	H	α-helix	trans	-58.4	-35.5	-178.3	-172.5	-178.4	-60.8	0	0	113.7	D154 M155	D154-M158 WeakPolarHBondContact O-CB 3.49Å; D154-M158 PolarHBondContact O-N 3.08Å; M155-M158 PolarHBondContact O-N 2.74Å
159	Y	90.2	Very high	92.7	Very high	38 Å²	38	35.3 Å²	35.3	15%	0.149	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	10.8	-179.9	-54.8	-55.7	0	0	0	114	C122 H125 M155 I157 L161	C122-Y159 HydrophobicContact CB-CE2 4.38Å; C122-Y159 WeakPolarHBondContact CB-OH 3.49Å; C122-Y159 PolarHBondContact SG-OH 3.18Å; H125-Y159 HydrophobicContact CB-CD1 4.34Å; H125-Y159 HydrophobicContact CB-CG 4.45Å; H125-Y159 AromaticContact CD2-CD1 3.34Å; H125-Y159 WeakPolarHBondContact CD2-CD1 3.33Å; H125-Y159 AromaticContact CD2-CE1 3.98Å; H125-Y159 AromaticContact CG-CD1 3.79Å; H125-Y159 AromaticContact NE2-CD1 3.72Å; M155-Y159 HydrophobicContact CB-CE2 4.49Å; M155-Y159 HydrophobicContact CE-CE2 3.76Å; M155-Y159 WeakPolarHBondContact O-CD2 3.45Å; M155-Y159 PolarHBondContact O-N 2.95Å; M155-Y159 VanDerWaalsContact O-N 3.13Å; M155-Y159 HydrophobicContact SD-CE2 4.07Å; I157-Y159 VanDerWaalsContact C-N 3.28Å; I157-Y159 PolarHBondContact O-N 3.34Å; Y159-L161 VanDerWaalsContact C-N 3.34Å; Y159-L161 PolarHBondContact O-N 3.48Å
160	N	92.3	Very high	92.6	Very high	128 Å²	128	37.4 Å²	37.4	68%	0.684	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	42.5	-178.8	-62.8	-58.2	0	0	0	114.7	A156 I157 D162	A156-N160 PolarHBondContact O-N 3.42Å; A156-N160 VanDerWaalsContact O-N 3.1Å; I157-N160 PolarHBondContact O-N 3.13Å; N160-D162 PolarHBondContact O-N 3.33Å
161	L	93.1	Very high	92.6	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.073	21%	0.207	C	C	.	.			trans	-85.6	70.5	-177.4	-56.7	177.5	0	0	0	111.2	L121 E133 A156 Y159 S163 L164 I165	L121-L161 HydrophobicContact CD1-CD1 4.04Å; L121-L161 HydrophobicContact CD2-CD1 3.85Å; L121-L161 HydrophobicContact CG-CD1 4.28Å; E133-L161 HydrophobicContact CG-CD2 3.93Å; A156-L161 HydrophobicContact CB-CB 4.27Å; A156-L161 PolarHBondContact O-N 3.23Å; Y159-L161 VanDerWaalsContact C-N 3.34Å; Y159-L161 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 2.89Å; L161-L164 HydrophobicContact CB-CB 4.11Å; L161-L164 HydrophobicContact CD1-CD2 4.19Å; L161-L164 WeakPolarHBondContact O-CA 3.33Å; L161-L164 WeakPolarHBondContact O-CB 3.49Å; L161-L164 PolarHBondContact O-N 2.82Å; L161-I165 WeakPolarHBondContact O-CG1 3.43Å; L161-I165 PolarHBondContact O-N 3.42Å
162	D	94	Very high	92.8	Very high	94 Å²	94	35.5 Å²	35.5	50%	0.503	19%	0.19	S	C	.	.	H	α-helix	trans	-48.7	-37.7	-168.9	-88.5	-57.1	0	0	0	115.9	N160 T166 R195	N160-D162 PolarHBondContact O-N 3.33Å; D162-T166 VanDerWaalsContact O-CB 3.26Å; D162-T166 WeakPolarHBondContact O-CB 3.48Å; D162-T166 PolarHBondContact O-N 3.24Å; D162-T166 PolarHBondContact O-OG1 2.96Å; D162-R195 IonicContact OD1-NH2 2.74Å
163	S	91.9	Very high	92.7	Very high	89 Å²	89	35.5 Å²	35.5	62%	0.622	19%	0.19	S	C	*	.	H	α-helix	trans	-67.4	-41.8	177	55.6	0	0	0	0	112.3	L161 T166 A167	L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 2.89Å; S163-T166 PolarHBondContact O-N 3.12Å; S163-A167 WeakPolarHBondContact O-CB 3.34Å; S163-A167 PolarHBondContact O-N 2.87Å
164	L	94.1	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74	-37.7	176.9	-174.5	60.5	0	0	0	111.6	L121 L140 T141 I152 A156 L161 T166 A167 C168	L121-L164 HydrophobicContact CD2-CD2 4.42Å; L140-L164 HydrophobicContact CB-CD1 3.91Å; L140-L164 HydrophobicContact CB-CD2 4.39Å; L140-L164 HydrophobicContact CD1-CD2 4.05Å; T141-L164 WeakPolarHBondContact OG1-CD1 3.44Å; I152-L164 HydrophobicContact CG2-CD1 3.76Å; I152-L164 HydrophobicContact CG2-CD2 3.93Å; I152-L164 HydrophobicContact CG2-CG 3.92Å; A156-L164 HydrophobicContact CB-CB 4.1Å; A156-L164 HydrophobicContact CB-CD2 3.91Å; A156-L164 HydrophobicContact CB-CG 3.84Å; L161-L164 HydrophobicContact CB-CB 4.11Å; L161-L164 HydrophobicContact CD1-CD2 4.19Å; L161-L164 WeakPolarHBondContact O-CA 3.33Å; L161-L164 WeakPolarHBondContact O-CB 3.49Å; L161-L164 PolarHBondContact O-N 2.82Å; L164-T166 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 3.11Å; L164-C168 WeakPolarHBondContact O-CB 3.31Å; L164-C168 PolarHBondContact O-N 2.79Å; L164-C168 PolarHBondContact O-SG 2.83Å
165	I	96.5	Very high	92.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-52.2	168.7	-68.9	166.7	0	0	0	109.2	Y153 A156 I157 L161 A167 C168 L169 R195	Y153-I165 HydrophobicContact CE2-CG2 4.28Å; A156-I165 HydrophobicContact CB-CG1 3.73Å; A156-I165 WeakPolarHBondContact O-CD1 3.38Å; I157-I165 HydrophobicContact CD1-CD1 3.99Å; I157-I165 HydrophobicContact CD1-CG1 4.04Å; I157-I165 HydrophobicContact CD1-CG2 4.04Å; I157-I165 HydrophobicContact CG1-CG1 4.38Å; L161-I165 WeakPolarHBondContact O-CG1 3.43Å; L161-I165 PolarHBondContact O-N 3.42Å; I165-A167 PolarHBondContact O-N 2.94Å; I165-C168 PolarHBondContact O-N 3.2Å; I165-L169 HydrophobicContact CG2-CD1 3.61Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 WeakPolarHBondContact O-CB 3.48Å; I165-L169 VanDerWaalsContact O-CG 3.25Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.33Å; I165-R195 HydrophobicContact CG2-CG 4.48Å
166	T	94.2	Very high	92.3	Very high	65 Å²	65	33.6 Å²	33.6	40%	0.399	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-40	-179	-60	0	0	0	0	112.1	D162 S163 L164 L169 R170	D162-T166 VanDerWaalsContact O-CB 3.26Å; D162-T166 WeakPolarHBondContact O-CB 3.48Å; D162-T166 PolarHBondContact O-N 3.24Å; D162-T166 PolarHBondContact O-OG1 2.96Å; S163-T166 PolarHBondContact O-N 3.12Å; L164-T166 VanDerWaalsContact C-N 3.34Å; T166-L169 PolarHBondContact O-N 3.23Å; T166-R170 WeakPolarHBondContact O-CG 3.4Å; T166-R170 PolarHBondContact O-N 2.96Å
167	A	92.1	Very high	92.2	Very high	10 Å²	10	35.8 Å²	35.8	8%	0.083	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-44.9	175.1	0	0	0	0	0	112.7	T141 L144 S163 L164 I165 L169 R170 F171	T141-A167 HydrophobicContact CG2-CB 3.76Å; L144-A167 HydrophobicContact CD1-CB 3.9Å; S163-A167 WeakPolarHBondContact O-CB 3.34Å; S163-A167 PolarHBondContact O-N 2.87Å; L164-A167 PolarHBondContact O-N 3.11Å; I165-A167 PolarHBondContact O-N 2.94Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.39Å; A167-R170 PolarHBondContact O-N 2.93Å; A167-F171 WeakPolarHBondContact O-CB 3.21Å; A167-F171 PolarHBondContact O-N 3.16Å
168	C	95.1	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-43.2	175.3	-66.3	0	0	0	0	111.5	V149 Y153 L164 I165 F171 L172	V149-C168 HydrophobicContact CG2-CB 4.15Å; Y153-C168 HydrophobicContact CD2-CB 3.75Å; Y153-C168 HydrophobicContact CG-CB 4.26Å; L164-C168 WeakPolarHBondContact O-CB 3.31Å; L164-C168 PolarHBondContact O-N 2.79Å; L164-C168 PolarHBondContact O-SG 2.83Å; I165-C168 PolarHBondContact O-N 3.2Å; C168-F171 WeakPolarHBondContact O-CB 3.25Å; C168-F171 PolarHBondContact O-N 2.98Å; C168-L172 WeakPolarHBondContact O-CG 3.4Å; C168-L172 PolarHBondContact O-N 2.95Å
169	L	95.2	Very high	92.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-45.2	179	-73.8	171.1	0	0	0	112.6	Y153 I165 T166 A167 F171 L172 D173 R195 L196	Y153-L169 HydrophobicContact CE2-CD1 4.36Å; Y153-L169 HydrophobicContact CE2-CD2 3.72Å; Y153-L169 HydrophobicContact CE2-CG 3.79Å; I165-L169 HydrophobicContact CG2-CD1 3.61Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 WeakPolarHBondContact O-CB 3.48Å; I165-L169 VanDerWaalsContact O-CG 3.25Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.33Å; T166-L169 PolarHBondContact O-N 3.23Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.39Å; L169-F171 VanDerWaalsContact C-N 3.26Å; L169-F171 PolarHBondContact O-N 3.32Å; L169-L172 PolarHBondContact O-N 3.02Å; L169-D173 VanDerWaalsContact O-CG 3.25Å; L169-D173 PolarHBondContact O-N 3.23Å; L169-R195 HydrophobicContact CD1-CG 4.29Å; L169-L196 HydrophobicContact CD2-CB 4.27Å; L169-L196 HydrophobicContact CD2-CD1 3.71Å
170	R	90.9	Very high	92.3	Very high	46 Å²	46	30 Å²	30	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-32.7	173.4	-72.7	176.2	74.1	172.8	-1.6	112.1	T166 A167 C174 E407 L408	T166-R170 WeakPolarHBondContact O-CG 3.4Å; T166-R170 PolarHBondContact O-N 2.96Å; A167-R170 PolarHBondContact O-N 2.93Å; R170-C174 PolarHBondContact O-SG 3.25Å; R170-E407 IonicContact CZ-OE1 3.7Å; R170-E407 IonicContact CZ-OE2 3.69Å; R170-E407 IonicContact NH1-OE1 2.69Å; R170-E407 PolarHBondContact NH1-OE1 3.02Å; R170-E407 IonicContact NH1-OE2 3.89Å; R170-E407 PolarHBondContact NH1-OE2 3.48Å; R170-E407 VanDerWaalsContact NH2-CD 3.3Å; R170-E407 IonicContact NH2-OE1 3.76Å; R170-E407 PolarHBondContact NH2-OE1 3.49Å; R170-E407 IonicContact NH2-OE2 3.37Å; R170-E407 PolarHBondContact NH2-OE2 3.01Å; R170-L408 HydrophobicContact CB-CD1 3.97Å
171	F	91.2	Very high	92.3	Very high	23 Å²	23	31.1 Å²	31.1	10%	0.101	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-43.5	172.7	-174.6	-85.4	0	0	0	112	L144 S145 V146 V149 A167 C168 L169 C174 L175 L413	L144-F171 HydrophobicContact CB-CD2 3.93Å; L144-F171 HydrophobicContact CB-CE2 4.27Å; L144-F171 HydrophobicContact CB-CG 4.31Å; L144-F171 HydrophobicContact CD1-CB 4.28Å; S145-F171 VanDerWaalsContact C-CZ 3.47Å; S145-F171 VanDerWaalsContact CA-CZ 3.45Å; V146-F171 HydrophobicContact CG2-CE1 4.38Å; V146-F171 HydrophobicContact CG2-CZ 4.33Å; V149-F171 HydrophobicContact CB-CD1 4.02Å; V149-F171 HydrophobicContact CB-CE1 4.18Å; V149-F171 HydrophobicContact CG1-CD1 4.18Å; V149-F171 HydrophobicContact CG1-CE1 4.08Å; V149-F171 HydrophobicContact CG2-CD1 3.87Å; A167-F171 WeakPolarHBondContact O-CB 3.21Å; A167-F171 PolarHBondContact O-N 3.16Å; C168-F171 WeakPolarHBondContact O-CB 3.25Å; C168-F171 PolarHBondContact O-N 2.98Å; L169-F171 VanDerWaalsContact C-N 3.26Å; L169-F171 PolarHBondContact O-N 3.32Å; F171-C174 PolarHBondContact O-N 3.43Å; F171-L175 HydrophobicContact CD1-CD1 4.25Å; F171-L175 HydrophobicContact CE1-CD1 3.85Å; F171-L413 HydrophobicContact CD2-CD2 4.49Å; F171-L413 HydrophobicContact CE2-CD2 3.76Å; F171-L413 HydrophobicContact CE2-CG 4.36Å; F171-L413 HydrophobicContact CZ-CD2 3.9Å
172	L	93.2	Very high	92.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-36.2	178	-70.5	170.1	0	0	0	112.8	V149 W150 C168 L169 C174 L175 A176 P179 L196	V149-L172 HydrophobicContact CG1-CD2 4.07Å; V149-L172 HydrophobicContact CG2-CD1 4.46Å; V149-L172 HydrophobicContact CG2-CD2 4.14Å; V149-L172 HydrophobicContact CG2-CG 4.04Å; W150-L172 HydrophobicContact CE3-CD2 4.49Å; W150-L172 HydrophobicContact CH2-CD2 4.08Å; W150-L172 HydrophobicContact CZ2-CD2 4.2Å; W150-L172 HydrophobicContact CZ3-CD1 4.1Å; W150-L172 HydrophobicContact CZ3-CD2 4.19Å; C168-L172 WeakPolarHBondContact O-CG 3.4Å; C168-L172 PolarHBondContact O-N 2.95Å; L169-L172 PolarHBondContact O-N 3.02Å; L172-C174 VanDerWaalsContact C-N 3.28Å; L172-C174 PolarHBondContact O-N 3.06Å; L172-L175 WeakPolarHBondContact O-CA 3.35Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 3.3Å; L172-A176 PolarHBondContact O-N 3.45Å; L172-P179 HydrophobicContact CD2-CB 4.24Å; L172-P179 HydrophobicContact CD2-CG 4.05Å; L172-L196 HydrophobicContact CB-CD1 4.25Å; L172-L196 HydrophobicContact CD1-CD1 3.97Å; L172-L196 HydrophobicContact CD1-CD2 4.45Å
173	D	91.2	Very high	92	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.011	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-36.8	176.5	-69.3	-14.8	0	0	0	112.5	L169 L175 A176 R199 S201	L169-D173 VanDerWaalsContact O-CG 3.25Å; L169-D173 PolarHBondContact O-N 3.23Å; D173-L175 PolarHBondContact O-N 3.46Å; D173-A176 WeakPolarHBondContact O-CB 3.49Å; D173-A176 PolarHBondContact O-N 3.33Å; D173-R199 VanDerWaalsContact CG-NH1 3.34Å; D173-R199 IonicContact OD1-CZ 2.75Å; D173-R199 IonicContact OD1-NH1 3.24Å; D173-R199 PolarHBondContact OD1-NH1 3.49Å; D173-R199 IonicContact OD1-NH2 2.72Å; D173-R199 IonicContact OD2-CZ 3.57Å; D173-R199 IonicContact OD2-NH1 2.9Å; D173-R199 PolarHBondContact OD2-NH1 2.86Å; D173-R199 VanDerWaalsContact OD2-NH1 3.16Å; D173-R199 IonicContact OD2-NH2 3.43Å; D173-R199 PolarHBondContact OD2-NH2 2.9Å; D173-S201 VanDerWaalsContact OD2-CB 3.27Å; D173-S201 WeakPolarHBondContact OD2-CB 3.49Å; D173-S201 PolarHBondContact OD2-OG 2.9Å
174	C	85.4	Confident	91.9	Very high	23 Å²	23	31.7 Å²	31.7	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.4	174.2	-68.4	0	0	0	0	113.6	R170 F171 L172 L413	R170-C174 PolarHBondContact O-SG 3.25Å; F171-C174 PolarHBondContact O-N 3.43Å; L172-C174 VanDerWaalsContact C-N 3.28Å; L172-C174 PolarHBondContact O-N 3.06Å; C174-L413 HydrophobicContact CB-CD1 3.72Å
175	L	88.7	Confident	91.8	Very high	20 Å²	20	31.7 Å²	31.7	11%	0.105	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-13.3	177.7	-53.2	-177.3	0	0	0	112.9	V146 F171 L172 D173 A178 P179 L413 L418	V146-L175 HydrophobicContact CG2-CD1 4.15Å; F171-L175 HydrophobicContact CD1-CD1 4.25Å; F171-L175 HydrophobicContact CE1-CD1 3.85Å; L172-L175 WeakPolarHBondContact O-CA 3.35Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 3.3Å; D173-L175 PolarHBondContact O-N 3.46Å; L175-A178 VanDerWaalsContact O-CB 3.25Å; L175-A178 WeakPolarHBondContact O-CB 3.17Å; L175-A178 PolarHBondContact O-N 3.24Å; L175-P179 HydrophobicContact CB-CG 3.77Å; L175-P179 WeakPolarHBondContact O-CD 3.34Å; L175-L413 HydrophobicContact CD2-CD2 4.19Å; L175-L418 HydrophobicContact CD2-CD1 3.51Å; L175-L418 HydrophobicContact CD2-CD2 3.68Å; L175-L418 HydrophobicContact CD2-CG 4.26Å
176	A	90.1	Very high	91.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	135.6	-172.7	0	0	0	0	0	112.8	L172 D173 F202 C203 K619	L172-A176 PolarHBondContact O-N 3.45Å; D173-A176 WeakPolarHBondContact O-CB 3.49Å; D173-A176 PolarHBondContact O-N 3.33Å; A176-F202 HydrophobicContact CB-CD2 4.1Å; A176-F202 HydrophobicContact CB-CE2 3.89Å; A176-F202 HydrophobicContact CB-CZ 4.12Å; A176-C203 HydrophobicContact CB-CB 4.48Å; A176-C203 WeakPolarHBondContact CB-O 3.33Å; A176-K619 PolarHBondContact O-NZ 3.23Å
177	P	92.4	Very high	91.4	Very high	46 Å²	46	39.6 Å²	39.6	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.9	-2	8.5	35.4	-37.8	0	0	0	116	P179 L180 Y181 A204 E208	P177-P179 VanDerWaalsContact C-N 3.32Å; P177-P179 WeakPolarHBondContact O-CD 3.43Å; P177-L180 HydrophobicContact CB-CD1 4.46Å; P177-L180 WeakPolarHBondContact O-CB 3.32Å; P177-L180 WeakPolarHBondContact O-CG 3.22Å; P177-L180 PolarHBondContact O-N 3.2Å; P177-Y181 HydrophobicContact CB-CE2 4.47Å; P177-A204 HydrophobicContact CB-CB 3.65Å; P177-E208 WeakPolarHBondContact CB-OE1 3.36Å
178	A	91.9	Very high	91.3	Very high	42 Å²	42	39.4 Å²	39.4	35%	0.347	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-50.9	-33.1	-169.2	0	0	0	0	0	116.9	L175 L180 Y181	L175-A178 VanDerWaalsContact O-CB 3.25Å; L175-A178 WeakPolarHBondContact O-CB 3.17Å; L175-A178 PolarHBondContact O-N 3.24Å; A178-L180 PolarHBondContact O-N 3Å; A178-Y181 PolarHBondContact O-N 3.25Å; A178-Y181 VanDerWaalsContact O-N 3.17Å
179	P	91.9	Very high	91	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.032	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.9	175.8	-29.8	38.3	0	0	0	115.2	W150 L172 L175 P177 Y181 N182 F202	W150-P179 HydrophobicContact CH2-CB 3.68Å; W150-P179 HydrophobicContact CZ2-CB 3.83Å; L172-P179 HydrophobicContact CD2-CB 4.24Å; L172-P179 HydrophobicContact CD2-CG 4.05Å; L175-P179 HydrophobicContact CB-CG 3.77Å; L175-P179 WeakPolarHBondContact O-CD 3.34Å; P177-P179 VanDerWaalsContact C-N 3.32Å; P177-P179 WeakPolarHBondContact O-CD 3.43Å; P179-Y181 PolarHBondContact O-N 3.26Å; P179-N182 PolarHBondContact O-N 3.1Å; P179-F202 HydrophobicContact CB-CE2 4.24Å; P179-F202 HydrophobicContact CB-CZ 4.22Å; P179-F202 HydrophobicContact CG-CE2 4.17Å; P179-F202 HydrophobicContact CG-CZ 4.41Å
180	L	93.5	Very high	90.8	Very high	12 Å²	12	44 Å²	44	6%	0.063	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.5	179.1	-64.2	-179.2	0	0	0	113.3	P177 A178 F185 L197 F202 A204 E208 I209 A212	P177-L180 HydrophobicContact CB-CD1 4.46Å; P177-L180 WeakPolarHBondContact O-CB 3.32Å; P177-L180 WeakPolarHBondContact O-CG 3.22Å; P177-L180 PolarHBondContact O-N 3.2Å; A178-L180 PolarHBondContact O-N 3Å; L180-F185 HydrophobicContact CD2-CE2 4.43Å; L180-L197 HydrophobicContact CD2-CD2 3.79Å; L180-F202 HydrophobicContact CD1-CE1 4.14Å; L180-F202 HydrophobicContact CD2-CE1 3.76Å; L180-F202 HydrophobicContact CD2-CZ 4.03Å; L180-F202 HydrophobicContact CG-CE1 3.84Å; L180-F202 HydrophobicContact CG-CZ 3.99Å; L180-A204 HydrophobicContact CD1-CB 3.83Å; L180-E208 HydrophobicContact CD1-CB 3.72Å; L180-I209 HydrophobicContact CD1-CG1 4.04Å; L180-A212 HydrophobicContact CB-CB 4.05Å; L180-A212 HydrophobicContact CD2-CB 3.87Å; L180-A212 HydrophobicContact CG-CB 4.37Å
181	Y	92.3	Very high	90.8	Very high	152 Å²	152	45 Å²	45	60%	0.596	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-94.4	-3	-176.2	-56.9	-83.8	0	0	0	112.9	P177 A178 P179 E208	P177-Y181 HydrophobicContact CB-CE2 4.47Å; A178-Y181 PolarHBondContact O-N 3.25Å; A178-Y181 VanDerWaalsContact O-N 3.17Å; P179-Y181 PolarHBondContact O-N 3.26Å; Y181-E208 WeakPolarHBondContact OH-CG 3.42Å; Y181-E208 PolarHBondContact OH-OE1 3.2Å
182	N	90.4	Very high	90.9	Very high	40 Å²	40	44 Å²	44	21%	0.214	23%	0.229	C	C	.	.	S	Bend	trans	-78.4	131.6	-176.7	-168.1	-78.7	0	0	0	111.3	W150 P179 R184 F185	W150-N182 HydrophobicContact CZ2-CB 3.84Å; W150-N182 PolarHBondContact NE1-OD1 2.89Å; P179-N182 PolarHBondContact O-N 3.1Å; N182-R184 PolarHBondContact O-N 3.22Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 PolarHBondContact OD1-N 2.91Å; N182-F185 VanDerWaalsContact O-CB 3.24Å; N182-F185 WeakPolarHBondContact O-CB 3.44Å; N182-F185 PolarHBondContact O-N 3Å
183	P	91.1	Very high	91	Very high	94 Å²	94	43.9 Å²	43.9	61%	0.61	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.5	179.4	-28.8	36.2	0	0	0	115.7
184	R	89.3	Confident	91.1	Very high	76 Å²	76	45.4 Å²	45.4	29%	0.287	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.4	172.9	-67.6	-170.1	-178.8	158.2	5.1	113.4	K147 W150 N182 L186 R187 L188	K147-R184 PolarHBondContact O-NH1 2.87Å; W150-R184 HydrophobicContact CB-CB 4.26Å; W150-R184 HydrophobicContact CD2-CB 4.31Å; W150-R184 HydrophobicContact CG-CB 3.94Å; N182-R184 PolarHBondContact O-N 3.22Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 PolarHBondContact OD1-N 2.91Å; R184-L186 PolarHBondContact O-N 3.41Å; R184-R187 PolarHBondContact O-N 3.01Å; R184-L188 PolarHBondContact O-N 2.8Å
185	F	92	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-56	-39.8	175.3	177.1	-95.4	0	0	0	111.3	W150 L180 N182 R187 L188 V193 L196 L197 A212 W216	W150-F185 HydrophobicContact CH2-CB 4.35Å; W150-F185 HydrophobicContact CH2-CD2 4.43Å; L180-F185 HydrophobicContact CD2-CE2 4.43Å; N182-F185 VanDerWaalsContact O-CB 3.24Å; N182-F185 WeakPolarHBondContact O-CB 3.44Å; N182-F185 PolarHBondContact O-N 3Å; F185-R187 PolarHBondContact O-N 3.12Å; F185-R187 VanDerWaalsContact O-N 3.17Å; F185-L188 HydrophobicContact CB-CD1 4.48Å; F185-L188 HydrophobicContact CD2-CD1 3.55Å; F185-L188 HydrophobicContact CE2-CD1 4.04Å; F185-L188 HydrophobicContact CG-CD1 4.26Å; F185-L188 WeakPolarHBondContact O-CB 3.42Å; F185-L188 WeakPolarHBondContact O-CG 3.23Å; F185-L188 PolarHBondContact O-N 2.82Å; F185-V193 HydrophobicContact CE2-CG1 4.32Å; F185-V193 HydrophobicContact CE2-CG2 4.34Å; F185-V193 HydrophobicContact CZ-CG1 3.97Å; F185-V193 HydrophobicContact CZ-CG2 4.34Å; F185-L196 HydrophobicContact CD2-CD2 4.37Å; F185-L196 HydrophobicContact CE2-CD2 4.26Å; F185-L197 HydrophobicContact CE2-CD1 4.17Å; F185-L197 HydrophobicContact CZ-CD1 3.85Å; F185-A212 HydrophobicContact CE1-CB 3.87Å; F185-A212 HydrophobicContact CZ-CB 4.34Å; F185-W216 HydrophobicContact CE1-CB 3.99Å
186	L	92	Very high	91.8	Very high	58 Å²	58	48.6 Å²	48.6	30%	0.304	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.5	-15.7	177.3	-59.3	178.8	0	0	0	114.3	R184 A215 W216 N219	R184-L186 PolarHBondContact O-N 3.41Å; L186-A215 HydrophobicContact CD2-CB 3.76Å; L186-W216 HydrophobicContact CD2-CB 4.39Å; L186-N219 HydrophobicContact CB-CB 4.34Å; L186-N219 PolarHBondContact O-ND2 2.77Å
187	R	89.3	Confident	92.1	Very high	177 Å²	177	48.5 Å²	48.5	67%	0.668	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-103.5	-3.6	-178.8	-57.8	-173.3	-175.9	-177.4	1.8	113.8	R184 F185	R184-R187 PolarHBondContact O-N 3.01Å; F185-R187 PolarHBondContact O-N 3.12Å; F185-R187 VanDerWaalsContact O-N 3.17Å
188	L	90.9	Very high	92.1	Very high	6 Å²	6	48 Å²	48	3%	0.031	24%	0.24	C	C	.	.	S	Bend	trans	-61.9	150.3	179	-67.5	177.8	0	0	0	111.9	W150 Y153 D154 R184 F185 V193 W216	W150-L188 HydrophobicContact CE3-CD1 4.39Å; W150-L188 HydrophobicContact CE3-CD2 3.9Å; W150-L188 HydrophobicContact CZ3-CD1 3.81Å; W150-L188 HydrophobicContact CZ3-CD2 4.17Å; W150-L188 HydrophobicContact CZ3-CG 4.47Å; Y153-L188 HydrophobicContact CD1-CD2 4.39Å; D154-L188 WeakPolarHBondContact OD1-CD2 3.16Å; D154-L188 WeakPolarHBondContact OD2-CD2 3.41Å; R184-L188 PolarHBondContact O-N 2.8Å; F185-L188 HydrophobicContact CB-CD1 4.48Å; F185-L188 HydrophobicContact CD2-CD1 3.55Å; F185-L188 HydrophobicContact CE2-CD1 4.04Å; F185-L188 HydrophobicContact CG-CD1 4.26Å; F185-L188 WeakPolarHBondContact O-CB 3.42Å; F185-L188 WeakPolarHBondContact O-CG 3.23Å; F185-L188 PolarHBondContact O-N 2.82Å; L188-V193 HydrophobicContact CB-CG2 3.71Å; L188-V193 HydrophobicContact CD1-CG2 4.08Å; L188-W216 PolarHBondContact O-NE1 3.45Å
189	S	89	Confident	92.2	Very high	52 Å²	52	48.1 Å²	48.1	36%	0.364	23%	0.231	S	C	.	.			trans	-63.8	158.6	168.9	88.5	0	0	0	0	111.4	S191 S192 V193	S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.15Å; S189-S192 WeakPolarHBondContact O-CB 3.3Å; S189-S192 PolarHBondContact O-N 2.98Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S189-S192 WeakPolarHBondContact OG-CB 3.22Å; S189-S192 PolarHBondContact OG-N 3.32Å; S189-S192 PolarHBondContact OG-OG 3.11Å; S189-V193 PolarHBondContact O-N 3.46Å
190	Q	90.3	Very high	92.3	Very high	48 Å²	48	51.8 Å²	51.8	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-54.6	-50.3	175.7	-179.2	176.5	-24.6	0	0	111.5	S192 V193 E194 W216 R317 M321	Q190-S192 VanDerWaalsContact C-N 3.26Å; Q190-S192 PolarHBondContact O-N 3.35Å; Q190-V193 PolarHBondContact O-N 3.06Å; Q190-E194 HydrophobicContact CG-CG 4.34Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.41Å; Q190-E194 PolarHBondContact NE2-OE1 2.75Å; Q190-E194 WeakPolarHBondContact O-CG 3.21Å; Q190-E194 PolarHBondContact O-N 3.14Å; Q190-W216 HydrophobicContact CB-CH2 3.81Å; Q190-W216 HydrophobicContact CB-CZ2 4.09Å; Q190-W216 HydrophobicContact CG-CH2 3.98Å; Q190-R317 VanDerWaalsContact OE1-CZ 3.22Å; Q190-M321 HydrophobicContact CG-SD 3.56Å; Q190-M321 VanDerWaalsContact CG-SD 3.56Å
191	S	90.9	Very high	92.3	Very high	68 Å²	68	51.5 Å²	51.5	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-32.3	178.8	-49.8	0	0	0	0	112.5	S189 R195	S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.15Å; S191-R195 WeakPolarHBondContact O-CB 3.4Å; S191-R195 PolarHBondContact O-N 3.43Å
192	S	93.6	Very high	92.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-38.1	172.4	-55.8	0	0	0	0	111.9	Y153 D154 S189 Q190 L196	Y153-S192 PolarHBondContact OH-O 3.47Å; D154-S192 VanDerWaalsContact OD1-CB 3.26Å; D154-S192 WeakPolarHBondContact OD1-CB 3.03Å; D154-S192 PolarHBondContact OD1-OG 3.49Å; S189-S192 WeakPolarHBondContact O-CB 3.3Å; S189-S192 PolarHBondContact O-N 2.98Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S189-S192 WeakPolarHBondContact OG-CB 3.22Å; S189-S192 PolarHBondContact OG-N 3.32Å; S189-S192 PolarHBondContact OG-OG 3.11Å; Q190-S192 VanDerWaalsContact C-N 3.26Å; Q190-S192 PolarHBondContact O-N 3.35Å; S192-L196 VanDerWaalsContact O-CB 3.3Å; S192-L196 WeakPolarHBondContact O-CB 3.5Å; S192-L196 PolarHBondContact O-N 3.46Å
193	V	94.3	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.2	-48.7	176.3	178.3	0	0	0	0	111.1	F185 L188 S189 Q190 R195 L196 L197 W216 M321	F185-V193 HydrophobicContact CE2-CG1 4.32Å; F185-V193 HydrophobicContact CE2-CG2 4.34Å; F185-V193 HydrophobicContact CZ-CG1 3.97Å; F185-V193 HydrophobicContact CZ-CG2 4.34Å; L188-V193 HydrophobicContact CB-CG2 3.71Å; L188-V193 HydrophobicContact CD1-CG2 4.08Å; S189-V193 PolarHBondContact O-N 3.46Å; Q190-V193 PolarHBondContact O-N 3.06Å; V193-R195 VanDerWaalsContact C-N 3.35Å; V193-R195 PolarHBondContact O-N 3.07Å; V193-L196 PolarHBondContact O-N 3.12Å; V193-L197 HydrophobicContact CG1-CD1 3.74Å; V193-L197 HydrophobicContact CG1-CG 4.35Å; V193-L197 WeakPolarHBondContact O-CB 3.47Å; V193-L197 PolarHBondContact O-N 3.43Å; V193-W216 HydrophobicContact CG2-CD2 4.04Å; V193-W216 HydrophobicContact CG2-CG 4.11Å; V193-W216 HydrophobicContact CG2-CZ2 4.3Å; V193-M321 HydrophobicContact CB-CE 4.3Å; V193-M321 HydrophobicContact CG1-CE 3.78Å
194	E	93.5	Very high	92.6	Very high	33 Å²	33	39.6 Å²	39.6	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-45.2	177.3	-69.4	166.4	168	0	0	111.7	Q190 L196 S198 M321 Q324	Q190-E194 HydrophobicContact CG-CG 4.34Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.41Å; Q190-E194 PolarHBondContact NE2-OE1 2.75Å; Q190-E194 WeakPolarHBondContact O-CG 3.21Å; Q190-E194 PolarHBondContact O-N 3.14Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 2.86Å; E194-S198 VanDerWaalsContact O-CB 3.23Å; E194-S198 WeakPolarHBondContact O-CB 3.36Å; E194-S198 PolarHBondContact O-N 3.47Å; E194-S198 PolarHBondContact O-OG 3.01Å; E194-M321 HydrophobicContact CG-CE 4.17Å; E194-M321 HydrophobicContact CG-SD 3.57Å; E194-M321 VanDerWaalsContact CG-SD 3.57Å; E194-M321 VanDerWaalsContact OE1-SD 3.39Å; E194-Q324 HydrophobicContact CB-CG 4.36Å; E194-Q324 HydrophobicContact CG-CG 4.26Å
195	R	94.1	Very high	92.8	Very high	110 Å²	110	38.4 Å²	38.4	42%	0.415	20%	0.198	S	C	.	.	H	α-helix	trans	-72.1	-25.5	-178.3	-173.2	58	161.4	165.9	-5.7	113	I157 D162 I165 L169 S191 V193 R199	I157-R195 HydrophobicContact CD1-CB 4.18Å; I157-R195 HydrophobicContact CD1-CG 3.9Å; D162-R195 IonicContact OD1-NH2 2.74Å; I165-R195 HydrophobicContact CG2-CG 4.48Å; L169-R195 HydrophobicContact CD1-CG 4.29Å; S191-R195 WeakPolarHBondContact O-CB 3.4Å; S191-R195 PolarHBondContact O-N 3.43Å; V193-R195 VanDerWaalsContact C-N 3.35Å; V193-R195 PolarHBondContact O-N 3.07Å; R195-R199 WeakPolarHBondContact O-CD 3.45Å
196	L	95.5	Very high	92.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-77.4	-50.8	171.3	178.3	59.5	0	0	0	111.3	W150 Y153 L169 L172 F185 S192 V193 E194 F202	W150-L196 HydrophobicContact CZ3-CD2 4.34Å; Y153-L196 PolarHBondContact OH-N 3.02Å; L169-L196 HydrophobicContact CD2-CB 4.27Å; L169-L196 HydrophobicContact CD2-CD1 3.71Å; L172-L196 HydrophobicContact CB-CD1 4.25Å; L172-L196 HydrophobicContact CD1-CD1 3.97Å; L172-L196 HydrophobicContact CD1-CD2 4.45Å; F185-L196 HydrophobicContact CD2-CD2 4.37Å; F185-L196 HydrophobicContact CE2-CD2 4.26Å; S192-L196 VanDerWaalsContact O-CB 3.3Å; S192-L196 WeakPolarHBondContact O-CB 3.5Å; S192-L196 PolarHBondContact O-N 3.46Å; V193-L196 PolarHBondContact O-N 3.12Å; E194-L196 VanDerWaalsContact C-N 3.34Å; E194-L196 PolarHBondContact O-N 2.86Å; L196-F202 HydrophobicContact CD1-CD2 3.86Å; L196-F202 HydrophobicContact CD1-CE2 4.06Å; L196-F202 HydrophobicContact CG-CD2 4.48Å
197	L	95.6	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-92.4	-8.1	-167.2	-61.1	-176.9	0	0	0	115.8	L180 F185 V193 R199 F202 I209 V213 C325 R368	L180-L197 HydrophobicContact CD2-CD2 3.79Å; F185-L197 HydrophobicContact CE2-CD1 4.17Å; F185-L197 HydrophobicContact CZ-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CD1 3.74Å; V193-L197 HydrophobicContact CG1-CG 4.35Å; V193-L197 WeakPolarHBondContact O-CB 3.47Å; V193-L197 PolarHBondContact O-N 3.43Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-F202 HydrophobicContact CD2-CD1 3.92Å; L197-F202 HydrophobicContact CD2-CE1 3.9Å; L197-I209 HydrophobicContact CD1-CG2 4.01Å; L197-I209 HydrophobicContact CD2-CG2 4.31Å; L197-V213 HydrophobicContact CD1-CG2 3.62Å; L197-C325 HydrophobicContact CB-CB 3.87Å; L197-C325 HydrophobicContact CD1-CB 4.26Å; L197-R368 PolarHBondContact O-NH1 2.79Å; L197-R368 PolarHBondContact O-NH2 2.96Å
198	S	93.3	Very high	93.3	Very high	36 Å²	36	30 Å²	30	25%	0.252	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.5	169.4	49.4	0	0	0	0	113.2	E194 R327	E194-S198 VanDerWaalsContact O-CB 3.23Å; E194-S198 WeakPolarHBondContact O-CB 3.36Å; E194-S198 PolarHBondContact O-N 3.47Å; E194-S198 PolarHBondContact O-OG 3.01Å; S198-R327 PolarHBondContact O-NH2 3.38Å
199	R	93.9	Very high	93.5	Very high	43 Å²	43	29.8 Å²	29.8	16%	0.162	16%	0.164	C	C	.	.			trans	-77.7	137.9	-167	-65.4	167.2	63.5	-108.7	4.5	113.7	D173 R195 L197 S201 R368	D173-R199 VanDerWaalsContact CG-NH1 3.34Å; D173-R199 IonicContact OD1-CZ 2.75Å; D173-R199 IonicContact OD1-NH1 3.24Å; D173-R199 PolarHBondContact OD1-NH1 3.49Å; D173-R199 IonicContact OD1-NH2 2.72Å; D173-R199 IonicContact OD2-CZ 3.57Å; D173-R199 IonicContact OD2-NH1 2.9Å; D173-R199 PolarHBondContact OD2-NH1 2.86Å; D173-R199 VanDerWaalsContact OD2-NH1 3.16Å; D173-R199 IonicContact OD2-NH2 3.43Å; D173-R199 PolarHBondContact OD2-NH2 2.9Å; R195-R199 WeakPolarHBondContact O-CD 3.45Å; L197-R199 VanDerWaalsContact C-N 3.27Å; R199-S201 PolarHBondContact NH1-OG 3.23Å; R199-S201 PolarHBondContact NH2-OG 2.72Å; R199-S201 PolarHBondContact O-N 3.45Å; R199-R368 PolarHBondContact O-NH1 3.24Å
200	D	92.8	Very high	93.8	Very high	82 Å²	82	27.6 Å²	27.6	44%	0.439	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.3	174.8	-51.9	-60	0	0	0	113	F202 R327 R368 G369 I622	D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 3.24Å; D200-R327 IonicContact OD1-CZ 2.8Å; D200-R327 IonicContact OD1-NH1 3.47Å; D200-R327 PolarHBondContact OD1-NH1 3.17Å; D200-R327 IonicContact OD1-NH2 3.56Å; D200-R327 PolarHBondContact OD1-NH2 2.9Å; D200-R368 CarbonylContact O-C 3.49Å; D200-R368 WeakPolarHBondContact O-CA 3.32Å; D200-R368 VanDerWaalsContact O-CB 3.31Å; D200-R368 WeakPolarHBondContact O-CB 3.42Å; D200-G369 PolarHBondContact O-N 2.94Å; D200-I622 HydrophobicContact CB-CD1 3.64Å
201	S	94.1	Very high	94.1	Very high	7 Å²	7	31 Å²	31	5%	0.049	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.1	-174.6	62.2	0	0	0	0	114.7	D173 R199 C203 G369	D173-S201 VanDerWaalsContact OD2-CB 3.27Å; D173-S201 WeakPolarHBondContact OD2-CB 3.49Å; D173-S201 PolarHBondContact OD2-OG 2.9Å; R199-S201 PolarHBondContact NH1-OG 3.23Å; R199-S201 PolarHBondContact NH2-OG 2.72Å; R199-S201 PolarHBondContact O-N 3.45Å; S201-C203 PolarHBondContact O-N 2.76Å; S201-G369 VanDerWaalsContact CA-O 3.3Å; S201-G369 WeakPolarHBondContact CA-O 3.49Å
202	F	94.7	Very high	94.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.			trans	-79.5	87	179.7	-169.4	-98	0	0	0	110.3	A176 P179 L180 L196 L197 D200 A204 R368	A176-F202 HydrophobicContact CB-CD2 4.1Å; A176-F202 HydrophobicContact CB-CE2 3.89Å; A176-F202 HydrophobicContact CB-CZ 4.12Å; P179-F202 HydrophobicContact CB-CE2 4.24Å; P179-F202 HydrophobicContact CB-CZ 4.22Å; P179-F202 HydrophobicContact CG-CE2 4.17Å; P179-F202 HydrophobicContact CG-CZ 4.41Å; L180-F202 HydrophobicContact CD1-CE1 4.14Å; L180-F202 HydrophobicContact CD2-CE1 3.76Å; L180-F202 HydrophobicContact CD2-CZ 4.03Å; L180-F202 HydrophobicContact CG-CE1 3.84Å; L180-F202 HydrophobicContact CG-CZ 3.99Å; L196-F202 HydrophobicContact CD1-CD2 3.86Å; L196-F202 HydrophobicContact CD1-CE2 4.06Å; L196-F202 HydrophobicContact CG-CD2 4.48Å; L197-F202 HydrophobicContact CD2-CD1 3.92Å; L197-F202 HydrophobicContact CD2-CE1 3.9Å; D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 3.24Å; F202-A204 HydrophobicContact CD1-CB 4.03Å; F202-A204 HydrophobicContact CE1-CB 3.73Å; F202-A204 PolarHBondContact O-N 3.4Å; F202-R368 WeakPolarHBondContact O-CD 3.4Å
203	C	92.4	Very high	94.3	Very high	19 Å²	19	28.1 Å²	28.1	13%	0.128	14%	0.139	C	C	.	.			trans	-73.7	79.6	-172.2	-172.7	0	0	0	0	113.1	A176 S201 W370	A176-C203 HydrophobicContact CB-CB 4.48Å; A176-C203 WeakPolarHBondContact CB-O 3.33Å; S201-C203 PolarHBondContact O-N 2.76Å; C203-W370 HydrophobicContact CB-CB 4.16Å
204	A	93	Very high	94.3	Very high	16 Å²	16	28.6 Å²	28.6	13%	0.132	14%	0.142	C	C	.	.			trans	-129.7	163	169.8	0	0	0	0	0	110.2	P177 L180 F202 I209	P177-A204 HydrophobicContact CB-CB 3.65Å; L180-A204 HydrophobicContact CD1-CB 3.83Å; F202-A204 HydrophobicContact CD1-CB 4.03Å; F202-A204 HydrophobicContact CE1-CB 3.73Å; F202-A204 PolarHBondContact O-N 3.4Å; A204-I209 HydrophobicContact CB-CD1 4.15Å; A204-I209 HydrophobicContact CB-CG1 3.98Å
205	S	93.1	Very high	94.3	Very high	52 Å²	52	28.9 Å²	28.9	36%	0.364	15%	0.15	S	C	.	.			trans	-80	145.5	173.4	66.1	0	0	0	0	111.3	I207 E208 I209	S205-I207 PolarHBondContact O-N 2.87Å; S205-I207 WeakPolarHBondContact OG-CG2 3.47Å; S205-E208 WeakPolarHBondContact CB-OE2 3.45Å; S205-E208 PolarHBondContact N-OE2 2.95Å; S205-E208 WeakPolarHBondContact O-CB 3.46Å; S205-E208 PolarHBondContact O-N 2.99Å; S205-E208 VanDerWaalsContact OG-CG 3.23Å; S205-E208 WeakPolarHBondContact OG-CG 3.42Å; S205-E208 PolarHBondContact OG-OE2 2.94Å; S205-I209 WeakPolarHBondContact O-CG1 3.35Å; S205-I209 PolarHBondContact O-N 2.69Å; S205-I209 VanDerWaalsContact O-N 3.09Å
206	E	94.3	Very high	94.2	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-25.8	-176	-60.7	-60.1	149.8	0	0	113.1	I209 F210 V326 R327 L330 M331 R368	E206-I209 PolarHBondContact O-N 2.87Å; E206-F210 WeakPolarHBondContact O-CB 3.39Å; E206-F210 PolarHBondContact O-N 3.28Å; E206-V326 HydrophobicContact CB-CG1 4.46Å; E206-R327 HydrophobicContact CG-CB 4Å; E206-R327 WeakPolarHBondContact CG-O 3.47Å; E206-R327 PolarHBondContact OE2-N 2.74Å; E206-L330 HydrophobicContact CG-CB 3.79Å; E206-L330 HydrophobicContact CG-CD1 3.86Å; E206-L330 HydrophobicContact CG-CG 4.19Å; E206-M331 HydrophobicContact CB-CG 3.59Å; E206-M331 HydrophobicContact CB-SD 4.21Å; E206-R368 IonicContact OE1-CZ 3.06Å; E206-R368 IonicContact OE1-NE 3.12Å; E206-R368 PolarHBondContact OE1-NE 3.29Å; E206-R368 IonicContact OE1-NH2 3.88Å; E206-R368 PolarHBondContact OE1-NH2 3.34Å; E206-R368 IonicContact OE2-CZ 3.46Å; E206-R368 IonicContact OE2-NE 3.37Å; E206-R368 IonicContact OE2-NH2 4Å; E206-R368 PolarHBondContact OE2-NH2 2.66Å
207	I	94.7	Very high	94	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-38	172.6	-174.9	58.8	0	0	0	112.4	S205 F210 R211 M331 E335 E339	S205-I207 PolarHBondContact O-N 2.87Å; S205-I207 WeakPolarHBondContact OG-CG2 3.47Å; I207-F210 HydrophobicContact CD1-CD1 4.36Å; I207-R211 HydrophobicContact CD1-CG 4.39Å; I207-R211 VanDerWaalsContact CG1-CZ 3.45Å; I207-R211 WeakPolarHBondContact O-CB 3.41Å; I207-R211 WeakPolarHBondContact O-CD 3.34Å; I207-R211 WeakPolarHBondContact O-CG 3.22Å; I207-R211 PolarHBondContact O-N 2.67Å; I207-M331 HydrophobicContact CB-CE 4.05Å; I207-M331 HydrophobicContact CD1-CE 3.57Å; I207-M331 HydrophobicContact CG1-CE 4.38Å; I207-E335 WeakPolarHBondContact CB-OE1 3.34Å; I207-E335 HydrophobicContact CD1-CB 4.23Å; I207-E335 HydrophobicContact CD1-CG 4.22Å; I207-E335 HydrophobicContact CG1-CG 4.25Å; I207-E335 WeakPolarHBondContact CG1-OE1 3.45Å; I207-E335 VanDerWaalsContact CG2-OE1 3.29Å; I207-E335 WeakPolarHBondContact CG2-OE1 3.38Å; I207-E339 HydrophobicContact CD1-CB 4.44Å
208	E	95.1	Very high	93.7	Very high	37 Å²	37	32.7 Å²	32.7	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-67.8	-43.7	173.7	-65.3	170.8	98.8	0	0	110.7	P177 L180 Y181 S205 R211 A212	P177-E208 WeakPolarHBondContact CB-OE1 3.36Å; L180-E208 HydrophobicContact CD1-CB 3.72Å; Y181-E208 WeakPolarHBondContact OH-CG 3.42Å; Y181-E208 PolarHBondContact OH-OE1 3.2Å; S205-E208 WeakPolarHBondContact CB-OE2 3.45Å; S205-E208 PolarHBondContact N-OE2 2.95Å; S205-E208 WeakPolarHBondContact O-CB 3.46Å; S205-E208 PolarHBondContact O-N 2.99Å; S205-E208 VanDerWaalsContact OG-CG 3.23Å; S205-E208 WeakPolarHBondContact OG-CG 3.42Å; S205-E208 PolarHBondContact OG-OE2 2.94Å; E208-R211 PolarHBondContact O-N 3.47Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 3.29Å
209	I	96.3	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-47.5	177.6	-61.3	174.4	0	0	0	109.9	L180 L197 A204 S205 E206 R211 A212 V213 C325 V326 R368	L180-I209 HydrophobicContact CD1-CG1 4.04Å; L197-I209 HydrophobicContact CD1-CG2 4.01Å; L197-I209 HydrophobicContact CD2-CG2 4.31Å; A204-I209 HydrophobicContact CB-CD1 4.15Å; A204-I209 HydrophobicContact CB-CG1 3.98Å; S205-I209 WeakPolarHBondContact O-CG1 3.35Å; S205-I209 PolarHBondContact O-N 2.69Å; S205-I209 VanDerWaalsContact O-N 3.09Å; E206-I209 PolarHBondContact O-N 2.87Å; I209-R211 PolarHBondContact O-N 3.21Å; I209-A212 PolarHBondContact O-N 2.89Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.27Å; I209-C325 WeakPolarHBondContact CG2-O 3.44Å; I209-V326 HydrophobicContact CG2-CG2 4.18Å; I209-R368 VanDerWaalsContact CD1-NE 3.32Å
210	F	95.2	Very high	92.8	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-47.5	176.2	175.5	-104.7	0	0	0	112.5	E206 I207 A212 V213 C214 M322 V326 F328 M331 V340	E206-F210 WeakPolarHBondContact O-CB 3.39Å; E206-F210 PolarHBondContact O-N 3.28Å; I207-F210 HydrophobicContact CD1-CD1 4.36Å; F210-A212 VanDerWaalsContact C-N 3.35Å; F210-A212 PolarHBondContact O-N 3.42Å; F210-V213 PolarHBondContact O-N 2.99Å; F210-C214 WeakPolarHBondContact O-CB 3.29Å; F210-C214 PolarHBondContact O-N 3.08Å; F210-C214 PolarHBondContact O-SG 3.13Å; F210-M322 HydrophobicContact CD2-CE 4.03Å; F210-M322 HydrophobicContact CD2-SD 3.8Å; F210-M322 HydrophobicContact CE2-CE 3.71Å; F210-M322 HydrophobicContact CE2-SD 3.87Å; F210-V326 HydrophobicContact CB-CG1 4.03Å; F210-V326 HydrophobicContact CB-CG2 4.29Å; F210-V326 HydrophobicContact CD2-CG1 4.42Å; F210-V326 HydrophobicContact CD2-CG2 4.45Å; F210-F328 AromaticContact CD2-CE1 3.91Å; F210-F328 HydrophobicContact CD2-CE1 3.91Å; F210-F328 HydrophobicContact CD2-CZ 4.47Å; F210-F328 HydrophobicContact CE2-CE1 4.2Å; F210-M331 HydrophobicContact CB-CE 4.38Å; F210-M331 HydrophobicContact CG-CE 4.49Å; F210-V340 HydrophobicContact CD1-CG2 4.11Å; F210-V340 HydrophobicContact CD2-CG2 4.38Å; F210-V340 HydrophobicContact CE1-CB 4.42Å; F210-V340 HydrophobicContact CE1-CG2 3.95Å; F210-V340 HydrophobicContact CE2-CB 4.43Å; F210-V340 HydrophobicContact CE2-CG1 3.91Å; F210-V340 HydrophobicContact CE2-CG2 4.23Å; F210-V340 HydrophobicContact CG-CG2 4.33Å; F210-V340 HydrophobicContact CZ-CB 4.12Å; F210-V340 HydrophobicContact CZ-CG1 4.01Å; F210-V340 HydrophobicContact CZ-CG2 4.02Å
211	R	95.4	Very high	92.1	Very high	119 Å²	119	32.6 Å²	32.6	45%	0.449	16%	0.163	S	C	.	.	H	α-helix	trans	-63	-40	176.7	-72.6	169.7	-178.6	158.4	3.1	111.7	I207 E208 I209 C214 A215 E339	I207-R211 HydrophobicContact CD1-CG 4.39Å; I207-R211 VanDerWaalsContact CG1-CZ 3.45Å; I207-R211 WeakPolarHBondContact O-CB 3.41Å; I207-R211 WeakPolarHBondContact O-CD 3.34Å; I207-R211 WeakPolarHBondContact O-CG 3.22Å; I207-R211 PolarHBondContact O-N 2.67Å; E208-R211 PolarHBondContact O-N 3.47Å; I209-R211 PolarHBondContact O-N 3.21Å; R211-C214 WeakPolarHBondContact O-CB 3.49Å; R211-C214 PolarHBondContact O-N 3.28Å; R211-A215 PolarHBondContact O-N 2.79Å; R211-E339 IonicContact CZ-OE1 3.09Å; R211-E339 IonicContact CZ-OE2 3.04Å; R211-E339 IonicContact NE-OE1 3.77Å; R211-E339 IonicContact NE-OE2 3.15Å; R211-E339 PolarHBondContact NE-OE2 3.46Å; R211-E339 VanDerWaalsContact NH2-CD 3.3Å; R211-E339 IonicContact NH2-OE1 3.82Å; R211-E339 PolarHBondContact NH2-OE1 2.72Å; R211-E339 IonicContact NH2-OE2 2.84Å; R211-E339 PolarHBondContact NH2-OE2 2.88Å; R211-E339 VanDerWaalsContact NH2-OE2 3.12Å
212	A	95.5	Very high	91.1	Very high	9 Å²	9	36.9 Å²	36.9	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-44.1	177.1	0	0	0	0	0	112.5	L180 F185 E208 I209 F210 C214 A215 W216	L180-A212 HydrophobicContact CB-CB 4.05Å; L180-A212 HydrophobicContact CD2-CB 3.87Å; L180-A212 HydrophobicContact CG-CB 4.37Å; F185-A212 HydrophobicContact CE1-CB 3.87Å; F185-A212 HydrophobicContact CZ-CB 4.34Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 3.29Å; I209-A212 PolarHBondContact O-N 2.89Å; F210-A212 VanDerWaalsContact C-N 3.35Å; F210-A212 PolarHBondContact O-N 3.42Å; A212-C214 VanDerWaalsContact C-N 3.35Å; A212-C214 PolarHBondContact O-N 3.48Å; A212-A215 PolarHBondContact O-N 2.87Å; A212-A215 VanDerWaalsContact O-N 3.15Å; A212-W216 PolarHBondContact O-N 3.09Å
213	V	94.5	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-41.4	174.1	174.3	0	0	0	0	110.7	L197 I209 F210 A215 W216 L217 M321 M322 C325 V326	L197-V213 HydrophobicContact CD1-CG2 3.62Å; I209-V213 HydrophobicContact CG2-CG2 4.43Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.27Å; F210-V213 PolarHBondContact O-N 2.99Å; V213-A215 VanDerWaalsContact C-N 3.3Å; V213-A215 PolarHBondContact O-N 3.26Å; V213-W216 PolarHBondContact O-N 3.38Å; V213-L217 HydrophobicContact CG1-CD1 4Å; V213-L217 HydrophobicContact CG1-CG 4.31Å; V213-L217 WeakPolarHBondContact O-CB 3.37Å; V213-L217 WeakPolarHBondContact O-CG 3Å; V213-L217 PolarHBondContact O-N 2.97Å; V213-M321 HydrophobicContact CG1-CE 4.49Å; V213-M322 HydrophobicContact CB-CE 4.44Å; V213-M322 HydrophobicContact CB-SD 4.42Å; V213-M322 HydrophobicContact CG1-CE 3.87Å; V213-M322 HydrophobicContact CG1-SD 3.82Å; V213-C325 HydrophobicContact CG2-CB 3.89Å; V213-V326 HydrophobicContact CG2-CG2 4.45Å
214	C	92.8	Very high	88.3	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-41	172	-74.5	0	0	0	0	112.7	F210 R211 A212 R218 M322	F210-C214 WeakPolarHBondContact O-CB 3.29Å; F210-C214 PolarHBondContact O-N 3.08Å; F210-C214 PolarHBondContact O-SG 3.13Å; R211-C214 WeakPolarHBondContact O-CB 3.49Å; R211-C214 PolarHBondContact O-N 3.28Å; A212-C214 VanDerWaalsContact C-N 3.35Å; A212-C214 PolarHBondContact O-N 3.48Å; C214-R218 WeakPolarHBondContact O-CD 3.47Å; C214-R218 VanDerWaalsContact O-CG 3.26Å; C214-R218 WeakPolarHBondContact O-CG 3.49Å; C214-R218 PolarHBondContact O-N 2.86Å; C214-M322 VanDerWaalsContact SG-CE 3.55Å
215	A	93.1	Very high	86.2	Confident	39 Å²	39	44.3 Å²	44.3	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-69.8	-43.5	177.9	0	0	0	0	0	112.2	L186 R211 A212 V213 R218 N219	L186-A215 HydrophobicContact CD2-CB 3.76Å; R211-A215 PolarHBondContact O-N 2.79Å; A212-A215 PolarHBondContact O-N 2.87Å; A212-A215 VanDerWaalsContact O-N 3.15Å; V213-A215 VanDerWaalsContact C-N 3.3Å; V213-A215 PolarHBondContact O-N 3.26Å; A215-R218 PolarHBondContact O-N 2.9Å; A215-N219 PolarHBondContact O-N 2.94Å
216	W	93.9	Very high	84	Confident	6 Å²	6	49.1 Å²	49.1	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-41.1	176.7	177.4	88.1	0	0	0	112.3	F185 L186 L188 Q190 V193 A212 V213 R218 N219 S220 M321	F185-W216 HydrophobicContact CE1-CB 3.99Å; L186-W216 HydrophobicContact CD2-CB 4.39Å; L188-W216 PolarHBondContact O-NE1 3.45Å; Q190-W216 HydrophobicContact CB-CH2 3.81Å; Q190-W216 HydrophobicContact CB-CZ2 4.09Å; Q190-W216 HydrophobicContact CG-CH2 3.98Å; V193-W216 HydrophobicContact CG2-CD2 4.04Å; V193-W216 HydrophobicContact CG2-CG 4.11Å; V193-W216 HydrophobicContact CG2-CZ2 4.3Å; A212-W216 PolarHBondContact O-N 3.09Å; V213-W216 PolarHBondContact O-N 3.38Å; W216-R218 PolarHBondContact O-N 3.35Å; W216-N219 PolarHBondContact O-N 3.47Å; W216-S220 WeakPolarHBondContact O-CB 3.35Å; W216-S220 PolarHBondContact O-N 3.11Å; W216-S220 PolarHBondContact O-OG 3.16Å; W216-M321 HydrophobicContact CE3-CE 4.16Å; W216-M321 HydrophobicContact CH2-CE 4.47Å; W216-M321 HydrophobicContact CH2-SD 4.3Å; W216-M321 HydrophobicContact CZ3-CE 3.8Å; W216-M321 HydrophobicContact CZ3-CG 4.06Å; W216-M321 HydrophobicContact CZ3-SD 3.97Å
217	L	90.4	Very high	81.6	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-40.7	175.6	-75.1	172.8	0	0	0	112.3	V213 S220 K221 C318 M321 M322 L345	V213-L217 HydrophobicContact CG1-CD1 4Å; V213-L217 HydrophobicContact CG1-CG 4.31Å; V213-L217 WeakPolarHBondContact O-CB 3.37Å; V213-L217 WeakPolarHBondContact O-CG 3Å; V213-L217 PolarHBondContact O-N 2.97Å; L217-S220 PolarHBondContact O-N 3.04Å; L217-K221 PolarHBondContact O-N 3.05Å; L217-C318 HydrophobicContact CD1-CB 4.44Å; L217-M321 HydrophobicContact CD2-CB 4.39Å; L217-M321 HydrophobicContact CD2-CG 4.36Å; L217-M322 HydrophobicContact CD1-CE 3.92Å; L217-L345 HydrophobicContact CD1-CD1 4.31Å
218	R	89.2	Confident	78.7	Confident	169 Å²	169	57.5 Å²	57.5	64%	0.638	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-51	175.4	-70.3	166.9	-171	172.8	4.4	111.3	C214 A215 W216 S220 K221 E222	C214-R218 WeakPolarHBondContact O-CD 3.47Å; C214-R218 VanDerWaalsContact O-CG 3.26Å; C214-R218 WeakPolarHBondContact O-CG 3.49Å; C214-R218 PolarHBondContact O-N 2.86Å; A215-R218 PolarHBondContact O-N 2.9Å; W216-R218 PolarHBondContact O-N 3.35Å; R218-S220 VanDerWaalsContact C-N 3.26Å; R218-S220 PolarHBondContact O-N 3.3Å; R218-K221 PolarHBondContact O-N 3.31Å; R218-E222 PolarHBondContact O-N 3Å
219	N	88.6	Confident	75.8	Confident	48 Å²	48	61.5 Å²	61.5	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-35.3	178.1	-172	69.6	0	0	0	112.6	L186 A215 W216 E222 S223	L186-N219 HydrophobicContact CB-CB 4.34Å; L186-N219 PolarHBondContact O-ND2 2.77Å; A215-N219 PolarHBondContact O-N 2.94Å; W216-N219 PolarHBondContact O-N 3.47Å; N219-E222 PolarHBondContact O-N 3.46Å; N219-S223 WeakPolarHBondContact O-CB 3.23Å; N219-S223 PolarHBondContact O-N 3.34Å; N219-S223 PolarHBondContact O-OG 3.23Å
220	S	80.9	Confident	73.1	Confident	20 Å²	20	66 Å²	66	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-43.4	176.2	-63.2	0	0	0	0	112.4	W216 L217 R218 S223 N224	W216-S220 WeakPolarHBondContact O-CB 3.35Å; W216-S220 PolarHBondContact O-N 3.11Å; W216-S220 PolarHBondContact O-OG 3.16Å; L217-S220 PolarHBondContact O-N 3.04Å; R218-S220 VanDerWaalsContact C-N 3.26Å; R218-S220 PolarHBondContact O-N 3.3Å; S220-S223 PolarHBondContact O-N 2.91Å; S220-N224 PolarHBondContact O-N 3.5Å
221	K	76.4	Confident	70.4	Confident	91 Å²	91	69.2 Å²	69.2	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-41.2	177.9	-71	-175.7	-177.6	-114.7	0	112.1	L217 R218 C225 E314	L217-K221 PolarHBondContact O-N 3.05Å; R218-K221 PolarHBondContact O-N 3.31Å; K221-C225 PolarHBondContact O-N 3.41Å; K221-E314 IonicContact NZ-OE2 2.72Å; K221-E314 PolarHBondContact NZ-OE2 3.17Å
222	E	74.6	Confident	67.7	Low	98 Å²	98	71.4 Å²	71.4	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-42.7	173.6	-72.6	-170.6	-137.4	0	0	112.7	R218 N219 N224 C225 R226	R218-E222 PolarHBondContact O-N 3Å; N219-E222 PolarHBondContact O-N 3.46Å; E222-N224 PolarHBondContact O-N 2.83Å; E222-C225 WeakPolarHBondContact O-CB 3.45Å; E222-C225 PolarHBondContact O-N 3.01Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.31Å; E222-R226 VanDerWaalsContact O-N 3.08Å; E222-R226 IonicContact OE2-CZ 3.73Å; E222-R226 IonicContact OE2-NH2 3.27Å; E222-R226 PolarHBondContact OE2-NH2 3.41Å
223	S	68.2	Low	65	Low	49 Å²	49	78.4 Å²	78.4	34%	0.343	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-41	-179.2	-58.2	0	0	0	0	112	N219 S220 R226 T227	N219-S223 WeakPolarHBondContact O-CB 3.23Å; N219-S223 PolarHBondContact O-N 3.34Å; N219-S223 PolarHBondContact O-OG 3.23Å; S220-S223 PolarHBondContact O-N 2.91Å; S223-R226 PolarHBondContact O-N 2.88Å; S223-T227 WeakPolarHBondContact O-CB 3.45Å; S223-T227 PolarHBondContact O-N 3.32Å; S223-T227 PolarHBondContact O-OG1 3.43Å
224	N	59.5	Low	62.5	Low	73 Å²	73	82.1 Å²	82.1	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-45.6	173.3	-79.1	0.2	0	0	0	111.6	S220 E222 R226 T227 L228	S220-N224 PolarHBondContact O-N 3.5Å; E222-N224 PolarHBondContact O-N 2.83Å; N224-R226 PolarHBondContact O-N 3.19Å; N224-T227 PolarHBondContact O-N 2.95Å; N224-L228 WeakPolarHBondContact O-CG 3.09Å; N224-L228 PolarHBondContact O-N 3.24Å
225	C	49	Very low	59.7	Low	68 Å²	68	87.6 Å²	87.6	46%	0.459	45%	0.453	S	S	.	.	H	α-helix	trans	-59.8	-46.6	179.8	-172	0	0	0	0	112.3	K221 E222 T227 L228 Q229	K221-C225 PolarHBondContact O-N 3.41Å; E222-C225 WeakPolarHBondContact O-CB 3.45Å; E222-C225 PolarHBondContact O-N 3.01Å; C225-T227 VanDerWaalsContact C-N 3.33Å; C225-T227 PolarHBondContact O-N 2.73Å; C225-L228 PolarHBondContact O-N 3.45Å; C225-Q229 WeakPolarHBondContact O-CG 3.31Å; C225-Q229 PolarHBondContact O-N 3.26Å; C225-Q229 VanDerWaalsContact O-N 3.14Å
226	R	45.9	Very low	56.7	Low	154 Å²	154	93.3 Å²	93.3	58%	0.581	48%	0.476	S	S	*	.	H	α-helix	trans	-65.3	-34	177	-63.3	177.8	-159.5	-174	8.7	112.8	E222 S223 N224 Q229 T230	E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.31Å; E222-R226 VanDerWaalsContact O-N 3.08Å; E222-R226 IonicContact OE2-CZ 3.73Å; E222-R226 IonicContact OE2-NH2 3.27Å; E222-R226 PolarHBondContact OE2-NH2 3.41Å; S223-R226 PolarHBondContact O-N 2.88Å; N224-R226 PolarHBondContact O-N 3.19Å; R226-Q229 PolarHBondContact O-N 2.9Å; R226-T230 PolarHBondContact O-N 2.71Å; R226-T230 VanDerWaalsContact O-N 3.13Å; R226-T230 PolarHBondContact O-OG1 3.05Å
227	T	43.7	Very low	53.6	Low	73 Å²	73	98.3 Å²	98.3	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-40.4	177	-55.4	0	0	0	0	111.7	S223 N224 C225 T230 L231	S223-T227 WeakPolarHBondContact O-CB 3.45Å; S223-T227 PolarHBondContact O-N 3.32Å; S223-T227 PolarHBondContact O-OG1 3.43Å; N224-T227 PolarHBondContact O-N 2.95Å; C225-T227 VanDerWaalsContact C-N 3.33Å; C225-T227 PolarHBondContact O-N 2.73Å; T227-T230 PolarHBondContact O-N 3.35Å; T227-T230 PolarHBondContact O-OG1 3.4Å; T227-T230 VanDerWaalsContact O-OG1 3.12Å; T227-L231 HydrophobicContact CG2-CD1 4.14Å; T227-L231 WeakPolarHBondContact O-CG 3.46Å; T227-L231 PolarHBondContact O-N 2.86Å; T227-L231 VanDerWaalsContact O-N 3.09Å
228	L	34.5	Very low	50.8	Low	124 Å²	124	103.2 Å²	103.2	65%	0.649	54%	0.539	S	S	*	.	H	α-helix	trans	-66	-39.7	175.3	-69.5	171.1	0	0	0	112	N224 C225 L231 H232	N224-L228 WeakPolarHBondContact O-CG 3.09Å; N224-L228 PolarHBondContact O-N 3.24Å; C225-L228 PolarHBondContact O-N 3.45Å; L228-L231 PolarHBondContact O-N 3.15Å; L228-H232 PolarHBondContact O-N 3.41Å; L228-H232 VanDerWaalsContact O-N 3.14Å
229	Q	33.7	Very low	48.1	Very low	122 Å²	122	103.2 Å²	103.2	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-62.3	-42.5	175.8	-72.7	176.5	-14.1	0	0	112.5	C225 R226 H232 L233	C225-Q229 WeakPolarHBondContact O-CG 3.31Å; C225-Q229 PolarHBondContact O-N 3.26Å; C225-Q229 VanDerWaalsContact O-N 3.14Å; R226-Q229 PolarHBondContact O-N 2.9Å; Q229-H232 PolarHBondContact O-N 3.47Å; Q229-L233 WeakPolarHBondContact O-CD1 3.5Å
230	T	41.2	Very low	45.3	Very low	95 Å²	95	106 Å²	106	58%	0.583	57%	0.569	S	S	*	*	H	α-helix	trans	-72	-32.4	178.9	38.1	0	0	0	0	113.4	R226 T227 S234	R226-T230 PolarHBondContact O-N 2.71Å; R226-T230 VanDerWaalsContact O-N 3.13Å; R226-T230 PolarHBondContact O-OG1 3.05Å; T227-T230 PolarHBondContact O-N 3.35Å; T227-T230 PolarHBondContact O-OG1 3.4Å; T227-T230 VanDerWaalsContact O-OG1 3.12Å; T230-S234 PolarHBondContact O-OG 3.16Å
231	L	37.8	Very low	42.8	Very low	73 Å²	73	110.8 Å²	110.8	38%	0.382	60%	0.598	S	S	.	*	H	α-helix	trans	-70.3	-28.3	173.6	-72.2	170.8	0	0	0	113.4	T227 L228 S234 N235	T227-L231 HydrophobicContact CG2-CD1 4.14Å; T227-L231 WeakPolarHBondContact O-CG 3.46Å; T227-L231 PolarHBondContact O-N 2.86Å; T227-L231 VanDerWaalsContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 3.15Å; L231-S234 PolarHBondContact O-OG 3.35Å; L231-N235 PolarHBondContact O-ND2 3.45Å
232	H	37.6	Very low	41	Very low	165 Å²	165	112.7 Å²	112.7	76%	0.764	61%	0.613	S	S	*	*	H	α-helix	trans	-76.6	-22	178.2	-154.1	74.2	0	0	0	113.3	L228 Q229	L228-H232 PolarHBondContact O-N 3.41Å; L228-H232 VanDerWaalsContact O-N 3.14Å; Q229-H232 PolarHBondContact O-N 3.47Å
233	L	40.5	Very low	39	Very low	155 Å²	155	114.3 Å²	114.3	81%	0.812	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-6.1	177.2	-90.1	73.4	0	0	0	114.3	Q229	Q229-L233 WeakPolarHBondContact O-CD1 3.5Å
234	S	41.5	Very low	37.5	Very low	78 Å²	78	118.1 Å²	118.1	55%	0.545	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113	-4.7	-172.2	45.8	0	0	0	0	115.4	T230 L231	T230-S234 PolarHBondContact O-OG 3.16Å; L231-S234 PolarHBondContact O-OG 3.35Å
235	N	33.1	Very low	36.3	Very low	125 Å²	125	121.9 Å²	121.9	67%	0.668	66%	0.661	S	S	*	*			trans	-104.6	70.9	-178.7	-81.2	-41.6	0	0	0	113.2	L231	L231-N235 PolarHBondContact O-ND2 3.45Å
236	I	30.6	Very low	35.6	Very low	159 Å²	159	122 Å²	122	82%	0.815	67%	0.674	S	S	*	*			trans	-135.2	102.7	162	-54.9	178.6	0	0	0	110.4
237	P	29.9	Very low	35.1	Very low	110 Å²	110	121.7 Å²	121.7	71%	0.714	68%	0.683	S	S	*	*			trans	-131	108.6	153.2	26.7	-7.7	0	0	0	112.4
238	V	31.1	Very low	34.8	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.715	69%	0.694	S	S	*	*			trans	39.2	107.8	140.9	-170.5	0	0	0	0	118.2	T240	V238-T240 HydrophobicContact CG1-CG2 3.78Å
239	I	32.2	Very low	35	Very low	170 Å²	170	124.2 Å²	124.2	87%	0.872	70%	0.695	S	S	*	*			trans	-104.8	124.4	148.4	-60.4	176.3	0	0	0	107.5
240	T	30.5	Very low	35.3	Very low	106 Å²	106	123 Å²	123	65%	0.65	70%	0.7	S	S	*	*			trans	-108.9	155.9	170.2	43.1	0	0	0	0	110.5	V238	V238-T240 HydrophobicContact CG1-CG2 3.78Å
241	T	28.6	Very low	35	Very low	121 Å²	121	124.9 Å²	124.9	74%	0.742	71%	0.707	S	S	*	*			trans	63.4	124.6	-177.4	59.9	0	0	0	0	113.6
242	D	36.6	Very low	34.9	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	72%	0.721	S	S	*	*			cis	-158.8	149	29.6	-116.8	-2.8	0	0	0	114.6
243	N	34.7	Very low	34.6	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	72%	0.724	S	S	*	*			trans	65.1	140.3	149.1	-60.7	-49	0	0	0	124.1
244	N	35.1	Very low	34	Very low	129 Å²	129	126.3 Å²	126.3	69%	0.69	72%	0.722	S	S	*	*			trans	71.6	109.3	155.4	-72.3	35.2	0	0	0	122.6
245	D	35.2	Very low	33.5	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	74%	0.738	S	S	*	*				54.7	127.4	123.3	-52	-23.7	0	0	0	122.1
246	G	34	Very low	33.2	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	75%	0.745	S	S	*	*			trans	145.5	68.5	143.6	0	0	0	0	0	119.6
247	N	36.1	Very low	33.3	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	75%	0.746	S	S	*	*			trans	41.9	126.6	138	-76.7	16.8	0	0	0	122.6
248	N	36.7	Very low	33.2	Very low	125 Å²	125	134.6 Å²	134.6	67%	0.668	75%	0.746	S	S	*	*			trans	72.2	151.9	138	-59.9	43.6	0	0	0	118
249	D	38.6	Very low	33.1	Very low	125 Å²	125	137.2 Å²	137.2	67%	0.668	76%	0.755	S	S	*	*			cis	-161.8	159.1	-17.5	-103.1	-24.5	0	0	0	109.9
250	S	39.1	Very low	32.8	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	75%	0.747	S	S	*	*			trans	60.4	127.5	147.3	68.6	0	0	0	0	122.6
251	D	35.5	Very low	32.7	Very low	134 Å²	134	135 Å²	135	72%	0.717	75%	0.754	S	S	*	*				85.1	98.4	123	-75.8	39.5	0	0	0	123.9
252	N	35.4	Very low	32.8	Very low	127 Å²	127	136.4 Å²	136.4	68%	0.679	75%	0.752	S	S	*	*				89.1	129.7	105.9	-86.5	-41.5	0	0	0	123.6
253	M	31.5	Very low	32.2	Very low	170 Å²	170	139 Å²	139	84%	0.837	76%	0.757	S	S	*	*			trans	88.5	149	139.5	-73.2	-178.4	74.8	0	0	121.5
254	V	28.3	Very low	31.9	Very low	126 Å²	126	142.8 Å²	142.8	76%	0.764	77%	0.767	S	S	*	*			trans	-116.1	140.5	-173.7	171.2	0	0	0	0	107.5
255	E	31.6	Very low	31.4	Very low	186 Å²	186	144.7 Å²	144.7	87%	0.869	77%	0.772	S	S	*	*			trans	-145.6	144.6	152.4	-138	165.5	-138	0	0	111.4
256	Q	26.3	Very low	31.5	Very low	175 Å²	175	143.6 Å²	143.6	82%	0.818	77%	0.773	S	S	*	*			trans	-99.2	140.3	175.3	-65.2	177.6	-19.3	0	0	108.7
257	H	33.6	Very low	31.3	Very low	181 Å²	181	146.1 Å²	146.1	84%	0.838	77%	0.77	S	S	*	*			trans	-146.5	125.3	154	-114.4	-72.5	0	0	0	112.2
258	S	26.2	Very low	31	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	77%	0.766	S	S	*	*			trans	-94.9	149	168.9	51	0	0	0	0	110.1
259	L	30.2	Very low	30.5	Very low	172 Å²	172	144.6 Å²	144.6	90%	0.901	77%	0.769	S	S	*	*			trans	-160.5	158.5	150.2	-135	87.4	0	0	0	110.4
260	S	24.7	Very low	29.9	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	77%	0.768	S	S	*	*			trans	-124.1	151.8	179.5	53.4	0	0	0	0	110.8
261	T	29.3	Very low	29.4	Very low	130 Å²	130	145.7 Å²	145.7	80%	0.798	77%	0.773	S	S	*	*			trans	-178.7	139.8	141.2	20.7	0	0	0	0	114.8
262	E	29.6	Very low	29.1	Very low	151 Å²	151	144.2 Å²	144.2	71%	0.706	77%	0.769	S	S	*	*			trans	48.2	118.6	142.7	-59.1	-154.2	105.4	0	0	125.5
263	K	25	Very low	28.8	Very low	185 Å²	185	146.1 Å²	146.1	80%	0.804	77%	0.773	S	S	*	*				43.4	126.7	125.9	-65.9	174.5	179	160.4	0	121.4
264	K	28.9	Very low	28.9	Very low	210 Å²	210	144.4 Å²	144.4	91%	0.913	77%	0.767	S	S	*	*			trans	-156.4	130.8	141.1	-130.7	170.9	-174.7	174.1	0	113.5
265	E	23.2	Very low	29.1	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	76%	0.764	S	S	*	*			trans	-100.6	158	160.2	-63.7	177.5	143.7	0	0	109.6
266	P	37.6	Very low	29	Very low	130 Å²	130	141.1 Å²	141.1	84%	0.844	76%	0.756	S	S	*	*			trans	-120.3	162.2	155	36.1	-25	0	0	0	113.2
267	N	30.1	Very low	29.2	Very low	124 Å²	124	141.6 Å²	141.6	66%	0.663	76%	0.756	S	S	*	*			trans	-123.8	145.4	-162.4	-91.2	-74.8	0	0	0	114.6
268	I	29.4	Very low	28.8	Very low	137 Å²	137	139 Å²	139	70%	0.703	75%	0.752	S	S	*	*			trans	59.5	114.2	132.9	-58.5	168.3	0	0	0	120.9
269	S	25.7	Very low	29.1	Very low	103 Å²	103	140.8 Å²	140.8	72%	0.72	76%	0.759	S	S	*	*			trans	68.5	164.7	147.9	84.3	0	0	0	0	118.5
270	C	27.3	Very low	29	Very low	97 Å²	97	137.5 Å²	137.5	66%	0.655	75%	0.75	S	S	*	*			cis	-160.4	159.8	26.3	-116.4	0	0	0	0	111.3
271	L	29.1	Very low	29.4	Very low	149 Å²	149	137.8 Å²	137.8	78%	0.78	75%	0.752	S	S	*	*			trans	45.9	148.5	141.4	-51.4	170.5	0	0	0	121
272	T	28.9	Very low	29.5	Very low	103 Å²	103	136.7 Å²	136.7	63%	0.632	75%	0.749	S	S	*	*			cis	-167.7	151.9	-7.3	17.9	0	0	0	0	109.5
273	E	28.4	Very low	29.7	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	75%	0.754	S	S	*	*			trans	45	128.2	146.9	-60.5	177.8	168.1	0	0	121.9
274	N	33.2	Very low	30	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	75%	0.753	S	S	*	*				-175.8	140.8	105.9	-101.8	-77.7	0	0	0	114.6
275	N	32.7	Very low	30.4	Very low	128 Å²	128	126.7 Å²	126.7	68%	0.684	74%	0.744	S	S	*	*			trans	37.3	106.7	146.3	-59.7	-26.1	0	0	0	120.3
276	T	29.7	Very low	30.9	Very low	116 Å²	116	125.7 Å²	125.7	71%	0.712	74%	0.743	S	S	*	*				94.6	133.5	55.9	60	0	0	0	0	116.2
277	K	31.4	Very low	30.7	Very low	185 Å²	185	126.6 Å²	126.6	80%	0.804	74%	0.735	S	S	*	*			trans	74.9	100	151	-73	172.8	178.1	176.2	0	120.5
278	T	24.4	Very low	30.7	Very low	126 Å²	126	126.8 Å²	126.8	77%	0.773	73%	0.734	S	S	*	*				30.3	128.9	114.6	59.4	0	0	0	0	120.1
279	V	32	Very low	30.9	Very low	142 Å²	142	126.9 Å²	126.9	86%	0.861	73%	0.732	S	S	*	*				-167.9	151.5	111	139.4	0	0	0	0	110.3
280	S	27.8	Very low	31.2	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	74%	0.735	S	S	*	*			trans	-94.9	149.7	178.5	55.1	0	0	0	0	113.4
281	S	33.3	Very low	31.9	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	74%	0.74	S	S	*	*				179.8	124.8	128.8	57.1	0	0	0	0	115.8
282	S	31.3	Very low	32.3	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	74%	0.739	S	S	*	*			trans	57.8	150.4	134.8	65.3	0	0	0	0	125
283	S	35.2	Very low	32.6	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	74%	0.741	S	S	*	*			trans	77.3	104.6	147.9	45.5	0	0	0	0	121.5
284	S	30.1	Very low	32.8	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	74%	0.738	S	S	*	*			trans	-67.3	-169.5	151.6	-26.6	0	0	0	0	112.2
285	P	38.4	Very low	32.8	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	74%	0.743	S	S	*	*			cis	-140.8	-167.4	-2.3	31.7	-6.4	0	0	0	116.2
286	L	32.7	Very low	32.9	Very low	148 Å²	148	133.2 Å²	133.2	78%	0.775	75%	0.747	S	S	*	*			trans	98.1	140.5	150.8	-67.6	169.6	0	0	0	122.7
287	H	33.5	Very low	33.1	Very low	148 Å²	148	133.7 Å²	133.7	69%	0.685	75%	0.75	S	S	*	*			trans	60.6	97.9	161.2	-74.3	-67.4	0	0	0	123.5
288	M	30.5	Very low	33.2	Very low	128 Å²	128	134.1 Å²	134.1	63%	0.631	76%	0.755	S	S	*	*				58.8	150.4	106.4	-70.8	172.9	80.7	0	0	124.4
289	E	32.9	Very low	33.5	Very low	140 Å²	140	135.9 Å²	135.9	65%	0.654	76%	0.759	S	S	*	*			trans	86	93.3	155.2	-68.6	-121	101.7	0	0	122.1
290	K	33.3	Very low	33.6	Very low	180 Å²	180	135.1 Å²	135.1	78%	0.783	75%	0.75	S	S	*	*			trans	72.8	145.1	132.3	-79.7	178.6	-176.8	123.9	0	123.2
291	P	40.4	Very low	33.8	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	75%	0.751	S	S	*	*			trans	-111.3	177.3	179.8	43.8	-36.3	0	0	0	114.6
292	P	38.9	Very low	33.8	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	76%	0.756	S	S	*	*			trans	-142.9	127.1	146.7	36	-19	0	0	0	117.2
293	S	34.1	Very low	33.8	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	76%	0.763	S	S	*	*			trans	39.2	123.6	133.2	68.6	0	0	0	0	125.4
294	I	33.4	Very low	33.7	Very low	139 Å²	139	142 Å²	142	71%	0.713	76%	0.757	S	S	*	*				82.2	134.5	119.5	-67.5	173.6	0	0	0	121.8
295	R	33.2	Very low	33.8	Very low	218 Å²	218	139.9 Å²	139.9	82%	0.823	75%	0.746	S	S	*	*			trans	72.5	144.8	169.7	-74.2	157.2	-157.4	175.3	5.6	115.4
296	D	33.5	Very low	33.5	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	75%	0.748	S	S	*	*			cis	-123	142.9	16.3	-71.4	-58.9	0	0	0	112
297	V	35.2	Very low	33.4	Very low	127 Å²	127	140.5 Å²	140.5	77%	0.77	74%	0.744	S	S	*	*				57.7	98.3	83.8	-171.7	0	0	0	0	116
298	E	33.5	Very low	33.2	Very low	194 Å²	194	137.7 Å²	137.7	91%	0.907	74%	0.74	S	S	*	*				-161	151.8	129.7	-116.4	173	-168.8	0	0	110.9
299	N	30	Very low	33.1	Very low	162 Å²	162	139 Å²	139	87%	0.866	75%	0.747	S	S	*	*			trans	-106.9	128.6	-177.2	-90.1	-26.5	0	0	0	110.6
300	D	35.1	Very low	33.4	Very low	126 Å²	126	136.5 Å²	136.5	67%	0.674	74%	0.741	S	S	*	*			trans	-157.7	132.2	144.9	-131.7	0.7	0	0	0	115.7
301	K	32.4	Very low	33.9	Very low	167 Å²	167	131.1 Å²	131.1	73%	0.726	72%	0.723	S	S	*	*			trans	32	98.6	153.9	-60.7	162.3	-170	87.4	0	119.4
302	Q	32.4	Very low	34.6	Very low	184 Å²	184	129.5 Å²	129.5	86%	0.86	71%	0.712	S	S	*	*			trans	-154.7	102	149.5	-114.4	150.5	26.7	0	0	114
303	S	30.5	Very low	35.9	Very low	127 Å²	127	127.9 Å²	127.9	89%	0.888	70%	0.703	S	S	*	*			trans	-110.6	67.3	177.5	59.1	0	0	0	0	111.5
304	S	32.7	Very low	37.6	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	69%	0.687	S	S	*	*			trans	-160.2	13.6	175.6	71.2	0	0	0	0	115.5
305	A	33	Very low	39.4	Very low	67 Å²	67	126.2 Å²	126.2	55%	0.554	68%	0.682	S	S	*	*			trans	-81.3	-24.9	-165	0	0	0	0	0	115.5	D307 C308	A305-D307 PolarHBondContact O-N 2.82Å; A305-C308 PolarHBondContact O-N 3Å
306	N	32	Very low	41.5	Very low	142 Å²	142	119.6 Å²	119.6	76%	0.759	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-26.8	-165	-68.8	3.7	0	0	0	114.4	C308	N306-C308 PolarHBondContact O-N 3.31Å
307	D	29.9	Very low	43.7	Very low	130 Å²	130	117.4 Å²	117.4	70%	0.695	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-11.8	179.3	-64.5	-45.8	0	0	0	113.4	A305 T310	A305-D307 PolarHBondContact O-N 2.82Å; D307-T310 PolarHBondContact O-OG1 3.1Å
308	C	29.9	Very low	45.9	Very low	89 Å²	89	111.9 Å²	111.9	60%	0.601	62%	0.616	S	S	*	*	H	α-helix	trans	-88.3	-12.8	-176.1	-160.6	0	0	0	0	114.2	A305 N306 T311	A305-C308 PolarHBondContact O-N 3Å; N306-C308 PolarHBondContact O-N 3.31Å; C308-T311 PolarHBondContact O-OG1 2.72Å
309	M	29.2	Very low	48.3	Very low	157 Å²	157	105 Å²	105	77%	0.773	59%	0.588	S	S	*	*	H	α-helix	trans	-94.4	-16.7	178.7	-71.9	-170	170.8	0	0	113.8	T312	M309-T312 PolarHBondContact O-OG1 2.79Å
310	T	38.8	Very low	50.9	Low	86 Å²	86	102.2 Å²	102.2	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-80.5	-39.9	178.5	49.8	0	0	0	0	111.8	D307 S313 E314	D307-T310 PolarHBondContact O-OG1 3.1Å; T310-S313 PolarHBondContact O-N 3.03Å; T310-E314 PolarHBondContact O-N 2.94Å; T310-E314 VanDerWaalsContact O-N 3.12Å
311	T	43	Very low	53.4	Low	67 Å²	67	96.2 Å²	96.2	41%	0.411	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-48	-177.7	52.3	0	0	0	0	112.8	C308 S313 E314 E315	C308-T311 PolarHBondContact O-OG1 2.72Å; T311-S313 VanDerWaalsContact C-N 3.27Å; T311-S313 PolarHBondContact O-N 2.6Å; T311-E314 PolarHBondContact O-N 2.69Å; T311-E315 WeakPolarHBondContact O-CG 3.39Å; T311-E315 PolarHBondContact O-N 3.42Å
312	T	54.9	Low	56.1	Low	85 Å²	85	88.3 Å²	88.3	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-33.1	-179.4	55.7	0	0	0	0	112.8	M309 S316	M309-T312 PolarHBondContact O-OG1 2.79Å; T312-S316 VanDerWaalsContact O-CB 3.23Å; T312-S316 WeakPolarHBondContact O-CB 3.27Å; T312-S316 PolarHBondContact O-N 2.85Å; T312-S316 VanDerWaalsContact O-N 3.13Å
313	S	68.2	Low	58.7	Low	83 Å²	83	83.9 Å²	83.9	58%	0.58	48%	0.482	S	S	*	.	H	α-helix	trans	-70.6	-44.3	175.1	-171.2	0	0	0	0	111.8	T310 T311 R317	T310-S313 PolarHBondContact O-N 3.03Å; T311-S313 VanDerWaalsContact C-N 3.27Å; T311-S313 PolarHBondContact O-N 2.6Å; S313-R317 VanDerWaalsContact O-CB 3.32Å; S313-R317 WeakPolarHBondContact O-CB 3.36Å; S313-R317 PolarHBondContact O-N 3.18Å
314	E	69.5	Low	61.4	Low	73 Å²	73	82.2 Å²	82.2	34%	0.341	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176	-72.9	-148.7	151.8	0	0	113.1	K221 T310 T311 R317 C318	K221-E314 IonicContact NZ-OE2 2.72Å; K221-E314 PolarHBondContact NZ-OE2 3.17Å; T310-E314 PolarHBondContact O-N 2.94Å; T310-E314 VanDerWaalsContact O-N 3.12Å; T311-E314 PolarHBondContact O-N 2.69Å; E314-R317 PolarHBondContact O-N 2.66Å; E314-C318 PolarHBondContact O-N 3.05Å; E314-C318 PolarHBondContact O-SG 3.29Å
315	E	71.3	Confident	64.3	Low	128 Å²	128	77.7 Å²	77.7	60%	0.598	43%	0.428	S	S	*	.	H	α-helix	trans	-65.3	-47.1	179.2	-72.9	177.9	170.1	0	0	111.2	T311 R317 C318 T319	T311-E315 WeakPolarHBondContact O-CG 3.39Å; T311-E315 PolarHBondContact O-N 3.42Å; E315-R317 VanDerWaalsContact C-N 3.28Å; E315-R317 PolarHBondContact O-N 3.09Å; E315-C318 PolarHBondContact O-N 3Å; E315-T319 PolarHBondContact O-N 2.67Å; E315-T319 PolarHBondContact O-OG1 2.82Å
316	S	76.8	Confident	67.1	Low	78 Å²	78	74.7 Å²	74.7	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-37.9	174.3	-174.9	0	0	0	0	112.6	T312 T319 H320	T312-S316 VanDerWaalsContact O-CB 3.23Å; T312-S316 WeakPolarHBondContact O-CB 3.27Å; T312-S316 PolarHBondContact O-N 2.85Å; T312-S316 VanDerWaalsContact O-N 3.13Å; S316-T319 PolarHBondContact O-OG1 3.48Å; S316-T319 VanDerWaalsContact O-OG1 3.09Å; S316-H320 WeakPolarHBondContact O-CB 3.34Å; S316-H320 PolarHBondContact O-N 2.75Å
317	R	80.2	Confident	70	Confident	98 Å²	98	69.4 Å²	69.4	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-38.2	174.1	-174.9	-179.3	178.4	-137.1	-5.1	112.4	Q190 S313 E314 E315 M321	Q190-R317 VanDerWaalsContact OE1-CZ 3.22Å; S313-R317 VanDerWaalsContact O-CB 3.32Å; S313-R317 WeakPolarHBondContact O-CB 3.36Å; S313-R317 PolarHBondContact O-N 3.18Å; E314-R317 PolarHBondContact O-N 2.66Å; E315-R317 VanDerWaalsContact C-N 3.28Å; E315-R317 PolarHBondContact O-N 3.09Å; R317-M321 WeakPolarHBondContact O-CB 3.4Å; R317-M321 WeakPolarHBondContact O-CG 3.42Å; R317-M321 PolarHBondContact O-N 2.71Å; R317-M321 VanDerWaalsContact O-N 3.15Å
318	C	81.3	Confident	73	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-40.3	176.8	-70	0	0	0	0	112.7	L217 E314 E315 M322	L217-C318 HydrophobicContact CD1-CB 4.44Å; E314-C318 PolarHBondContact O-N 3.05Å; E314-C318 PolarHBondContact O-SG 3.29Å; E315-C318 PolarHBondContact O-N 3Å; C318-M322 PolarHBondContact O-N 3.18Å
319	T	82.2	Confident	75.9	Confident	50 Å²	50	60.1 Å²	60.1	31%	0.307	32%	0.316	S	S	.	.	H	α-helix	trans	-70.3	-40.3	177.3	55.5	0	0	0	0	111.8	E315 S316 M321 M322 H323	E315-T319 PolarHBondContact O-N 2.67Å; E315-T319 PolarHBondContact O-OG1 2.82Å; S316-T319 PolarHBondContact O-OG1 3.48Å; S316-T319 VanDerWaalsContact O-OG1 3.09Å; T319-M321 PolarHBondContact O-N 2.94Å; T319-M322 WeakPolarHBondContact O-CB 3.43Å; T319-M322 PolarHBondContact O-N 3.3Å; T319-M322 VanDerWaalsContact O-N 3.14Å; T319-H323 PolarHBondContact O-CD2 3.06Å; T319-H323 VanDerWaalsContact O-CD2 3.3Å; T319-H323 PolarHBondContact O-N 3.17Å; T319-H323 VanDerWaalsContact O-N 3.12Å
320	H	84.8	Confident	78.8	Confident	102 Å²	102	54.7 Å²	54.7	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-47.6	173.3	-175.8	67.8	0	0	0	112	S316 M322 H323 Q324	S316-H320 WeakPolarHBondContact O-CB 3.34Å; S316-H320 PolarHBondContact O-N 2.75Å; H320-M322 VanDerWaalsContact C-N 3.25Å; H320-M322 PolarHBondContact O-N 3.38Å; H320-H323 PolarHBondContact O-N 2.78Å; H320-Q324 WeakPolarHBondContact O-CB 3.25Å; H320-Q324 PolarHBondContact O-N 2.73Å
321	M	88.2	Confident	81.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-37.1	174.5	-86.5	-62	-45.4	0	0	113.5	Q190 V193 E194 V213 W216 L217 R317 T319 C325	Q190-M321 HydrophobicContact CG-SD 3.56Å; Q190-M321 VanDerWaalsContact CG-SD 3.56Å; V193-M321 HydrophobicContact CB-CE 4.3Å; V193-M321 HydrophobicContact CG1-CE 3.78Å; E194-M321 HydrophobicContact CG-CE 4.17Å; E194-M321 HydrophobicContact CG-SD 3.57Å; E194-M321 VanDerWaalsContact CG-SD 3.57Å; E194-M321 VanDerWaalsContact OE1-SD 3.39Å; V213-M321 HydrophobicContact CG1-CE 4.49Å; W216-M321 HydrophobicContact CE3-CE 4.16Å; W216-M321 HydrophobicContact CH2-CE 4.47Å; W216-M321 HydrophobicContact CH2-SD 4.3Å; W216-M321 HydrophobicContact CZ3-CE 3.8Å; W216-M321 HydrophobicContact CZ3-CG 4.06Å; W216-M321 HydrophobicContact CZ3-SD 3.97Å; L217-M321 HydrophobicContact CD2-CB 4.39Å; L217-M321 HydrophobicContact CD2-CG 4.36Å; R317-M321 WeakPolarHBondContact O-CB 3.4Å; R317-M321 WeakPolarHBondContact O-CG 3.42Å; R317-M321 PolarHBondContact O-N 2.71Å; R317-M321 VanDerWaalsContact O-N 3.15Å; T319-M321 PolarHBondContact O-N 2.94Å; M321-C325 VanDerWaalsContact O-CB 3.32Å; M321-C325 WeakPolarHBondContact O-CB 3.49Å; M321-C325 PolarHBondContact O-N 2.95Å; M321-C325 PolarHBondContact O-SG 3.35Å; M321-C325 VanDerWaalsContact O-SG 3.41Å
322	M	89.9	Confident	83.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-52.3	178.3	-79.1	-61.8	179.7	0	0	111.7	F210 V213 C214 L217 C318 T319 H320 Q324 C325 V326 F328 L345	F210-M322 HydrophobicContact CD2-CE 4.03Å; F210-M322 HydrophobicContact CD2-SD 3.8Å; F210-M322 HydrophobicContact CE2-CE 3.71Å; F210-M322 HydrophobicContact CE2-SD 3.87Å; V213-M322 HydrophobicContact CB-CE 4.44Å; V213-M322 HydrophobicContact CB-SD 4.42Å; V213-M322 HydrophobicContact CG1-CE 3.87Å; V213-M322 HydrophobicContact CG1-SD 3.82Å; C214-M322 VanDerWaalsContact SG-CE 3.55Å; L217-M322 HydrophobicContact CD1-CE 3.92Å; C318-M322 PolarHBondContact O-N 3.18Å; T319-M322 WeakPolarHBondContact O-CB 3.43Å; T319-M322 PolarHBondContact O-N 3.3Å; T319-M322 VanDerWaalsContact O-N 3.14Å; H320-M322 VanDerWaalsContact C-N 3.25Å; H320-M322 PolarHBondContact O-N 3.38Å; M322-Q324 VanDerWaalsContact C-N 3.33Å; M322-Q324 PolarHBondContact O-N 2.68Å; M322-C325 PolarHBondContact O-N 3.16Å; M322-V326 WeakPolarHBondContact O-CB 3.48Å; M322-V326 PolarHBondContact O-N 3.43Å; M322-V326 HydrophobicContact SD-CG2 4.09Å; M322-F328 HydrophobicContact CB-CE2 4.45Å; M322-F328 HydrophobicContact CB-CZ 4.12Å; M322-F328 HydrophobicContact SD-CZ 4.44Å; M322-L345 HydrophobicContact CE-CB 4.13Å; M322-L345 HydrophobicContact CE-CD1 3.55Å; M322-L345 HydrophobicContact CE-CG 4.49Å; M322-L345 HydrophobicContact CG-CB 4.41Å
323	H	85.4	Confident	85.5	Confident	92 Å²	92	50.4 Å²	50.4	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-36.4	179.5	-73.7	-66	0	0	0	113.6	T319 H320 C325 E350	T319-H323 PolarHBondContact O-CD2 3.06Å; T319-H323 VanDerWaalsContact O-CD2 3.3Å; T319-H323 PolarHBondContact O-N 3.17Å; T319-H323 VanDerWaalsContact O-N 3.12Å; H320-H323 PolarHBondContact O-N 2.78Å; H323-C325 VanDerWaalsContact C-N 3.27Å; H323-C325 PolarHBondContact O-N 2.96Å; H323-E350 IonicContact CD2-OE1 2.96Å; H323-E350 IonicContact CE1-OE1 3.59Å; H323-E350 PolarHBondContact CE1-OE1 2.98Å; H323-E350 IonicContact NE2-OE1 2.8Å; H323-E350 PolarHBondContact NE2-OE1 2.75Å; H323-E350 IonicContact NE2-OE2 3.55Å
324	Q	87.7	Confident	86.7	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-73.3	-20.2	-179.2	-168	59.7	21.4	0	0	113	E194 H320 M322	E194-Q324 HydrophobicContact CB-CG 4.36Å; E194-Q324 HydrophobicContact CG-CG 4.26Å; H320-Q324 WeakPolarHBondContact O-CB 3.25Å; H320-Q324 PolarHBondContact O-N 2.73Å; M322-Q324 VanDerWaalsContact C-N 3.33Å; M322-Q324 PolarHBondContact O-N 2.68Å
325	C	93	Very high	87.9	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-114.3	-28.5	-174.7	-65	0	0	0	0	115	L197 I209 V213 M321 M322 H323 R368	L197-C325 HydrophobicContact CB-CB 3.87Å; L197-C325 HydrophobicContact CD1-CB 4.26Å; I209-C325 WeakPolarHBondContact CG2-O 3.44Å; V213-C325 HydrophobicContact CG2-CB 3.89Å; M321-C325 VanDerWaalsContact O-CB 3.32Å; M321-C325 WeakPolarHBondContact O-CB 3.49Å; M321-C325 PolarHBondContact O-N 2.95Å; M321-C325 PolarHBondContact O-SG 3.35Å; M321-C325 VanDerWaalsContact O-SG 3.41Å; M322-C325 PolarHBondContact O-N 3.16Å; H323-C325 VanDerWaalsContact C-N 3.27Å; H323-C325 PolarHBondContact O-N 2.96Å; C325-R368 PolarHBondContact O-NH2 3.37Å
326	V	93.7	Very high	88.9	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	23%	0.229	C	C	.	.			trans	-120.7	129.3	-167.5	-173.6	0	0	0	0	111.6	E206 I209 F210 V213 M322 F328 M331	E206-V326 HydrophobicContact CB-CG1 4.46Å; I209-V326 HydrophobicContact CG2-CG2 4.18Å; F210-V326 HydrophobicContact CB-CG1 4.03Å; F210-V326 HydrophobicContact CB-CG2 4.29Å; F210-V326 HydrophobicContact CD2-CG1 4.42Å; F210-V326 HydrophobicContact CD2-CG2 4.45Å; V213-V326 HydrophobicContact CG2-CG2 4.45Å; M322-V326 WeakPolarHBondContact O-CB 3.48Å; M322-V326 PolarHBondContact O-N 3.43Å; M322-V326 HydrophobicContact SD-CG2 4.09Å; V326-F328 HydrophobicContact CB-CE1 4.07Å; V326-F328 HydrophobicContact CB-CE2 4.16Å; V326-F328 HydrophobicContact CB-CZ 3.8Å; V326-F328 HydrophobicContact CG1-CD1 3.83Å; V326-F328 HydrophobicContact CG1-CE1 3.52Å; V326-F328 HydrophobicContact CG1-CE2 4.35Å; V326-F328 HydrophobicContact CG1-CG 4.35Å; V326-F328 HydrophobicContact CG1-CZ 3.8Å; V326-F328 PolarHBondContact O-N 3.23Å; V326-M331 HydrophobicContact CG1-SD 4.15Å
327	R	92.8	Very high	89.6	Confident	30 Å²	30	44.1 Å²	44.1	11%	0.113	22%	0.224	C	C	.	.			trans	-100.4	77.7	-179	-53.8	172.3	-173.5	-160.1	-6.6	109.8	S198 D200 E206 E329 L330 P366	S198-R327 PolarHBondContact O-NH2 3.38Å; D200-R327 IonicContact OD1-CZ 2.8Å; D200-R327 IonicContact OD1-NH1 3.47Å; D200-R327 PolarHBondContact OD1-NH1 3.17Å; D200-R327 IonicContact OD1-NH2 3.56Å; D200-R327 PolarHBondContact OD1-NH2 2.9Å; E206-R327 HydrophobicContact CG-CB 4Å; E206-R327 WeakPolarHBondContact CG-O 3.47Å; E206-R327 PolarHBondContact OE2-N 2.74Å; R327-E329 VanDerWaalsContact C-OE2 3.29Å; R327-E329 PolarHBondContact O-N 3.21Å; R327-L330 HydrophobicContact CB-CD1 3.96Å; R327-L330 HydrophobicContact CB-CG 3.97Å; R327-L330 PolarHBondContact O-N 3.32Å; R327-P366 VanDerWaalsContact CD-O 3.31Å; R327-P366 WeakPolarHBondContact CD-O 3.3Å; R327-P366 PolarHBondContact NH1-O 3.02Å
328	F	92.2	Very high	90.2	Very high	7 Å²	7	43 Å²	43	3%	0.031	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-51.7	-31.2	-173.5	-62.6	-69.1	0	0	0	113.9	F210 M322 V326 L330 M331 L336 V340 V346 A354	F210-F328 AromaticContact CD2-CE1 3.91Å; F210-F328 HydrophobicContact CD2-CE1 3.91Å; F210-F328 HydrophobicContact CD2-CZ 4.47Å; F210-F328 HydrophobicContact CE2-CE1 4.2Å; M322-F328 HydrophobicContact CB-CE2 4.45Å; M322-F328 HydrophobicContact CB-CZ 4.12Å; M322-F328 HydrophobicContact SD-CZ 4.44Å; V326-F328 HydrophobicContact CB-CE1 4.07Å; V326-F328 HydrophobicContact CB-CE2 4.16Å; V326-F328 HydrophobicContact CB-CZ 3.8Å; V326-F328 HydrophobicContact CG1-CD1 3.83Å; V326-F328 HydrophobicContact CG1-CE1 3.52Å; V326-F328 HydrophobicContact CG1-CE2 4.35Å; V326-F328 HydrophobicContact CG1-CG 4.35Å; V326-F328 HydrophobicContact CG1-CZ 3.8Å; V326-F328 PolarHBondContact O-N 3.23Å; F328-L330 PolarHBondContact O-N 3.48Å; F328-L330 VanDerWaalsContact O-N 3.14Å; F328-M331 HydrophobicContact CD1-SD 3.86Å; F328-M331 HydrophobicContact CE1-SD 4.44Å; F328-M331 PolarHBondContact O-N 2.78Å; F328-M331 VanDerWaalsContact O-N 3.12Å; F328-L336 HydrophobicContact CB-CD2 4.04Å; F328-L336 HydrophobicContact CD1-CD2 4.23Å; F328-V340 HydrophobicContact CD1-CG1 3.93Å; F328-V340 HydrophobicContact CD1-CG2 4.36Å; F328-V340 HydrophobicContact CE1-CG1 3.64Å; F328-V340 HydrophobicContact CE1-CG2 4.38Å; F328-V346 HydrophobicContact CE1-CG2 3.86Å; F328-V346 HydrophobicContact CE2-CG2 4.1Å; F328-V346 HydrophobicContact CZ-CG2 3.49Å; F328-V346 VanDerWaalsContact CZ-CG2 3.49Å; F328-A354 HydrophobicContact CB-CB 3.75Å
329	E	90.7	Very high	90.7	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.084	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60.2	-14.6	173.4	65	-91.5	-138.8	0	0	115.1	R327 R357 Q358 P366	R327-E329 VanDerWaalsContact C-OE2 3.29Å; R327-E329 PolarHBondContact O-N 3.21Å; E329-R357 HydrophobicContact CB-CB 4.45Å; E329-R357 VanDerWaalsContact CD-CZ 3.49Å; E329-R357 IonicContact OE1-CZ 2.7Å; E329-R357 IonicContact OE1-NH1 2.81Å; E329-R357 PolarHBondContact OE1-NH1 2.91Å; E329-R357 IonicContact OE1-NH2 3.85Å; E329-R357 IonicContact OE2-CZ 3.41Å; E329-R357 IonicContact OE2-NH1 2.67Å; E329-R357 PolarHBondContact OE2-NH1 2.93Å; E329-R357 IonicContact OE2-NH2 3.88Å; E329-R357 PolarHBondContact OE2-NH2 2.65Å; E329-Q358 VanDerWaalsContact C-NE2 3.26Å; E329-Q358 WeakPolarHBondContact O-CG 3.25Å; E329-Q358 PolarHBondContact O-NE2 3.01Å; E329-P366 HydrophobicContact CG-CG 4.25Å; E329-P366 VanDerWaalsContact OE1-CG 3.22Å; E329-P366 WeakPolarHBondContact OE1-CG 3.26Å
330	L	90.3	Very high	91.2	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.22	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98.4	-5.3	175.8	-44.1	-179.2	0	0	0	113.6	E206 R327 F328 M365	E206-L330 HydrophobicContact CG-CB 3.79Å; E206-L330 HydrophobicContact CG-CD1 3.86Å; E206-L330 HydrophobicContact CG-CG 4.19Å; R327-L330 HydrophobicContact CB-CD1 3.96Å; R327-L330 HydrophobicContact CB-CG 3.97Å; R327-L330 PolarHBondContact O-N 3.32Å; F328-L330 PolarHBondContact O-N 3.48Å; F328-L330 VanDerWaalsContact O-N 3.14Å; L330-M365 HydrophobicContact CD2-CB 3.73Å; L330-M365 HydrophobicContact CD2-SD 4.45Å
331	M	92.2	Very high	91.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.02	23%	0.226	C	C	.	.	S	Bend	trans	-85.3	144.7	-179.4	-61.3	-179.3	65.7	0	0	110.6	E206 I207 F210 V326 F328 E335 L336 V340 Q358	E206-M331 HydrophobicContact CB-CG 3.59Å; E206-M331 HydrophobicContact CB-SD 4.21Å; I207-M331 HydrophobicContact CB-CE 4.05Å; I207-M331 HydrophobicContact CD1-CE 3.57Å; I207-M331 HydrophobicContact CG1-CE 4.38Å; F210-M331 HydrophobicContact CB-CE 4.38Å; F210-M331 HydrophobicContact CG-CE 4.49Å; V326-M331 HydrophobicContact CG1-SD 4.15Å; F328-M331 HydrophobicContact CD1-SD 3.86Å; F328-M331 HydrophobicContact CE1-SD 4.44Å; F328-M331 PolarHBondContact O-N 2.78Å; F328-M331 VanDerWaalsContact O-N 3.12Å; M331-E335 HydrophobicContact CB-CB 4.47Å; M331-E335 HydrophobicContact CE-CB 3.97Å; M331-L336 HydrophobicContact CB-CD2 3.89Å; M331-L336 HydrophobicContact CB-CG 3.95Å; M331-L336 HydrophobicContact SD-CD2 4.21Å; M331-V340 HydrophobicContact CE-CG2 3.35Å; M331-V340 HydrophobicContact SD-CG2 3.86Å; M331-Q358 PolarHBondContact O-NE2 3.12Å
332	S	91.9	Very high	91.5	Very high	54 Å²	54	48.9 Å²	48.9	38%	0.378	26%	0.255	S	S	.	.			trans	-63.5	152.3	177.3	69.6	0	0	0	0	111.8	T334 E335 L336	S332-T334 PolarHBondContact O-N 3.15Å; S332-T334 VanDerWaalsContact O-N 3.1Å; S332-E335 WeakPolarHBondContact CB-OE2 3.5Å; S332-E335 PolarHBondContact N-OE2 3.44Å; S332-E335 PolarHBondContact O-N 2.92Å; S332-E335 VanDerWaalsContact OG-CD 3.23Å; S332-E335 WeakPolarHBondContact OG-CG 3.46Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.48Å; S332-L336 PolarHBondContact O-N 3.27Å
333	L	92.5	Very high	91.4	Very high	91 Å²	91	50.5 Å²	50.5	48%	0.476	27%	0.266	S	S	.	.	H	α-helix	trans	-53	-33.7	175.1	-176.4	63.9	0	0	0	112.2	L337 I355	L333-L337 HydrophobicContact CD1-CD1 3.79Å; L333-L337 HydrophobicContact CD1-CG 4.09Å; L333-L337 HydrophobicContact CG-CD1 3.9Å; L333-L337 HydrophobicContact CG-CG 4.47Å; L333-L337 WeakPolarHBondContact O-CB 3.49Å; L333-L337 VanDerWaalsContact O-CG 3.25Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.42Å; L333-L337 VanDerWaalsContact O-N 3.1Å; L333-I355 HydrophobicContact CD1-CD1 3.64Å; L333-I355 HydrophobicContact CD1-CG1 3.93Å; L333-I355 HydrophobicContact CD1-CG2 4.32Å
334	T	94.5	Very high	91.4	Very high	98 Å²	98	55 Å²	55	60%	0.601	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-55.2	173.6	-53.2	0	0	0	0	111.2	S332 L336 L337 T338	S332-T334 PolarHBondContact O-N 3.15Å; S332-T334 VanDerWaalsContact O-N 3.1Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 2.94Å; T334-L337 PolarHBondContact O-N 2.91Å; T334-T338 HydrophobicContact CG2-CG2 4.33Å; T334-T338 WeakPolarHBondContact O-CB 3.46Å; T334-T338 WeakPolarHBondContact O-CG2 3.26Å; T334-T338 PolarHBondContact O-N 2.9Å; T334-T338 PolarHBondContact O-OG1 2.98Å
335	E	94.7	Very high	91.3	Very high	47 Å²	47	53.1 Å²	53.1	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-38.7	-177.2	-68.8	157.5	135.3	0	0	112.4	I207 M331 S332 E339 V340	I207-E335 WeakPolarHBondContact CB-OE1 3.34Å; I207-E335 HydrophobicContact CD1-CB 4.23Å; I207-E335 HydrophobicContact CD1-CG 4.22Å; I207-E335 HydrophobicContact CG1-CG 4.25Å; I207-E335 WeakPolarHBondContact CG1-OE1 3.45Å; I207-E335 VanDerWaalsContact CG2-OE1 3.29Å; I207-E335 WeakPolarHBondContact CG2-OE1 3.38Å; M331-E335 HydrophobicContact CB-CB 4.47Å; M331-E335 HydrophobicContact CE-CB 3.97Å; S332-E335 WeakPolarHBondContact CB-OE2 3.5Å; S332-E335 PolarHBondContact N-OE2 3.44Å; S332-E335 PolarHBondContact O-N 2.92Å; S332-E335 VanDerWaalsContact OG-CD 3.23Å; S332-E335 WeakPolarHBondContact OG-CG 3.46Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.48Å; E335-E339 PolarHBondContact O-N 3.37Å; E335-V340 PolarHBondContact O-N 2.83Å
336	L	92.8	Very high	90.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-61.8	-46	174.7	-69.6	177.1	0	0	0	111.8	F328 M331 S332 T334 V340 R341 L351 A354 I355	F328-L336 HydrophobicContact CB-CD2 4.04Å; F328-L336 HydrophobicContact CD1-CD2 4.23Å; M331-L336 HydrophobicContact CB-CD2 3.89Å; M331-L336 HydrophobicContact CB-CG 3.95Å; M331-L336 HydrophobicContact SD-CD2 4.21Å; S332-L336 PolarHBondContact O-N 3.27Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 2.94Å; L336-V340 HydrophobicContact CD2-CB 4.5Å; L336-V340 HydrophobicContact CD2-CG2 4.16Å; L336-R341 WeakPolarHBondContact O-CB 3.42Å; L336-R341 PolarHBondContact O-N 3.31Å; L336-L351 HydrophobicContact CB-CD2 4.49Å; L336-L351 HydrophobicContact CD2-CD2 3.99Å; L336-A354 HydrophobicContact CD1-CB 4.49Å; L336-I355 HydrophobicContact CD1-CG1 3.84Å
337	L	90.8	Very high	90.6	Very high	85 Å²	85	55.8 Å²	55.8	45%	0.445	30%	0.296	S	S	.	.	I	π-helix	trans	-81.3	-26.3	-175.8	-66.7	179	0	0	0	114.1	L333 T334 R341	L333-L337 HydrophobicContact CD1-CD1 3.79Å; L333-L337 HydrophobicContact CD1-CG 4.09Å; L333-L337 HydrophobicContact CG-CD1 3.9Å; L333-L337 HydrophobicContact CG-CG 4.47Å; L333-L337 WeakPolarHBondContact O-CB 3.49Å; L333-L337 VanDerWaalsContact O-CG 3.25Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.42Å; L333-L337 VanDerWaalsContact O-N 3.1Å; T334-L337 PolarHBondContact O-N 2.91Å; L337-R341 WeakPolarHBondContact O-CB 3.32Å
338	T	92	Very high	90.4	Very high	74 Å²	74	57.5 Å²	57.5	45%	0.454	31%	0.312	S	S	.	.	I	π-helix	trans	-97.6	-52.3	-179.4	63.5	0	0	0	0	113.2	T334 S342	T334-T338 HydrophobicContact CG2-CG2 4.33Å; T334-T338 WeakPolarHBondContact O-CB 3.46Å; T334-T338 WeakPolarHBondContact O-CG2 3.26Å; T334-T338 PolarHBondContact O-N 2.9Å; T334-T338 PolarHBondContact O-OG1 2.98Å; T338-S342 WeakPolarHBondContact O-CB 3.48Å; T338-S342 PolarHBondContact O-OG 3.35Å
339	E	92.6	Very high	90.2	Very high	66 Å²	66	64.4 Å²	64.4	31%	0.308	34%	0.344	S	S	.	.	I	π-helix	trans	-92.9	-52.8	-173	-75.1	-177.3	-113.5	0	0	112.3	I207 R211 E335 S342 S343	I207-E339 HydrophobicContact CD1-CB 4.44Å; R211-E339 IonicContact CZ-OE1 3.09Å; R211-E339 IonicContact CZ-OE2 3.04Å; R211-E339 IonicContact NE-OE1 3.77Å; R211-E339 IonicContact NE-OE2 3.15Å; R211-E339 PolarHBondContact NE-OE2 3.46Å; R211-E339 VanDerWaalsContact NH2-CD 3.3Å; R211-E339 IonicContact NH2-OE1 3.82Å; R211-E339 PolarHBondContact NH2-OE1 2.72Å; R211-E339 IonicContact NH2-OE2 2.84Å; R211-E339 PolarHBondContact NH2-OE2 2.88Å; R211-E339 VanDerWaalsContact NH2-OE2 3.12Å; E335-E339 PolarHBondContact O-N 3.37Å; E339-S342 PolarHBondContact O-N 3.35Å; E339-S343 PolarHBondContact O-N 3.48Å; E339-S343 VanDerWaalsContact O-N 3.12Å
340	V	91.7	Very high	90.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.353	C	S	.	.	I	π-helix	trans	-65.3	-49.2	-176.1	-172.1	0	0	0	0	110.6	F210 F328 M331 E335 L336 S342 S343 V346 L351	F210-V340 HydrophobicContact CD1-CG2 4.11Å; F210-V340 HydrophobicContact CD2-CG2 4.38Å; F210-V340 HydrophobicContact CE1-CB 4.42Å; F210-V340 HydrophobicContact CE1-CG2 3.95Å; F210-V340 HydrophobicContact CE2-CB 4.43Å; F210-V340 HydrophobicContact CE2-CG1 3.91Å; F210-V340 HydrophobicContact CE2-CG2 4.23Å; F210-V340 HydrophobicContact CG-CG2 4.33Å; F210-V340 HydrophobicContact CZ-CB 4.12Å; F210-V340 HydrophobicContact CZ-CG1 4.01Å; F210-V340 HydrophobicContact CZ-CG2 4.02Å; F328-V340 HydrophobicContact CD1-CG1 3.93Å; F328-V340 HydrophobicContact CD1-CG2 4.36Å; F328-V340 HydrophobicContact CE1-CG1 3.64Å; F328-V340 HydrophobicContact CE1-CG2 4.38Å; M331-V340 HydrophobicContact CE-CG2 3.35Å; M331-V340 HydrophobicContact SD-CG2 3.86Å; E335-V340 PolarHBondContact O-N 2.83Å; L336-V340 HydrophobicContact CD2-CB 4.5Å; L336-V340 HydrophobicContact CD2-CG2 4.16Å; V340-S342 VanDerWaalsContact C-N 3.29Å; V340-S342 PolarHBondContact O-N 3.08Å; V340-S343 WeakPolarHBondContact O-CB 3.48Å; V340-S343 PolarHBondContact O-N 2.8Å; V340-S343 VanDerWaalsContact O-N 3.13Å; V340-S343 PolarHBondContact O-OG 3.18Å; V340-V346 HydrophobicContact CG1-CB 4.14Å; V340-V346 HydrophobicContact CG1-CG2 3.72Å; V340-L351 HydrophobicContact CB-CD2 4.21Å; V340-L351 HydrophobicContact CG1-CD2 3.8Å
341	R	90.7	Very high	90.1	Very high	133 Å²	133	64.7 Å²	64.7	50%	0.502	35%	0.345	S	S	.	.	H	α-helix	trans	-57	-37.9	175.1	-170.6	-179	-176.4	86.1	5.4	113.3	L336 L337 S343 L351	L336-R341 WeakPolarHBondContact O-CB 3.42Å; L336-R341 PolarHBondContact O-N 3.31Å; L337-R341 WeakPolarHBondContact O-CB 3.32Å; R341-S343 VanDerWaalsContact C-N 3.33Å; R341-L351 HydrophobicContact CB-CD1 4.08Å; R341-L351 HydrophobicContact CG-CD1 4.36Å
342	S	89.5	Confident	90.1	Very high	88 Å²	88	70 Å²	70	62%	0.615	37%	0.373	S	S	*	.	H	α-helix	trans	-74	-22.7	179.9	-64.7	0	0	0	0	113.5	T338 E339 V340 K344	T338-S342 WeakPolarHBondContact O-CB 3.48Å; T338-S342 PolarHBondContact O-OG 3.35Å; E339-S342 PolarHBondContact O-N 3.35Å; V340-S342 VanDerWaalsContact C-N 3.29Å; V340-S342 PolarHBondContact O-N 3.08Å; S342-K344 VanDerWaalsContact C-N 3.27Å; S342-K344 PolarHBondContact O-N 3.46Å
343	S	88.5	Confident	90	Very high	34 Å²	34	71.9 Å²	71.9	24%	0.238	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-29.2	176.5	77.4	0	0	0	0	113.6	E339 V340 R341 L345	E339-S343 PolarHBondContact O-N 3.48Å; E339-S343 VanDerWaalsContact O-N 3.12Å; V340-S343 WeakPolarHBondContact O-CB 3.48Å; V340-S343 PolarHBondContact O-N 2.8Å; V340-S343 VanDerWaalsContact O-N 3.13Å; V340-S343 PolarHBondContact O-OG 3.18Å; R341-S343 VanDerWaalsContact C-N 3.33Å; S343-L345 PolarHBondContact O-N 3.38Å; S343-L345 PolarHBondContact OG-N 3.32Å; S343-L345 VanDerWaalsContact OG-N 3.12Å
344	K	85	Confident	89.9	Confident	187 Å²	187	67.6 Å²	67.6	81%	0.813	36%	0.356	S	S	*	.			trans	58.2	16.7	-169.7	-50.4	179.2	-175.8	177.3	0	114.9	S342	S342-K344 VanDerWaalsContact C-N 3.27Å; S342-K344 PolarHBondContact O-N 3.46Å
345	L	85.1	Confident	89.7	Confident	51 Å²	51	64.7 Å²	64.7	27%	0.267	34%	0.337	S	S	.	.	S	Bend	trans	-90.3	-0.5	177.8	-61.6	176	0	0	0	113.6	L217 M322 S343	L217-L345 HydrophobicContact CD1-CD1 4.31Å; M322-L345 HydrophobicContact CE-CB 4.13Å; M322-L345 HydrophobicContact CE-CD1 3.55Å; M322-L345 HydrophobicContact CE-CG 4.49Å; M322-L345 HydrophobicContact CG-CB 4.41Å; S343-L345 PolarHBondContact O-N 3.38Å; S343-L345 PolarHBondContact OG-N 3.32Å; S343-L345 VanDerWaalsContact OG-N 3.12Å
346	V	85.6	Confident	89.5	Confident	13 Å²	13	66.6 Å²	66.6	8%	0.079	35%	0.349	C	S	.	.	S	Bend	trans	-136	139.6	178.7	-172.8	0	0	0	0	107.5	F328 V340 E350 L351	F328-V346 HydrophobicContact CE1-CG2 3.86Å; F328-V346 HydrophobicContact CE2-CG2 4.1Å; F328-V346 HydrophobicContact CZ-CG2 3.49Å; F328-V346 VanDerWaalsContact CZ-CG2 3.49Å; V340-V346 HydrophobicContact CG1-CB 4.14Å; V340-V346 HydrophobicContact CG1-CG2 3.72Å; V346-E350 HydrophobicContact CG1-CB 3.83Å; V346-L351 HydrophobicContact CG1-CD2 4.29Å; V346-L351 HydrophobicContact CG1-CG 4.04Å
347	S	87	Confident	89.2	Confident	49 Å²	49	71.8 Å²	71.8	34%	0.343	37%	0.368	S	S	.	.			trans	-71.6	167	179.3	75.4	0	0	0	0	112.3	E349 E350 L351	S347-E349 VanDerWaalsContact C-N 3.29Å; S347-E349 PolarHBondContact OG-N 3.1Å; S347-E350 WeakPolarHBondContact CA-OE2 3.2Å; S347-E350 WeakPolarHBondContact CB-OE2 3.28Å; S347-E350 PolarHBondContact N-OE2 2.95Å; S347-E350 VanDerWaalsContact OG-CG 3.28Å; S347-E350 WeakPolarHBondContact OG-CG 3.47Å; S347-E350 PolarHBondContact OG-N 3.09Å; S347-E350 PolarHBondContact OG-OE2 3.47Å; S347-L351 WeakPolarHBondContact O-CG 3.19Å; S347-L351 PolarHBondContact O-N 2.84Å
348	S	87.4	Confident	88.9	Confident	66 Å²	66	69.8 Å²	69.8	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-74.4	-18.2	174.4	-68.1	0	0	0	0	113.7	L352	S348-L352 WeakPolarHBondContact O-CD1 3.46Å; S348-L352 VanDerWaalsContact O-CG 3.28Å; S348-L352 WeakPolarHBondContact O-CG 3.48Å; S348-L352 PolarHBondContact O-N 3.19Å
349	E	89.5	Confident	88.6	Confident	152 Å²	152	71 Å²	71	71%	0.71	36%	0.364	S	S	*	.	H	α-helix	trans	-79.9	-47.7	178.2	-62.9	-175.3	157.5	0	0	110.3	S347 L351 L352 D353	S347-E349 VanDerWaalsContact C-N 3.29Å; S347-E349 PolarHBondContact OG-N 3.1Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 3.12Å; E349-L352 WeakPolarHBondContact O-CA 3.35Å; E349-L352 WeakPolarHBondContact O-CB 3.32Å; E349-L352 PolarHBondContact O-N 3.14Å; E349-D353 PolarHBondContact O-N 2.66Å
350	E	87.9	Confident	88.2	Confident	58 Å²	58	72.8 Å²	72.8	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-35.1	176.4	-64.2	152.7	150.4	0	0	112.5	H323 V346 S347 D353 A354	H323-E350 IonicContact CD2-OE1 2.96Å; H323-E350 IonicContact CE1-OE1 3.59Å; H323-E350 PolarHBondContact CE1-OE1 2.98Å; H323-E350 IonicContact NE2-OE1 2.8Å; H323-E350 PolarHBondContact NE2-OE1 2.75Å; H323-E350 IonicContact NE2-OE2 3.55Å; V346-E350 HydrophobicContact CG1-CB 3.83Å; S347-E350 WeakPolarHBondContact CA-OE2 3.2Å; S347-E350 WeakPolarHBondContact CB-OE2 3.28Å; S347-E350 PolarHBondContact N-OE2 2.95Å; S347-E350 VanDerWaalsContact OG-CG 3.28Å; S347-E350 WeakPolarHBondContact OG-CG 3.47Å; S347-E350 PolarHBondContact OG-N 3.09Å; S347-E350 PolarHBondContact OG-OE2 3.47Å; E350-D353 PolarHBondContact O-N 3.42Å; E350-A354 PolarHBondContact O-N 2.77Å
351	L	90.3	Very high	87.5	Confident	8 Å²	8	75.6 Å²	75.6	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-67.2	-35.6	172.6	-74.4	174.1	0	0	0	112.7	L336 V340 R341 V346 S347 E349 I355	L336-L351 HydrophobicContact CB-CD2 4.49Å; L336-L351 HydrophobicContact CD2-CD2 3.99Å; V340-L351 HydrophobicContact CB-CD2 4.21Å; V340-L351 HydrophobicContact CG1-CD2 3.8Å; R341-L351 HydrophobicContact CB-CD1 4.08Å; R341-L351 HydrophobicContact CG-CD1 4.36Å; V346-L351 HydrophobicContact CG1-CD2 4.29Å; V346-L351 HydrophobicContact CG1-CG 4.04Å; S347-L351 WeakPolarHBondContact O-CG 3.19Å; S347-L351 PolarHBondContact O-N 2.84Å; E349-L351 VanDerWaalsContact C-N 3.27Å; E349-L351 PolarHBondContact O-N 3.12Å; L351-I355 WeakPolarHBondContact O-CD1 3.21Å; L351-I355 VanDerWaalsContact O-CG1 3.31Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å; L351-I355 PolarHBondContact O-N 3.38Å
352	L	91.5	Very high	86.5	Confident	117 Å²	117	72.2 Å²	72.2	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-69.9	-40.9	174.5	-73.4	166.6	0	0	0	110.7	S348 E349 A354 I355 N356	S348-L352 WeakPolarHBondContact O-CD1 3.46Å; S348-L352 VanDerWaalsContact O-CG 3.28Å; S348-L352 WeakPolarHBondContact O-CG 3.48Å; S348-L352 PolarHBondContact O-N 3.19Å; E349-L352 WeakPolarHBondContact O-CA 3.35Å; E349-L352 WeakPolarHBondContact O-CB 3.32Å; E349-L352 PolarHBondContact O-N 3.14Å; L352-A354 VanDerWaalsContact C-N 3.35Å; L352-A354 PolarHBondContact O-N 3.43Å; L352-I355 PolarHBondContact O-N 2.76Å; L352-N356 VanDerWaalsContact O-CB 3.24Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 PolarHBondContact O-N 3.08Å
353	D	91	Very high	85.3	Confident	92 Å²	92	71.2 Å²	71.2	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-35.7	176.2	-77.4	-27.2	0	0	0	113	E349 E350 N356 R357	E349-D353 PolarHBondContact O-N 2.66Å; E350-D353 PolarHBondContact O-N 3.42Å; D353-N356 PolarHBondContact O-N 3.3Å; D353-R357 WeakPolarHBondContact O-CB 3.46Å; D353-R357 WeakPolarHBondContact O-CG 3.39Å; D353-R357 PolarHBondContact O-N 3.16Å
354	A	89.5	Confident	84.4	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.008	41%	0.405	C	S	.	.	H	α-helix	trans	-61.4	-48.4	172	0	0	0	0	0	112	F328 L336 E350 L352 N356 R357 Q358	F328-A354 HydrophobicContact CB-CB 3.75Å; L336-A354 HydrophobicContact CD1-CB 4.49Å; E350-A354 PolarHBondContact O-N 2.77Å; L352-A354 VanDerWaalsContact C-N 3.35Å; L352-A354 PolarHBondContact O-N 3.43Å; A354-N356 VanDerWaalsContact C-N 3.34Å; A354-N356 PolarHBondContact O-N 3.37Å; A354-R357 PolarHBondContact O-N 2.88Å; A354-Q358 WeakPolarHBondContact O-CG 3.49Å; A354-Q358 PolarHBondContact O-N 2.92Å
355	I	90.4	Very high	84.1	Confident	38 Å²	38	70.6 Å²	70.6	20%	0.195	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-36.3	178.2	-64.8	165.1	0	0	0	111.3	L333 L336 L351 L352 Q358 T359	L333-I355 HydrophobicContact CD1-CD1 3.64Å; L333-I355 HydrophobicContact CD1-CG1 3.93Å; L333-I355 HydrophobicContact CD1-CG2 4.32Å; L336-I355 HydrophobicContact CD1-CG1 3.84Å; L351-I355 WeakPolarHBondContact O-CD1 3.21Å; L351-I355 VanDerWaalsContact O-CG1 3.31Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å; L351-I355 PolarHBondContact O-N 3.38Å; L352-I355 PolarHBondContact O-N 2.76Å; I355-Q358 WeakPolarHBondContact O-CB 3.34Å; I355-Q358 PolarHBondContact O-N 3.35Å; I355-T359 PolarHBondContact O-N 2.77Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 2.9Å
356	N	91	Very high	84	Confident	87 Å²	87	70.7 Å²	70.7	47%	0.465	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-41.4	177.1	-166.2	35.1	0	0	0	111.3	L352 D353 A354 T359 N360	L352-N356 VanDerWaalsContact O-CB 3.24Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 PolarHBondContact O-N 3.08Å; D353-N356 PolarHBondContact O-N 3.3Å; A354-N356 VanDerWaalsContact C-N 3.34Å; A354-N356 PolarHBondContact O-N 3.37Å; N356-T359 PolarHBondContact O-N 3.26Å; N356-N360 PolarHBondContact O-N 3.22Å; N356-N360 PolarHBondContact O-ND2 3.27Å; N356-N360 VanDerWaalsContact O-ND2 3.15Å; N356-N360 PolarHBondContact OD1-ND2 2.83Å
357	R	86.4	Confident	84.1	Confident	109 Å²	109	73 Å²	73	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-67.3	-38.5	175.1	-72.8	-173.8	-64	133.8	4	112.8	E329 D353 A354 T359 C361	E329-R357 HydrophobicContact CB-CB 4.45Å; E329-R357 VanDerWaalsContact CD-CZ 3.49Å; E329-R357 IonicContact OE1-CZ 2.7Å; E329-R357 IonicContact OE1-NH1 2.81Å; E329-R357 PolarHBondContact OE1-NH1 2.91Å; E329-R357 IonicContact OE1-NH2 3.85Å; E329-R357 IonicContact OE2-CZ 3.41Å; E329-R357 IonicContact OE2-NH1 2.67Å; E329-R357 PolarHBondContact OE2-NH1 2.93Å; E329-R357 IonicContact OE2-NH2 3.88Å; E329-R357 PolarHBondContact OE2-NH2 2.65Å; D353-R357 WeakPolarHBondContact O-CB 3.46Å; D353-R357 WeakPolarHBondContact O-CG 3.39Å; D353-R357 PolarHBondContact O-N 3.16Å; A354-R357 PolarHBondContact O-N 2.88Å; R357-T359 VanDerWaalsContact C-N 3.3Å; R357-T359 PolarHBondContact O-N 3.41Å; R357-C361 WeakPolarHBondContact O-CA 3.19Å; R357-C361 PolarHBondContact O-N 2.89Å
358	Q	85.3	Confident	84.4	Confident	42 Å²	42	71.4 Å²	71.4	20%	0.196	38%	0.377	C	S	.	.	H	α-helix	trans	-57	-43.4	171	-76.2	172.7	1	0	0	112.7	E329 M331 A354 I355 M365	E329-Q358 VanDerWaalsContact C-NE2 3.26Å; E329-Q358 WeakPolarHBondContact O-CG 3.25Å; E329-Q358 PolarHBondContact O-NE2 3.01Å; M331-Q358 PolarHBondContact O-NE2 3.12Å; A354-Q358 WeakPolarHBondContact O-CG 3.49Å; A354-Q358 PolarHBondContact O-N 2.92Å; I355-Q358 WeakPolarHBondContact O-CB 3.34Å; I355-Q358 PolarHBondContact O-N 3.35Å; Q358-M365 HydrophobicContact CG-SD 4.4Å
359	T	84.2	Confident	84.7	Confident	100 Å²	100	68.3 Å²	68.3	61%	0.613	36%	0.355	S	S	*	.	H	α-helix	trans	-73.8	-40.9	-174	-54.4	0	0	0	0	111.8	I355 N356 R357	I355-T359 PolarHBondContact O-N 2.77Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 2.9Å; N356-T359 PolarHBondContact O-N 3.26Å; R357-T359 VanDerWaalsContact C-N 3.3Å; R357-T359 PolarHBondContact O-N 3.41Å
360	N	84.7	Confident	84.8	Confident	104 Å²	104	62 Å²	62	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-98.7	-26.5	-170.7	-58.1	-34.3	0	0	0	114.4	N356	N356-N360 PolarHBondContact O-N 3.22Å; N356-N360 PolarHBondContact O-ND2 3.27Å; N356-N360 VanDerWaalsContact O-ND2 3.15Å; N356-N360 PolarHBondContact OD1-ND2 2.83Å
361	C	76.9	Confident	84.9	Confident	58 Å²	58	61.3 Å²	61.3	39%	0.392	32%	0.323	S	S	.	.			trans	-127	40	-171.6	-58.2	0	0	0	0	114.4	R357 T363 E364	R357-C361 WeakPolarHBondContact O-CA 3.19Å; R357-C361 PolarHBondContact O-N 2.89Å; C361-T363 PolarHBondContact O-N 2.97Å; C361-E364 PolarHBondContact O-N 3.39Å
362	P	69.5	Low	84.8	Confident	62 Å²	62	61.2 Å²	61.2	40%	0.403	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	-173.1	27.7	-36.8	0	0	0	113.9	M365	P362-M365 HydrophobicContact CB-CE 4.37Å; P362-M365 WeakPolarHBondContact O-CE 3.39Å
363	T	65.1	Low	84.6	Confident	67 Å²	67	56.3 Å²	56.3	41%	0.411	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.5	-177	61.5	0	0	0	0	114	C361 R673	C361-T363 PolarHBondContact O-N 2.97Å; T363-R673 PolarHBondContact O-NH2 2.95Å
364	E	70.4	Confident	84.3	Confident	162 Å²	162	53.7 Å²	53.7	76%	0.757	29%	0.292	S	S	*	.	S	Bend	trans	-117.1	10.9	-172.8	-63	-173.4	163.2	0	0	112.6	C361	C361-E364 PolarHBondContact O-N 3.39Å
365	M	77.5	Confident	84.2	Confident	47 Å²	47	55.7 Å²	55.7	23%	0.232	30%	0.304	C	S	.	.			trans	-61	136.3	-180	-65.9	-167.6	-63.7	0	0	111.9	L330 Q358 P362 H367	L330-M365 HydrophobicContact CD2-CB 3.73Å; L330-M365 HydrophobicContact CD2-SD 4.45Å; Q358-M365 HydrophobicContact CG-SD 4.4Å; P362-M365 HydrophobicContact CB-CE 4.37Å; P362-M365 WeakPolarHBondContact O-CE 3.39Å; M365-H367 PolarHBondContact O-CD2 3.24Å; M365-H367 VanDerWaalsContact O-CD2 3.27Å; M365-H367 PolarHBondContact O-N 3.43Å
366	P	83.1	Confident	84.3	Confident	53 Å²	53	54.2 Å²	54.2	34%	0.344	30%	0.297	S	S	.	.			trans	-80.2	64	-172.8	33.9	-37	0	0	0	111.7	R327 E329	R327-P366 VanDerWaalsContact CD-O 3.31Å; R327-P366 WeakPolarHBondContact CD-O 3.3Å; R327-P366 PolarHBondContact NH1-O 3.02Å; E329-P366 HydrophobicContact CG-CG 4.25Å; E329-P366 VanDerWaalsContact OE1-CG 3.22Å; E329-P366 WeakPolarHBondContact OE1-CG 3.26Å
367	H	87.7	Confident	84.4	Confident	62 Å²	62	50.2 Å²	50.2	29%	0.287	28%	0.275	S	S	.	.			trans	-58.9	146.7	178.8	-69.4	-80.7	0	0	0	112.6	M365 L646 V674	M365-H367 PolarHBondContact O-CD2 3.24Å; M365-H367 VanDerWaalsContact O-CD2 3.27Å; M365-H367 PolarHBondContact O-N 3.43Å; H367-L646 HydrophobicContact CB-CD1 4.12Å; H367-L646 WeakPolarHBondContact CD2-CD1 3.28Å; H367-L646 VanDerWaalsContact CG-CD1 3.49Å; H367-V674 HydrophobicContact CB-CB 4.16Å; H367-V674 HydrophobicContact CB-CG2 3.93Å; H367-V674 WeakPolarHBondContact O-CG2 3.16Å
368	R	93.6	Very high	84.6	Confident	15 Å²	15	45 Å²	45	6%	0.057	26%	0.256	C	S	.	.			trans	-86.5	151.2	166.7	-60.1	-171	-155.8	-108	5.4	111.4	L197 R199 D200 F202 E206 I209 C325	L197-R368 PolarHBondContact O-NH1 2.79Å; L197-R368 PolarHBondContact O-NH2 2.96Å; R199-R368 PolarHBondContact O-NH1 3.24Å; D200-R368 CarbonylContact O-C 3.49Å; D200-R368 WeakPolarHBondContact O-CA 3.32Å; D200-R368 VanDerWaalsContact O-CB 3.31Å; D200-R368 WeakPolarHBondContact O-CB 3.42Å; F202-R368 WeakPolarHBondContact O-CD 3.4Å; E206-R368 IonicContact OE1-CZ 3.06Å; E206-R368 IonicContact OE1-NE 3.12Å; E206-R368 PolarHBondContact OE1-NE 3.29Å; E206-R368 IonicContact OE1-NH2 3.88Å; E206-R368 PolarHBondContact OE1-NH2 3.34Å; E206-R368 IonicContact OE2-CZ 3.46Å; E206-R368 IonicContact OE2-NE 3.37Å; E206-R368 IonicContact OE2-NH2 4Å; E206-R368 PolarHBondContact OE2-NH2 2.66Å; I209-R368 VanDerWaalsContact CD1-NE 3.32Å; C325-R368 PolarHBondContact O-NH2 3.37Å
369	G	92.7	Very high	84.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.			trans	-162.9	148.2	178	0	0	0	0	0	111.8	D200 S201 L371 P620 I622	D200-G369 PolarHBondContact O-N 2.94Å; S201-G369 VanDerWaalsContact CA-O 3.3Å; S201-G369 WeakPolarHBondContact CA-O 3.49Å; G369-L371 PolarHBondContact O-N 3.19Å; G369-P620 CarbonylContact C-O 3.58Å; G369-P620 WeakPolarHBondContact CA-O 3.45Å; G369-I622 VanDerWaalsContact O-CD1 3.28Å; G369-I622 WeakPolarHBondContact O-CD1 3.43Å; G369-I622 WeakPolarHBondContact O-CG1 3.45Å
370	W	91.6	Very high	84.9	Confident	20 Å²	20	42.6 Å²	42.6	8%	0.076	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-61.6	130.6	-178.1	-168.1	43.9	0	0	0	111.7	C203 L372 L377 F382 P620 S621 I622	C203-W370 HydrophobicContact CB-CB 4.16Å; W370-L372 HydrophobicContact CD2-CD1 4.47Å; W370-L372 HydrophobicContact CD2-CG 4.3Å; W370-L372 HydrophobicContact CE3-CD1 4.38Å; W370-L372 HydrophobicContact CH2-CD1 3.45Å; W370-L372 VanDerWaalsContact CH2-CD1 3.45Å; W370-L372 HydrophobicContact CH2-CG 4.26Å; W370-L372 HydrophobicContact CZ2-CD1 3.52Å; W370-L372 HydrophobicContact CZ2-CD2 4.24Å; W370-L372 HydrophobicContact CZ2-CG 3.95Å; W370-L372 HydrophobicContact CZ3-CD1 3.89Å; W370-L377 HydrophobicContact CE3-CD2 3.87Å; W370-L377 HydrophobicContact CZ3-CD2 3.88Å; W370-F382 AromaticContact CH2-CD1 3.7Å; W370-F382 HydrophobicContact CH2-CD1 3.7Å; W370-F382 HydrophobicContact CH2-CE1 4.03Å; W370-F382 HydrophobicContact CZ3-CB 4.37Å; W370-F382 AromaticContact CZ3-CD1 3.89Å; W370-F382 HydrophobicContact CZ3-CD1 3.89Å; W370-F382 HydrophobicContact CZ3-CG 4.26Å; W370-P620 PolarHBondContact N-O 3.07Å; W370-S621 CarbonylContact O-C 3.53Å; W370-S621 WeakPolarHBondContact O-CA 3.26Å; W370-S621 WeakPolarHBondContact O-CB 3.44Å; W370-I622 PolarHBondContact O-N 2.95Å
371	L	91.2	Very high	85	Confident	43 Å²	43	43.5 Å²	43.5	23%	0.225	24%	0.241	C	C	.	.			trans	-116.6	111.5	-176.8	176.7	57.4	0	0	0	110.8	G369 I622 Y700	G369-L371 PolarHBondContact O-N 3.19Å; L371-I622 HydrophobicContact CB-CB 4.32Å; L371-I622 HydrophobicContact CB-CD1 4.35Å; L371-I622 HydrophobicContact CD1-CB 4.12Å; L371-I622 HydrophobicContact CD1-CG2 4.09Å; L371-Y700 HydrophobicContact CD1-CD1 3.8Å; L371-Y700 HydrophobicContact CD1-CD2 3.67Å; L371-Y700 HydrophobicContact CD1-CE1 4.33Å; L371-Y700 HydrophobicContact CD1-CE2 4.2Å; L371-Y700 HydrophobicContact CD1-CG 3.43Å; L371-Y700 VanDerWaalsContact CD1-CG 3.43Å
372	L	88.1	Confident	85.5	Confident	7 Å²	7	42 Å²	42	4%	0.037	23%	0.228	C	C	.	.			trans	-121.7	101	166.9	-65.1	-175.4	0	0	0	109.6	W370 V375 L377	W370-L372 HydrophobicContact CD2-CD1 4.47Å; W370-L372 HydrophobicContact CD2-CG 4.3Å; W370-L372 HydrophobicContact CE3-CD1 4.38Å; W370-L372 HydrophobicContact CH2-CD1 3.45Å; W370-L372 VanDerWaalsContact CH2-CD1 3.45Å; W370-L372 HydrophobicContact CH2-CG 4.26Å; W370-L372 HydrophobicContact CZ2-CD1 3.52Å; W370-L372 HydrophobicContact CZ2-CD2 4.24Å; W370-L372 HydrophobicContact CZ2-CG 3.95Å; W370-L372 HydrophobicContact CZ3-CD1 3.89Å; L372-V375 HydrophobicContact CB-CB 3.75Å; L372-V375 HydrophobicContact CB-CG1 4.45Å; L372-V375 HydrophobicContact CB-CG2 3.9Å; L372-V375 HydrophobicContact CD1-CB 4.16Å; L372-V375 HydrophobicContact CD1-CG1 3.99Å; L372-V375 HydrophobicContact CD1-CG2 4.22Å; L372-L377 HydrophobicContact CD1-CD2 4.42Å
373	P	86.4	Confident	86.5	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.084	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-54.3	139.5	170.6	-25.2	35.2	0	0	0	111.8	V375 Y700	P373-V375 PolarHBondContact O-N 3.43Å; P373-Y700 HydrophobicContact CB-CD1 4.36Å; P373-Y700 HydrophobicContact CG-CD1 4.38Å
374	G	85.2	Confident	87.8	Confident	38 Å²	38	38.3 Å²	38.3	39%	0.392	21%	0.213	S	C	.	.	S	Bend	trans	70.2	-27.8	177.4	0	0	0	0	0	116.7	Y700	G374-Y700 PolarHBondContact N-O 2.96Å
375	V	87.9	Confident	89	Confident	42 Å²	42	32.9 Å²	32.9	26%	0.255	19%	0.194	S	C	.	.			trans	-71.9	130.7	-174.6	179.4	0	0	0	0	111.4	L372 P373 L377 F382 F699	L372-V375 HydrophobicContact CB-CB 3.75Å; L372-V375 HydrophobicContact CB-CG1 4.45Å; L372-V375 HydrophobicContact CB-CG2 3.9Å; L372-V375 HydrophobicContact CD1-CB 4.16Å; L372-V375 HydrophobicContact CD1-CG1 3.99Å; L372-V375 HydrophobicContact CD1-CG2 4.22Å; P373-V375 PolarHBondContact O-N 3.43Å; V375-L377 PolarHBondContact O-N 3.47Å; V375-L377 VanDerWaalsContact O-N 3.09Å; V375-F382 HydrophobicContact CG1-CD2 4.37Å; V375-F382 HydrophobicContact CG1-CE2 3.45Å; V375-F382 VanDerWaalsContact CG1-CE2 3.45Å; V375-F382 HydrophobicContact CG1-CZ 3.64Å; V375-F699 WeakPolarHBondContact O-CB 3.34Å
376	N	92.1	Very high	89.8	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.037	19%	0.193	C	C	.	.			trans	-72.7	101.1	172.1	-178.7	34	0	0	0	110.8	A378 C379 F382 V399 R697 C698	N376-A378 PolarHBondContact ND2-O 2.92Å; N376-A378 PolarHBondContact O-N 3.42Å; N376-A378 WeakPolarHBondContact OD1-CB 3.44Å; N376-A378 PolarHBondContact OD1-N 2.96Å; N376-C379 WeakPolarHBondContact O-CB 3.27Å; N376-F382 WeakPolarHBondContact O-CD2 3.44Å; N376-V399 PolarHBondContact ND2-O 2.92Å; N376-R697 VanDerWaalsContact OD1-CA 3.25Å; N376-R697 WeakPolarHBondContact OD1-CA 3.37Å; N376-C698 PolarHBondContact OD1-N 3.04Å; N376-C698 PolarHBondContact OD1-O 3.25Å
377	L	92.1	Very high	90.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	20%	0.197	C	C	.	.	S	Bend	trans	-70.7	-22.7	175.9	-64.4	164.5	0	0	0	112	W370 L372 V375 C379 L617 V623 C698	W370-L377 HydrophobicContact CE3-CD2 3.87Å; W370-L377 HydrophobicContact CZ3-CD2 3.88Å; L372-L377 HydrophobicContact CD1-CD2 4.42Å; V375-L377 PolarHBondContact O-N 3.47Å; V375-L377 VanDerWaalsContact O-N 3.09Å; L377-C379 PolarHBondContact O-N 3.12Å; L377-L617 HydrophobicContact CB-CD2 4.37Å; L377-V623 HydrophobicContact CD1-CG2 3.79Å; L377-C698 PolarHBondContact N-O 3Å
378	A	91.5	Very high	90.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-77.9	61.7	168.2	0	0	0	0	0	111.2	N376 C384 F398 F696 C698	N376-A378 PolarHBondContact ND2-O 2.92Å; N376-A378 PolarHBondContact O-N 3.42Å; N376-A378 WeakPolarHBondContact OD1-CB 3.44Å; N376-A378 PolarHBondContact OD1-N 2.96Å; A378-C384 VanDerWaalsContact CA-SG 3.6Å; A378-F398 HydrophobicContact CB-CD1 4.05Å; A378-F398 HydrophobicContact CB-CE1 4.23Å; A378-F398 WeakPolarHBondContact O-CB 3.47Å; A378-F398 VanDerWaalsContact O-CD1 3.28Å; A378-F398 WeakPolarHBondContact O-CD1 3.38Å; A378-F696 HydrophobicContact CB-CD1 3.7Å; A378-F696 HydrophobicContact CB-CE1 3.86Å; A378-C698 HydrophobicContact CB-CB 3.83Å
379	C	88.7	Confident	90.5	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.088	21%	0.207	C	C	.	.	S	Bend	trans	-135.6	134.6	173.6	-178.9	0	0	0	0	109.7	N376 L377 R381 F382 C384 E400	N376-C379 WeakPolarHBondContact O-CB 3.27Å; L377-C379 PolarHBondContact O-N 3.12Å; C379-R381 PolarHBondContact O-N 3.49Å; C379-F382 HydrophobicContact CB-CD2 3.99Å; C379-F382 HydrophobicContact CB-CE2 4.39Å; C379-F382 PolarHBondContact O-N 3.43Å; C379-C384 VanDerWaalsContact O-CB 3.27Å; C379-C384 WeakPolarHBondContact O-CB 3.48Å; C379-C384 PolarHBondContact O-N 3.49Å; C379-E400 HydrophobicContact CB-CG 4.23Å; C379-E400 PolarHBondContact SG-OE1 3.01Å
380	P	87.5	Confident	90.5	Very high	79 Å²	79	37.5 Å²	37.5	51%	0.513	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-55.3	-25.4	178.4	-29.3	36.6	0	0	0	114.8	F382 G383 F398	P380-F382 PolarHBondContact O-N 3.17Å; P380-G383 PolarHBondContact O-N 2.69Å; P380-F398 HydrophobicContact CG-CD2 3.94Å
381	R	85.9	Confident	90.2	Very high	123 Å²	123	42.3 Å²	42.3	46%	0.464	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-58	-28.4	173.3	179.9	161.7	66.6	140.8	-9.9	113.3	C379 E400 N411	C379-R381 PolarHBondContact O-N 3.49Å; R381-E400 IonicContact CZ-OE1 3.88Å; R381-E400 VanDerWaalsContact CZ-OE1 3.28Å; R381-E400 IonicContact CZ-OE2 3.35Å; R381-E400 IonicContact NE-OE1 3.83Å; R381-E400 PolarHBondContact NE-OE1 2.7Å; R381-E400 IonicContact NE-OE2 2.74Å; R381-E400 IonicContact NH2-OE1 2.73Å; R381-E400 PolarHBondContact NH2-OE1 3.01Å; R381-E400 IonicContact NH2-OE2 3.73Å; R381-E400 PolarHBondContact NH2-OE2 2.82Å; R381-N411 PolarHBondContact NH1-OD1 3.1Å
382	F	88	Confident	89.8	Confident	25 Å²	25	41.1 Å²	41.1	11%	0.11	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-100.6	23.3	175.7	-54.8	-59.5	0	0	0	112.5	W370 V375 N376 C379 P380 C384 G618	W370-F382 AromaticContact CH2-CD1 3.7Å; W370-F382 HydrophobicContact CH2-CD1 3.7Å; W370-F382 HydrophobicContact CH2-CE1 4.03Å; W370-F382 HydrophobicContact CZ3-CB 4.37Å; W370-F382 AromaticContact CZ3-CD1 3.89Å; W370-F382 HydrophobicContact CZ3-CD1 3.89Å; W370-F382 HydrophobicContact CZ3-CG 4.26Å; V375-F382 HydrophobicContact CG1-CD2 4.37Å; V375-F382 HydrophobicContact CG1-CE2 3.45Å; V375-F382 VanDerWaalsContact CG1-CE2 3.45Å; V375-F382 HydrophobicContact CG1-CZ 3.64Å; N376-F382 WeakPolarHBondContact O-CD2 3.44Å; C379-F382 HydrophobicContact CB-CD2 3.99Å; C379-F382 HydrophobicContact CB-CE2 4.39Å; C379-F382 PolarHBondContact O-N 3.43Å; P380-F382 PolarHBondContact O-N 3.17Å; F382-C384 VanDerWaalsContact C-N 3.27Å; F382-C384 PolarHBondContact O-N 3.49Å; F382-G618 WeakPolarHBondContact O-CA 3.47Å; F382-G618 PolarHBondContact O-N 2.76Å
383	G	89.9	Confident	89.8	Confident	44 Å²	44	45.7 Å²	45.7	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	14.2	-179.5	0	0	0	0	0	114.7	P380 G618	P380-G383 PolarHBondContact O-N 2.69Å; G383-G618 WeakPolarHBondContact O-CA 3.4Å
384	C	93.4	Very high	89.9	Confident	8 Å²	8	46.3 Å²	46.3	5%	0.054	28%	0.281	C	S	.	.			trans	-66.8	136.4	177.1	-176.3	0	0	0	0	111.6	A378 C379 F382 R616	A378-C384 VanDerWaalsContact CA-SG 3.6Å; C379-C384 VanDerWaalsContact O-CB 3.27Å; C379-C384 WeakPolarHBondContact O-CB 3.48Å; C379-C384 PolarHBondContact O-N 3.49Å; F382-C384 VanDerWaalsContact C-N 3.27Å; F382-C384 PolarHBondContact O-N 3.49Å; C384-R616 CarbonylContact C-O 3.48Å; C384-R616 VanDerWaalsContact CA-O 3.23Å; C384-R616 WeakPolarHBondContact CA-O 3.21Å; C384-R616 PolarHBondContact SG-O 3.12Å
385	S	93.9	Very high	89.8	Confident	49 Å²	49	49.7 Å²	49.7	34%	0.343	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.5	-177.6	48.3	0	0	0	0	112.4	I615 R616	S385-I615 WeakPolarHBondContact O-CA 3.49Å; S385-R616 PolarHBondContact N-O 3.15Å; S385-R616 PolarHBondContact O-N 2.85Å
386	L	94.6	Very high	89.6	Confident	42 Å²	42	50.5 Å²	50.5	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.5	168.2	-173.6	73.4	0	0	0	108.1	A388 N391 V602 I613 I615	L386-A388 WeakPolarHBondContact CD1-O 3.43Å; L386-N391 HydrophobicContact CD2-CB 3.92Å; L386-V602 HydrophobicContact CD1-CG1 3.93Å; L386-V602 HydrophobicContact CD2-CG1 3.88Å; L386-V602 HydrophobicContact CD2-CG2 4.19Å; L386-I613 HydrophobicContact CD1-CG2 3.94Å; L386-I615 HydrophobicContact CD1-CG1 4.02Å
387	I	94.1	Very high	89.5	Confident	83 Å²	83	50.7 Å²	50.7	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-40.5	178	-69.6	-175.5	0	0	0	111.3	I614 R616 F677	I387-I614 HydrophobicContact CB-CB 4.16Å; I387-I614 HydrophobicContact CB-CG2 4Å; I387-I614 HydrophobicContact CD1-CG2 4.5Å; I387-I614 HydrophobicContact CG2-CB 4.46Å; I387-I614 HydrophobicContact CG2-CG2 4.34Å; I387-I614 PolarHBondContact N-O 2.88Å; I387-R616 HydrophobicContact CD1-CB 3.64Å; I387-R616 HydrophobicContact CD1-CG 4.39Å; I387-R616 HydrophobicContact CG1-CB 4.09Å; I387-F677 HydrophobicContact CD1-CD1 4.04Å; I387-F677 HydrophobicContact CD1-CE1 3.81Å
388	A	94.3	Very high	89.2	Confident	29 Å²	29	52.2 Å²	52.2	24%	0.24	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.6	-177.5	0	0	0	0	0	111.4	L386 N612 I613 I614	L386-A388 WeakPolarHBondContact CD1-O 3.43Å; A388-N612 CarbonylContact C-O 3.54Å; A388-I613 WeakPolarHBondContact O-CA 3.26Å; A388-I614 HydrophobicContact CB-CB 3.87Å; A388-I614 HydrophobicContact CB-CD1 4.06Å; A388-I614 HydrophobicContact CB-CG1 3.92Å; A388-I614 PolarHBondContact N-O 3.17Å; A388-I614 PolarHBondContact O-N 2.89Å
389	G	91.9	Very high	88.2	Confident	31 Å²	31	53.3 Å²	53.3	32%	0.32	31%	0.311	S	S	.	.	S	Bend	trans	106.3	150.6	-167.3	0	0	0	0	0	111.3	N391 N612	G389-N391 PolarHBondContact O-N 3.4Å; G389-N612 PolarHBondContact N-O 3.02Å
390	E	91.9	Very high	86.8	Confident	88 Å²	88	56.8 Å²	56.8	41%	0.411	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-68.7	120.4	168.1	-69	173.6	-128.6	0	0	108.3	V602 R603	E390-V602 WeakPolarHBondContact O-CA 3.48Å; E390-R603 HydrophobicContact CB-CG 3.75Å; E390-R603 PolarHBondContact N-O 2.82Å; E390-R603 PolarHBondContact O-N 2.99Å; E390-R603 IonicContact OE2-CZ 3.33Å; E390-R603 IonicContact OE2-NE 2.74Å; E390-R603 PolarHBondContact OE2-NE 3.16Å; E390-R603 VanDerWaalsContact OE2-NE 3.09Å; E390-R603 IonicContact OE2-NH2 2.91Å; E390-R603 PolarHBondContact OE2-NH2 3.2Å
391	N	84.9	Confident	85.2	Confident	122 Å²	122	55.6 Å²	55.6	65%	0.652	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-76.5	141	-179.2	-167.1	29.9	0	0	0	111.5	L386 G389	L386-N391 HydrophobicContact CD2-CB 3.92Å; G389-N391 PolarHBondContact O-N 3.4Å
392	G	83.6	Confident	83.2	Confident	17 Å²	17	54.6 Å²	54.6	18%	0.175	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-86.7	168.6	178.3	0	0	0	0	0	113.9	D600	G392-D600 CarbonylContact C-O 3.05Å; G392-D600 WeakPolarHBondContact CA-O 3.49Å
393	T	88.3	Confident	80.9	Confident	103 Å²	103	57.9 Å²	57.9	63%	0.632	34%	0.343	S	S	*	.	S	Bend	trans	-85.8	-18.1	168.4	55.6	0	0	0	0	112.6	P395 D600	T393-P395 WeakPolarHBondContact O-CD 3.4Å; T393-D600 PolarHBondContact N-O 3.04Å; T393-D600 VanDerWaalsContact OG1-CA 3.24Å; T393-D600 WeakPolarHBondContact OG1-CA 3.26Å; T393-D600 WeakPolarHBondContact OG1-CB 3.48Å; T393-D600 PolarHBondContact OG1-OD1 3.06Å
394	Y	87.7	Confident	78.2	Confident	27 Å²	27	63.3 Å²	63.3	11%	0.106	36%	0.362	C	S	.	.			trans	-69.3	112.5	-173.7	-176.2	-119.1	0	0	0	111.4	H396 P593 P595 D600 V601 I694	Y394-H396 HydrophobicContact CD1-CB 4.12Å; Y394-H396 HydrophobicContact CE1-CB 3.56Å; Y394-H396 HydrophobicContact CE2-CB 4.22Å; Y394-H396 AromaticContact CE2-CD2 4Å; Y394-H396 PolarHBondContact O-N 3.39Å; Y394-P593 WeakPolarHBondContact CE2-O 3.4Å; Y394-P593 PolarHBondContact OH-O 2.88Å; Y394-P595 HydrophobicContact CD2-CB 3.79Å; Y394-P595 HydrophobicContact CE2-CB 3.96Å; Y394-P595 HydrophobicContact CG-CB 4.12Å; Y394-D600 WeakPolarHBondContact CB-O 3.29Å; Y394-D600 PolarHBondContact N-O 2.87Å; Y394-V601 HydrophobicContact CD1-CG1 4.39Å; Y394-V601 HydrophobicContact CG-CG1 4.49Å; Y394-I694 HydrophobicContact CD1-CG2 4.25Å; Y394-I694 WeakPolarHBondContact CD1-O 3.24Å; Y394-I694 HydrophobicContact CE1-CG2 3.55Å; Y394-I694 WeakPolarHBondContact CE1-O 3.31Å
395	P	83.7	Confident	75.4	Confident	109 Å²	109	66.4 Å²	66.4	71%	0.708	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.5	-171.1	30.6	-36.9	0	0	0	113.7	T393	T393-P395 WeakPolarHBondContact O-CD 3.4Å
396	H	83.8	Confident	72.5	Confident	58 Å²	58	72.7 Å²	72.7	27%	0.269	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	26.5	-175.2	-59.3	-52.2	0	0	0	113.1	Y394 F398 V399 P592 T695	Y394-H396 HydrophobicContact CD1-CB 4.12Å; Y394-H396 HydrophobicContact CE1-CB 3.56Å; Y394-H396 HydrophobicContact CE2-CB 4.22Å; Y394-H396 AromaticContact CE2-CD2 4Å; Y394-H396 PolarHBondContact O-N 3.39Å; H396-F398 VanDerWaalsContact C-N 3.34Å; H396-F398 PolarHBondContact O-N 3.39Å; H396-V399 HydrophobicContact CB-CG2 3.65Å; H396-V399 WeakPolarHBondContact O-CG2 3.43Å; H396-P592 HydrophobicContact CB-CB 4.26Å; H396-T695 WeakPolarHBondContact O-CB 3.29Å; H396-T695 PolarHBondContact O-OG1 3.12Å
397	F	88.9	Confident	69.9	Low	12 Å²	12	74.5 Å²	74.5	5%	0.053	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32	174	-173.8	-108.3	0	0	0	113.7	V602 I615 L693 T695 F696	F397-V602 HydrophobicContact CB-CG2 4.41Å; F397-V602 HydrophobicContact CD1-CG2 3.91Å; F397-V602 HydrophobicContact CD2-CB 3.88Å; F397-V602 HydrophobicContact CD2-CG2 3.5Å; F397-V602 HydrophobicContact CE1-CB 4.5Å; F397-V602 HydrophobicContact CE1-CG2 4.01Å; F397-V602 HydrophobicContact CE2-CB 3.55Å; F397-V602 HydrophobicContact CE2-CG1 4.24Å; F397-V602 HydrophobicContact CE2-CG2 3.63Å; F397-V602 HydrophobicContact CG-CB 4.49Å; F397-V602 HydrophobicContact CG-CG2 3.66Å; F397-V602 HydrophobicContact CZ-CB 3.89Å; F397-V602 HydrophobicContact CZ-CG1 4.1Å; F397-V602 HydrophobicContact CZ-CG2 3.88Å; F397-I615 HydrophobicContact CE1-CD1 4.04Å; F397-I615 HydrophobicContact CZ-CD1 4.04Å; F397-L693 HydrophobicContact CE2-CB 4.2Å; F397-L693 HydrophobicContact CE2-CD2 3.89Å; F397-L693 HydrophobicContact CE2-CG 3.93Å; F397-L693 WeakPolarHBondContact CE2-O 3.44Å; F397-L693 HydrophobicContact CZ-CD2 3.93Å; F397-L693 HydrophobicContact CZ-CG 4.47Å; F397-T695 CarbonylContact O-C 3.5Å; F397-T695 WeakPolarHBondContact O-CA 3.28Å; F397-T695 PolarHBondContact O-OG1 3.29Å; F397-T695 VanDerWaalsContact O-OG1 3.06Å; F397-F696 HydrophobicContact CE1-CB 4.12Å; F397-F696 HydrophobicContact CE2-CB 4.09Å; F397-F696 HydrophobicContact CZ-CB 3.72Å; F397-F696 PolarHBondContact O-N 2.99Å
398	F	86.3	Confident	67.6	Low	35 Å²	35	73.7 Å²	73.7	15%	0.154	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	44	-173.7	-72.4	-51.6	0	0	0	113.4	A378 P380 H396 E400 I615 F696	A378-F398 HydrophobicContact CB-CD1 4.05Å; A378-F398 HydrophobicContact CB-CE1 4.23Å; A378-F398 WeakPolarHBondContact O-CB 3.47Å; A378-F398 VanDerWaalsContact O-CD1 3.28Å; A378-F398 WeakPolarHBondContact O-CD1 3.38Å; P380-F398 HydrophobicContact CG-CD2 3.94Å; H396-F398 VanDerWaalsContact C-N 3.34Å; H396-F398 PolarHBondContact O-N 3.39Å; F398-E400 PolarHBondContact O-N 3.48Å; F398-I615 HydrophobicContact CE1-CD1 4.36Å; F398-I615 HydrophobicContact CE1-CG2 4.1Å; F398-I615 HydrophobicContact CZ-CG2 4.27Å; F398-F696 HydrophobicContact CE1-CD1 4.47Å
399	V	70.1	Confident	65.1	Low	22 Å²	22	76.9 Å²	76.9	13%	0.133	43%	0.43	C	S	.	.			trans	-67.2	128.5	-165.3	-151.5	0	0	0	0	114.2	N376 H396 H401	N376-V399 PolarHBondContact ND2-O 2.92Å; H396-V399 HydrophobicContact CB-CG2 3.65Å; H396-V399 WeakPolarHBondContact O-CG2 3.43Å; V399-H401 PolarHBondContact O-N 2.75Å
400	E	60.5	Low	63	Low	87 Å²	87	77.1 Å²	77.1	41%	0.407	43%	0.425	S	S	.	.			trans	-77.1	105.5	156.8	-65.3	-171.2	167.8	0	0	109.6	C379 R381 F398	C379-E400 HydrophobicContact CB-CG 4.23Å; C379-E400 PolarHBondContact SG-OE1 3.01Å; R381-E400 IonicContact CZ-OE1 3.88Å; R381-E400 VanDerWaalsContact CZ-OE1 3.28Å; R381-E400 IonicContact CZ-OE2 3.35Å; R381-E400 IonicContact NE-OE1 3.83Å; R381-E400 PolarHBondContact NE-OE1 2.7Å; R381-E400 IonicContact NE-OE2 2.74Å; R381-E400 IonicContact NH2-OE1 2.73Å; R381-E400 PolarHBondContact NH2-OE1 3.01Å; R381-E400 IonicContact NH2-OE2 3.73Å; R381-E400 PolarHBondContact NH2-OE2 2.82Å; F398-E400 PolarHBondContact O-N 3.48Å
401	H	53.2	Low	60.6	Low	54 Å²	54	78.7 Å²	78.7	25%	0.25	44%	0.436	C	S	.	.			trans	-105.2	116.7	160.8	-63.7	-64.3	0	0	0	109.2	V399 L403	V399-H401 PolarHBondContact O-N 2.75Å; H401-L403 HydrophobicContact CB-CD1 4.48Å; H401-L403 PolarHBondContact O-N 3.35Å; H401-L403 VanDerWaalsContact O-N 3.17Å
402	S	43.5	Very low	58.6	Low	102 Å²	102	79.2 Å²	79.2	71%	0.713	43%	0.433	S	S	*	.			trans	-71.1	98.6	168.8	54.8	0	0	0	0	109.8	Q589	S402-Q589 PolarHBondContact O-NE2 3.03Å
403	L	40.9	Very low	56.7	Low	93 Å²	93	80.2 Å²	80.2	49%	0.487	43%	0.434	S	S	.	.			trans	-129.3	122.7	170.4	-69.6	167.8	0	0	0	107	H401	H401-L403 HydrophobicContact CB-CD1 4.48Å; H401-L403 PolarHBondContact O-N 3.35Å; H401-L403 VanDerWaalsContact O-N 3.17Å
404	D	33.4	Very low	54.4	Low	159 Å²	159	79.3 Å²	79.3	85%	0.85	43%	0.425	S	S	*	.	S	Bend	trans	57.8	56.2	161.6	-44.3	-22.3	0	0	0	117.2
405	S	34.5	Very low	52.3	Low	72 Å²	72	83.5 Å²	83.5	50%	0.503	45%	0.448	S	S	.	.			trans	-151.1	110.4	165.9	65.8	0	0	0	0	113	E407	S405-E407 PolarHBondContact O-N 2.78Å; S405-E407 VanDerWaalsContact O-N 3.1Å
406	D	33.3	Very low	50.1	Low	181 Å²	181	85.8 Å²	85.8	97%	0.968	45%	0.449	S	S	*	.			trans	-74.4	17.7	167	-71.1	-53.6	0	0	0	112.7	L408	D406-L408 PolarHBondContact O-N 2.93Å
407	E	39.9	Very low	47.7	Very low	80 Å²	80	87 Å²	87	37%	0.374	46%	0.464	S	S	.	.			trans	-90.7	114	-162.6	-67.2	-139.4	110.2	0	0	113.7	R170 S405	R170-E407 IonicContact CZ-OE1 3.7Å; R170-E407 IonicContact CZ-OE2 3.69Å; R170-E407 IonicContact NH1-OE1 2.69Å; R170-E407 PolarHBondContact NH1-OE1 3.02Å; R170-E407 IonicContact NH1-OE2 3.89Å; R170-E407 PolarHBondContact NH1-OE2 3.48Å; R170-E407 VanDerWaalsContact NH2-CD 3.3Å; R170-E407 IonicContact NH2-OE1 3.76Å; R170-E407 PolarHBondContact NH2-OE1 3.49Å; R170-E407 IonicContact NH2-OE2 3.37Å; R170-E407 PolarHBondContact NH2-OE2 3.01Å; S405-E407 PolarHBondContact O-N 2.78Å; S405-E407 VanDerWaalsContact O-N 3.1Å
408	L	44.2	Very low	45.2	Very low	66 Å²	66	89.2 Å²	89.2	35%	0.346	48%	0.477	S	S	.	.			trans	56.4	128.4	162.7	-73.9	159	0	0	0	116.2	R170 D406 V410	R170-L408 HydrophobicContact CB-CD1 3.97Å; D406-L408 PolarHBondContact O-N 2.93Å; L408-V410 HydrophobicContact CB-CG2 4.02Å; L408-V410 PolarHBondContact O-N 2.99Å
409	N	42.8	Very low	42.8	Very low	97 Å²	97	96.1 Å²	96.1	52%	0.519	51%	0.507	S	S	.	.			trans	-77.4	61.5	174.2	-161.6	-17.3	0	0	0	111.7	N411 K412	N409-N411 PolarHBondContact O-N 3.07Å; N409-N411 VanDerWaalsContact O-N 3.12Å; N409-K412 HydrophobicContact CB-CG 4.47Å; N409-K412 WeakPolarHBondContact O-CB 3.34Å; N409-K412 PolarHBondContact O-N 3.38Å
410	V	46.8	Very low	41.1	Very low	36 Å²	36	100.5 Å²	100.5	22%	0.218	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-57.5	-23.7	176	-175.2	0	0	0	0	110.8	L408 K412 L413	L408-V410 HydrophobicContact CB-CG2 4.02Å; L408-V410 PolarHBondContact O-N 2.99Å; V410-K412 PolarHBondContact O-N 3.07Å; V410-K412 VanDerWaalsContact O-N 3.15Å; V410-L413 WeakPolarHBondContact O-CB 3.18Å; V410-L413 PolarHBondContact O-N 3.19Å
411	N	41.5	Very low	39.7	Very low	121 Å²	121	102 Å²	102	65%	0.647	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-64.1	-12.9	172.4	-57.8	-43	0	0	0	114.1	R381 N409	R381-N411 PolarHBondContact NH1-OD1 3.1Å; N409-N411 PolarHBondContact O-N 3.07Å; N409-N411 VanDerWaalsContact O-N 3.12Å
412	K	43	Very low	38.9	Very low	133 Å²	133	108.5 Å²	108.5	58%	0.578	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-77.8	-23.2	166.2	-76.3	-177.2	176.1	179.8	0	113.5	H142 N409 V410 N414	H142-K412 PolarHBondContact O-NZ 3.37Å; H142-K412 VanDerWaalsContact O-NZ 3.15Å; N409-K412 HydrophobicContact CB-CG 4.47Å; N409-K412 WeakPolarHBondContact O-CB 3.34Å; N409-K412 PolarHBondContact O-N 3.38Å; V410-K412 PolarHBondContact O-N 3.07Å; V410-K412 VanDerWaalsContact O-N 3.15Å; K412-N414 VanDerWaalsContact C-N 3.3Å; K412-N414 PolarHBondContact O-N 2.84Å
413	L	45.3	Very low	38.5	Very low	37 Å²	37	110 Å²	110	19%	0.194	57%	0.569	C	S	.	*			trans	-82.3	75.3	-179.4	-71.5	166.8	0	0	0	109.9	F171 C174 L175 V410 I415	F171-L413 HydrophobicContact CD2-CD2 4.49Å; F171-L413 HydrophobicContact CE2-CD2 3.76Å; F171-L413 HydrophobicContact CE2-CG 4.36Å; F171-L413 HydrophobicContact CZ-CD2 3.9Å; C174-L413 HydrophobicContact CB-CD1 3.72Å; L175-L413 HydrophobicContact CD2-CD2 4.19Å; V410-L413 WeakPolarHBondContact O-CB 3.18Å; V410-L413 PolarHBondContact O-N 3.19Å; L413-I415 PolarHBondContact O-N 3.27Å; L413-I415 VanDerWaalsContact O-N 3.09Å
414	N	39.8	Very low	38.2	Very low	84 Å²	84	112 Å²	112	45%	0.449	58%	0.58	S	S	.	*			trans	-67.2	108.3	166.1	-176.8	9.3	0	0	0	109	K412 E416 S417	K412-N414 VanDerWaalsContact C-N 3.3Å; K412-N414 PolarHBondContact O-N 2.84Å; N414-E416 PolarHBondContact O-N 2.79Å; N414-E416 VanDerWaalsContact O-N 3.16Å; N414-E416 PolarHBondContact OD1-N 2.95Å; N414-S417 PolarHBondContact O-N 2.54Å; N414-S417 PolarHBondContact O-OG 3.47Å
415	I	43.3	Very low	38.1	Very low	115 Å²	115	109.5 Å²	109.5	59%	0.59	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-57.8	-31.5	-177.5	-60.6	176.1	0	0	0	111	L413 S417 L418	L413-I415 PolarHBondContact O-N 3.27Å; L413-I415 VanDerWaalsContact O-N 3.09Å; I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.48Å; I415-L418 WeakPolarHBondContact O-CB 3.47Å; I415-L418 PolarHBondContact O-N 3.18Å
416	E	36.2	Very low	37.8	Very low	157 Å²	157	110.8 Å²	110.8	73%	0.734	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-67.4	-26	177.4	-59.1	-175.1	141.6	0	0	113.7	N414 L418	N414-E416 PolarHBondContact O-N 2.79Å; N414-E416 VanDerWaalsContact O-N 3.16Å; N414-E416 PolarHBondContact OD1-N 2.95Å; E416-L418 PolarHBondContact O-N 2.94Å
417	S	33.6	Very low	37.6	Very low	83 Å²	83	107.6 Å²	107.6	58%	0.58	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-78.8	1.7	177.7	67.6	0	0	0	0	114.3	N414 I415	N414-S417 PolarHBondContact O-N 2.54Å; N414-S417 PolarHBondContact O-OG 3.47Å; I415-S417 VanDerWaalsContact C-N 3.29Å; I415-S417 PolarHBondContact O-N 3.48Å
418	L	37.8	Very low	37	Very low	60 Å²	60	107.2 Å²	107.2	31%	0.314	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-94.8	12.5	178.7	-61.2	174.2	0	0	0	113.4	V146 L175 I415 E416 I420	V146-L418 HydrophobicContact CG2-CD2 3.94Å; L175-L418 HydrophobicContact CD2-CD1 3.51Å; L175-L418 HydrophobicContact CD2-CD2 3.68Å; L175-L418 HydrophobicContact CD2-CG 4.26Å; I415-L418 WeakPolarHBondContact O-CB 3.47Å; I415-L418 PolarHBondContact O-N 3.18Å; E416-L418 PolarHBondContact O-N 2.94Å; L418-I420 VanDerWaalsContact C-N 3.28Å; L418-I420 PolarHBondContact O-N 3.04Å
419	K	34.9	Very low	36.1	Very low	180 Å²	180	110 Å²	110	78%	0.783	59%	0.592	S	S	*	*			trans	-68.3	90.8	160.1	-70	-174.2	179.3	-178.6	0	108.6	N421	K419-N421 PolarHBondContact O-N 3.27Å
420	I	35.7	Very low	35.4	Very low	114 Å²	114	114.7 Å²	114.7	59%	0.585	60%	0.604	S	S	*	*			trans	-66.6	110.5	171.8	-61.8	170.7	0	0	0	107.1	L418	L418-I420 VanDerWaalsContact C-N 3.28Å; L418-I420 PolarHBondContact O-N 3.04Å
421	N	30.5	Very low	34.4	Very low	119 Å²	119	117.8 Å²	117.8	64%	0.636	63%	0.627	S	S	*	*			trans	-69.7	138.2	163.1	-62.5	-18.8	0	0	0	107.6	K419 D423	K419-N421 PolarHBondContact O-N 3.27Å; N421-D423 PolarHBondContact O-N 2.86Å; N421-D423 VanDerWaalsContact O-N 3.12Å
422	E	35.6	Very low	33.8	Very low	189 Å²	189	119.9 Å²	119.9	88%	0.883	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-2.6	-172.3	-59.6	-177.3	127.8	0	0	113.4
423	D	35.5	Very low	33	Very low	133 Å²	133	124.1 Å²	124.1	71%	0.711	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-17.7	-169.7	-54.8	-68.5	0	0	0	115.4	N421 S425	N421-D423 PolarHBondContact O-N 2.86Å; N421-D423 VanDerWaalsContact O-N 3.12Å; D423-S425 PolarHBondContact O-N 3.49Å; D423-S425 PolarHBondContact O-OG 2.89Å
424	D	35	Very low	32.2	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	67%	0.665	S	S	*	*			trans	-76.4	41.1	-170.5	-128.1	25	0	0	0	113.2	S426	D424-S426 VanDerWaalsContact C-N 3.34Å; D424-S426 PolarHBondContact O-N 2.88Å
425	S	31.2	Very low	31.7	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	68%	0.682	S	S	*	*			trans	-83.3	-1.6	-173.4	59.3	0	0	0	0	114.8	D423 I427	D423-S425 PolarHBondContact O-N 3.49Å; D423-S425 PolarHBondContact O-OG 2.89Å; S425-I427 PolarHBondContact O-N 3.25Å
426	S	28.8	Very low	31	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	69%	0.685	S	S	*	*			trans	-93.5	36.8	-164.3	52.5	0	0	0	0	115.9	D424	D424-S426 VanDerWaalsContact C-N 3.34Å; D424-S426 PolarHBondContact O-N 2.88Å
427	I	28.8	Very low	31	Very low	115 Å²	115	128.2 Å²	128.2	59%	0.59	68%	0.683	S	S	*	*			trans	-124	77.9	167.8	-53.2	-178.2	0	0	0	110.1	S425	S425-I427 PolarHBondContact O-N 3.25Å
428	A	27.5	Very low	30.8	Very low	72 Å²	72	127.8 Å²	127.8	60%	0.595	69%	0.691	S	S	*	*			trans	-78.3	167.8	165.8	0	0	0	0	0	111.7
429	D	25.7	Very low	30.4	Very low	123 Å²	123	132 Å²	132	66%	0.658	71%	0.714	S	S	*	*			trans	39	109.6	165.9	-57.9	-15.4	0	0	0	120.3
430	Y	27.8	Very low	30.4	Very low	196 Å²	196	130.2 Å²	130.2	77%	0.769	72%	0.718	S	S	*	*			trans	-135.7	72	147.7	-85.8	-71.7	0	0	0	108	K115	K115-Y430 PolarHBondContact NZ-OH 2.87Å
431	S	25.3	Very low	30.1	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	73%	0.728	S	S	*	*			trans	-146.7	55.3	-179.6	60	0	0	0	0	112.2
432	E	29.9	Very low	30.3	Very low	166 Å²	166	134 Å²	134	78%	0.776	74%	0.739	S	S	*	*			trans	-113.8	124.3	168.6	-70.6	-142.7	147.7	0	0	111.9	N434	E432-N434 PolarHBondContact OE2-ND2 3.31Å
433	R	24.4	Very low	30.1	Very low	222 Å²	222	132.2 Å²	132.2	84%	0.838	74%	0.736	S	S	*	*			trans	-98	118.5	150.9	-51.5	174.4	-167.3	155.4	1.9	106
434	N	29.5	Very low	30	Very low	114 Å²	114	131.9 Å²	131.9	61%	0.61	74%	0.744	S	S	*	*			trans	-147.7	108.5	167.4	-82.1	-47.9	0	0	0	106.1	E432	E432-N434 PolarHBondContact OE2-ND2 3.31Å
435	V	28.8	Very low	29.8	Very low	134 Å²	134	132.7 Å²	132.7	81%	0.812	75%	0.748	S	S	*	*				76.4	134.9	80.8	173.3	0	0	0	0	112.1
436	I	28.3	Very low	29.7	Very low	127 Å²	127	132.9 Å²	132.9	65%	0.651	75%	0.749	S	S	*	*			trans	-122.2	172.8	-162.7	-20.5	177.9	0	0	0	110
437	P	36.5	Very low	29.8	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	76%	0.759	S	S	*	*				-109.2	-170.1	-86.2	38.6	-24.9	0	0	0	113.6
438	G	29.2	Very low	30	Very low	73 Å²	73	139.6 Å²	139.6	75%	0.753	77%	0.771	S	S	*	*			trans	-133.8	147.2	155.8	0	0	0	0	0	111
439	D	29.7	Very low	30.2	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	79%	0.786	S	S	*	*			trans	-74.7	149.8	-173.1	-62.9	-65.7	0	0	0	114.7
440	T	34.5	Very low	30.4	Very low	143 Å²	143	144.7 Å²	144.7	88%	0.877	79%	0.789	S	S	*	*				-166.7	145.1	123.8	11.2	0	0	0	0	110.1
441	N	29.8	Very low	30.6	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	79%	0.789	S	S	*	*			trans	-94.1	150.2	177.6	-38.9	-76	0	0	0	110.7
442	D	34.1	Very low	30.7	Very low	163 Å²	163	142.3 Å²	142.3	87%	0.872	79%	0.785	S	S	*	*				-162	153.1	119.9	-117.8	-22.1	0	0	0	111
443	D	31.1	Very low	30.9	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	79%	0.791	S	S	*	*			trans	-91.6	136.9	-175.8	-63.9	-60.9	0	0	0	112.6
444	S	34.8	Very low	31.1	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	79%	0.79	S	S	*	*			trans	-167	150.4	148.9	6.4	0	0	0	0	113.3
445	D	29.6	Very low	31.2	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	81%	0.807	S	S	*	*			trans	-81.6	168.3	-176.6	-76.1	-68.4	0	0	0	115.3
446	S	29.1	Very low	31.1	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	80%	0.804	S	S	*	*			trans	62.8	95.9	153.8	59.4	0	0	0	0	118.7
447	I	32.1	Very low	31.2	Very low	173 Å²	173	147 Å²	147	89%	0.887	81%	0.811	S	S	*	*			trans	-128.8	139.8	144.5	-62.8	-176.5	0	0	0	107.6
448	E	32.6	Very low	30.6	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	82%	0.823	S	S	*	*			trans	-86.2	160	-174.6	-59.8	176.9	125.3	0	0	111.8	D450	E448-D450 PolarHBondContact O-N 3.27Å; E448-D450 VanDerWaalsContact O-N 3.14Å
449	D	31.1	Very low	30.7	Very low	168 Å²	168	155.3 Å²	155.3	90%	0.898	83%	0.825	S	S	*	*			trans	-73.4	100	178.9	-65.3	-63.7	0	0	0	111.2
450	D	30.9	Very low	30.4	Very low	135 Å²	135	156 Å²	156	72%	0.722	82%	0.823	S	S	*	*			trans	-117.8	93.8	169.7	-156.3	-0.7	0	0	0	110.7	E448 T452	E448-D450 PolarHBondContact O-N 3.27Å; E448-D450 VanDerWaalsContact O-N 3.14Å; D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 3.42Å
451	D	31.2	Very low	30.1	Very low	145 Å²	145	155.4 Å²	155.4	78%	0.775	82%	0.824	S	S	*	*			trans	-80.8	66.9	-172.8	-124.9	-30.4	0	0	0	110.3	K113	K113-D451 IonicContact NZ-OD1 3.97Å
452	T	28.4	Very low	29.8	Very low	102 Å²	102	159 Å²	159	63%	0.626	83%	0.826	S	S	*	*			trans	-128.7	89.9	176.3	55.7	0	0	0	0	113.8	D450	D450-T452 VanDerWaalsContact C-N 3.3Å; D450-T452 PolarHBondContact O-N 3.42Å
453	D	33.4	Very low	29.6	Very low	167 Å²	167	156.7 Å²	156.7	89%	0.893	82%	0.822	S	S	*	*			trans	-135.7	124.5	163.8	-88.5	-50.6	0	0	0	110.8
454	E	28.9	Very low	29.3	Very low	178 Å²	178	157.5 Å²	157.5	83%	0.832	82%	0.821	S	S	*	*			trans	-101.3	104.2	172.8	-64.7	-172.3	130.1	0	0	109.7	Q456	E454-Q456 PolarHBondContact O-N 3.02Å
455	E	31.7	Very low	28.9	Very low	203 Å²	203	161.2 Å²	161.2	95%	0.949	82%	0.817	S	S	*	*			trans	-85.1	84.6	167.1	-78.3	-171.4	137.2	0	0	110.8
456	Q	26.3	Very low	28.8	Very low	163 Å²	163	162.9 Å²	162.9	76%	0.762	82%	0.817	S	S	*	*			trans	-93.5	126.2	144.2	-65.3	178.6	29.6	0	0	107.5	E454	E454-Q456 PolarHBondContact O-N 3.02Å
457	D	30.6	Very low	28.5	Very low	149 Å²	149	166.2 Å²	166.2	80%	0.797	82%	0.821	S	S	*	*			trans	-156.2	115.4	153.5	-117.3	-26.3	0	0	0	111.6
458	E	24.4	Very low	28.4	Very low	198 Å²	198	165.7 Å²	165.7	93%	0.925	82%	0.815	S	S	*	*			trans	-93.1	108.5	168.3	-70.9	-174	122.5	0	0	108.8
459	I	29.7	Very low	28.2	Very low	154 Å²	154	165 Å²	165	79%	0.79	81%	0.812	S	S	*	*			trans	-111.2	111.2	172.2	-59.9	-174	0	0	0	112
460	H	24.6	Very low	28.1	Very low	163 Å²	163	165.1 Å²	165.1	76%	0.755	81%	0.812	S	S	*	*			trans	-59.7	134.3	178.7	-138.8	-21.8	0	0	0	113.1
461	C	27.9	Very low	27.8	Very low	132 Å²	132	165.8 Å²	165.8	89%	0.892	82%	0.816	S	S	*	*			trans	-151.2	153.9	149.6	-107.6	0	0	0	0	113.6
462	R	23.4	Very low	27.9	Very low	223 Å²	223	166.9 Å²	166.9	84%	0.842	82%	0.822	S	S	*	*			trans	-133.8	126.3	-175.7	-96	177.2	157.1	178.2	-5.4	110.8
463	S	29.3	Very low	27.7	Very low	114 Å²	114	170.6 Å²	170.6	80%	0.797	83%	0.832	S	S	*	*			trans	-179.6	121.9	142.8	22.4	0	0	0	0	108.3
464	H	25	Very low	27.6	Very low	171 Å²	171	171 Å²	171	79%	0.792	83%	0.832	S	S	*	*				52	97.9	76.3	-86	-79.9	0	0	0	114.5
465	Y	26	Very low	27.5	Very low	202 Å²	202	171.2 Å²	171.2	79%	0.792	83%	0.833	S	S	*	*				167	111.2	113.1	-101.6	-78.6	0	0	0	111.7
466	F	27.6	Very low	27.4	Very low	189 Å²	189	165.7 Å²	165.7	83%	0.829	82%	0.822	S	S	*	*				-176.6	146.9	107.1	-113.6	-84.4	0	0	0	110.9
467	Q	23.9	Very low	27.7	Very low	179 Å²	179	164.1 Å²	164.1	84%	0.836	83%	0.826	S	S	*	*			trans	-152	103.8	-174.7	-173.8	179.8	20.5	0	0	111.4
468	Q	29.9	Very low	27.5	Very low	162 Å²	162	163 Å²	163	76%	0.757	83%	0.825	S	S	*	*			trans	-155.1	106.4	164.1	-107.2	161	-12.3	0	0	106.8
469	Q	27.3	Very low	27.9	Very low	168 Å²	168	161.4 Å²	161.4	79%	0.785	82%	0.819	S	S	*	*				67.5	101.7	89	-73.5	-175.1	-5.5	0	0	113.5
470	N	29.3	Very low	27.9	Very low	170 Å²	170	159.7 Å²	159.7	91%	0.909	81%	0.812	S	S	*	*				-145.3	137.8	117.3	-96.3	-28.2	0	0	0	108.9
471	N	25.5	Very low	28.3	Very low	149 Å²	149	158.8 Å²	158.8	80%	0.797	81%	0.81	S	S	*	*			trans	-85.5	150.8	166.8	-65.3	-34.5	0	0	0	108.4
472	D	32.1	Very low	28.4	Very low	168 Å²	168	160 Å²	160	90%	0.898	80%	0.804	S	S	*	*				-156.7	156.2	127.1	-104.6	-32.4	0	0	0	110.9
473	Q	25.5	Very low	28.9	Very low	181 Å²	181	153.3 Å²	153.3	85%	0.846	79%	0.792	S	S	*	*			trans	-103.7	131	-167	-57.2	173.1	-43.7	0	0	112.4
474	I	30	Very low	29.1	Very low	174 Å²	174	153.7 Å²	153.7	89%	0.892	79%	0.785	S	S	*	*			trans	-135.7	147.1	148.6	-62.7	-172.5	0	0	0	108.5
475	Q	27.8	Very low	29.4	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	78%	0.784	S	S	*	*			trans	-93.2	154.4	-165.4	-61.8	157.4	-64.7	0	0	113.4
476	A	29.4	Very low	29.7	Very low	87 Å²	87	148.4 Å²	148.4	72%	0.719	79%	0.785	S	S	*	*			trans	-78.8	177.6	160.3	0	0	0	0	0	111.1
477	P	33.3	Very low	29.7	Very low	129 Å²	129	142.5 Å²	142.5	84%	0.838	78%	0.777	S	S	*	*				-131.5	125.9	127.8	35.1	-26.2	0	0	0	113.5
478	T	26.1	Very low	30.1	Very low	127 Å²	127	142.8 Å²	142.8	78%	0.779	78%	0.779	S	S	*	*			trans	-103.9	142.5	155.2	-48.1	0	0	0	0	107.2
479	M	31.8	Very low	30	Very low	163 Å²	163	140.9 Å²	140.9	80%	0.803	77%	0.773	S	S	*	*			trans	-109	119.4	162.1	-81.8	-178.1	67.9	0	0	107.1
480	D	31.1	Very low	30	Very low	119 Å²	119	141 Å²	141	64%	0.636	77%	0.771	S	S	*	*				74.3	132.9	78.2	-73.4	-16.1	0	0	0	111.8
481	M	31.1	Very low	30	Very low	143 Å²	143	137.4 Å²	137.4	70%	0.704	76%	0.759	S	S	*	*			cis	-159.9	178	-2.7	-100.5	-62.9	173.2	0	0	106.4
482	M	31.1	Very low	30.3	Very low	158 Å²	158	140.7 Å²	140.7	78%	0.778	76%	0.76	S	S	*	*			cis	-164.4	167.8	7.9	-113.6	152.8	-165.7	0	0	105.4
483	S	32.7	Very low	30.5	Very low	82 Å²	82	140 Å²	140	57%	0.573	75%	0.752	S	S	*	*			cis	-170.3	177.9	-30.3	59.1	0	0	0	0	108.7
484	D	34.4	Very low	30.8	Very low	123 Å²	123	139 Å²	139	66%	0.658	75%	0.746	S	S	*	*			trans	63.2	112.1	155.7	-57.3	-51.8	0	0	0	121.2
485	N	31.5	Very low	31	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	75%	0.745	S	S	*	*				76.6	134.5	67.9	-72.4	-46.5	0	0	0	113.9
486	S	31.4	Very low	31.2	Very low	118 Å²	118	136.7 Å²	136.7	83%	0.825	74%	0.737	S	S	*	*			cis	-169.1	175.4	-11.2	60.8	0	0	0	0	107.7
487	G	28.7	Very low	31.3	Very low	64 Å²	64	139.7 Å²	139.7	66%	0.66	75%	0.746	S	S	*	*			cis	165.7	164.3	-1.1	0	0	0	0	0	111.1
488	H	32	Very low	31.2	Very low	186 Å²	186	140.9 Å²	140.9	86%	0.861	74%	0.74	S	S	*	*			trans	66	154.5	175.3	-64.8	-44.2	0	0	0	117.9
489	L	28	Very low	31.4	Very low	122 Å²	122	142.2 Å²	142.2	64%	0.639	74%	0.742	S	S	*	*			cis	-161.9	164	-11.9	-112.8	168.8	0	0	0	113.6
490	F	27.6	Very low	31.5	Very low	171 Å²	171	140.4 Å²	140.4	75%	0.75	74%	0.742	S	S	*	*			trans	67.8	101.2	154	-72.5	-52.7	0	0	0	125.4
491	S	29.9	Very low	31.3	Very low	93 Å²	93	146.6 Å²	146.6	65%	0.65	76%	0.757	S	S	*	*				69.4	129.1	110.5	-75.3	0	0	0	0	127.3
492	R	30.2	Very low	31.4	Very low	218 Å²	218	145.2 Å²	145.2	82%	0.823	76%	0.761	S	S	*	*			trans	66.5	144.9	145.4	-62.4	178.3	171.9	178.4	-2.9	118.2
493	H	36.2	Very low	31.4	Very low	155 Å²	155	142.5 Å²	142.5	72%	0.718	76%	0.758	S	S	*	*			cis	-135.7	144.3	21.8	-87.1	-92.2	0	0	0	111.2
494	H	31.8	Very low	31.3	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.736	77%	0.773	S	S	*	*				51.9	118.4	93.1	-92.5	19.1	0	0	0	117.2
495	D	34.5	Very low	31.2	Very low	162 Å²	162	146.3 Å²	146.3	87%	0.866	78%	0.777	S	S	*	*				-165.9	173.3	114.4	-114.8	-32.9	0	0	0	114.7
496	H	32.2	Very low	31.2	Very low	147 Å²	147	148.8 Å²	148.8	68%	0.681	78%	0.784	S	S	*	*			trans	-104.6	155.6	-164.5	-71.4	-102.1	0	0	0	117.5
497	V	32.2	Very low	31	Very low	151 Å²	151	148.6 Å²	148.6	92%	0.915	78%	0.783	S	S	*	*			trans	-143.7	153.3	143.5	-175.4	0	0	0	0	109.8
498	Q	30.9	Very low	31	Very low	154 Å²	154	151.8 Å²	151.8	72%	0.72	79%	0.789	S	S	*	*			trans	-129.5	-178.4	-173.7	-79.2	-170.3	-26.9	0	0	114.2
499	L	30.3	Very low	30.7	Very low	154 Å²	154	149.3 Å²	149.3	81%	0.806	79%	0.787	S	S	*	*			trans	98.3	151.5	154	-54.4	176.4	0	0	0	117.9
500	P	34.3	Very low	30.6	Very low	126 Å²	126	154.1 Å²	154.1	82%	0.818	80%	0.796	S	S	*	*			cis	-134.1	-171.7	-38.3	37.3	-20.2	0	0	0	113.9
501	R	26	Very low	30.5	Very low	248 Å²	248	149.3 Å²	149.3	94%	0.936	80%	0.795	S	S	*	*			trans	-106.6	149.9	-177.8	-76.2	178.2	167.8	178.3	-4.7	114.5
502	S	34.4	Very low	30.4	Very low	115 Å²	115	150.4 Å²	150.4	80%	0.804	79%	0.793	S	S	*	*			trans	-171.6	164.4	148.5	55.3	0	0	0	0	110.3
503	S	30.3	Very low	30.2	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	79%	0.793	S	S	*	*			cis	-168.3	144.8	-43.4	53.1	0	0	0	0	111.1
504	L	31.5	Very low	29.8	Very low	172 Å²	172	147.7 Å²	147.7	90%	0.901	79%	0.794	S	S	*	*			trans	75.3	149.7	166.2	-63.9	167.9	0	0	0	119.9
505	P	31	Very low	29.7	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	80%	0.798	S	S	*	*			trans	-115.1	170.7	-178.5	43	-33.3	0	0	0	114.7
506	E	31.4	Very low	29.3	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	79%	0.792	S	S	*	*			trans	-129.7	156	160.4	-81.3	-167.5	141.1	0	0	111.5
507	S	26.9	Very low	29	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	80%	0.799	S	S	*	*			trans	-102	143.2	-174.7	54	0	0	0	0	112.5
508	V	28.8	Very low	28.7	Very low	131 Å²	131	144.8 Å²	144.8	79%	0.794	79%	0.789	S	S	*	*			trans	-125.8	121	172.1	-179.1	0	0	0	0	109.3
509	V	27.2	Very low	28.4	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	79%	0.793	S	S	*	*			trans	-82.3	124.9	-179.3	177	0	0	0	0	110	G511	V509-G511 PolarHBondContact O-N 3.3Å
510	W	24.7	Very low	28.3	Very low	222 Å²	222	142.7 Å²	142.7	84%	0.841	79%	0.791	S	S	*	*			trans	-80.1	96	172.6	-84.4	86.8	0	0	0	111.3	I512	W510-I512 HydrophobicContact CE3-CD1 3.86Å; W510-I512 HydrophobicContact CE3-CG1 3.76Å; W510-I512 HydrophobicContact CZ3-CD1 4.29Å; W510-I512 HydrophobicContact CZ3-CG1 4.37Å
511	G	25.2	Very low	27.8	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	80%	0.801	S	S	*	*			trans	-94.4	90.7	166.2	0	0	0	0	0	111.2	V509 N513	V509-G511 PolarHBondContact O-N 3.3Å; G511-N513 PolarHBondContact O-N 3.42Å
512	I	29.3	Very low	27.8	Very low	116 Å²	116	142 Å²	142	60%	0.595	79%	0.787	S	S	*	*			trans	-86.7	95.6	177.7	-58.2	-179.1	0	0	0	109.9	W510 H514	W510-I512 HydrophobicContact CE3-CD1 3.86Å; W510-I512 HydrophobicContact CE3-CG1 3.76Å; W510-I512 HydrophobicContact CZ3-CD1 4.29Å; W510-I512 HydrophobicContact CZ3-CG1 4.37Å; I512-H514 HydrophobicContact CG2-CB 4.43Å
513	N	24.7	Very low	27.4	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	78%	0.781	S	S	*	*			trans	-103.7	84.9	162.8	-99.2	-3.3	0	0	0	109.2	G511	G511-N513 PolarHBondContact O-N 3.42Å
514	H	28.9	Very low	27.2	Very low	160 Å²	160	144.4 Å²	144.4	74%	0.741	79%	0.79	S	S	*	*			trans	-106.3	81.9	169	-92.8	-72.6	0	0	0	110.7	I512 L516	I512-H514 HydrophobicContact CG2-CB 4.43Å; H514-L516 PolarHBondContact O-N 3.28Å; H514-L516 VanDerWaalsContact O-N 3.1Å
515	T	28.2	Very low	27	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	77%	0.772	S	S	*	*			trans	-72	92.8	160.4	46.3	0	0	0	0	109	N517	T515-N517 PolarHBondContact O-N 3.5Å
516	L	26.9	Very low	26.7	Very low	142 Å²	142	147.4 Å²	147.4	74%	0.743	78%	0.781	S	S	*	*			trans	-67.8	93.3	172.3	-81.5	166.1	0	0	0	110.4	H514 N518	H514-L516 PolarHBondContact O-N 3.28Å; H514-L516 VanDerWaalsContact O-N 3.1Å; L516-N518 PolarHBondContact O-N 2.81Å
517	N	26.8	Very low	26.5	Very low	152 Å²	152	143 Å²	143	81%	0.813	77%	0.771	S	S	*	*			trans	-90.6	88.3	169.9	-162	10.3	0	0	0	109.9	T515 N519	T515-N517 PolarHBondContact O-N 3.5Å; N517-N519 PolarHBondContact O-N 3.39Å
518	N	24.8	Very low	26.4	Very low	132 Å²	132	144.4 Å²	144.4	71%	0.706	77%	0.77	S	S	*	*			trans	-69.6	95	176.9	-79.1	-23.3	0	0	0	110.7	L516	L516-N518 PolarHBondContact O-N 2.81Å
519	N	25.3	Very low	26.3	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	77%	0.773	S	S	*	*			trans	-173.3	97.9	153.7	-97.8	-30	0	0	0	113.3	N517	N517-N519 PolarHBondContact O-N 3.39Å
520	S	27.5	Very low	26.3	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	77%	0.774	S	S	*	*			trans	174	132.6	139.8	37.5	0	0	0	0	111.2
521	W	23.8	Very low	26.4	Very low	267 Å²	267	144.8 Å²	144.8	100%	1.011	77%	0.774	S	S	*	*			trans	-105.8	105	168.6	-88.8	36.3	0	0	0	108.9
522	S	26.5	Very low	26.6	Very low	94 Å²	94	147.1 Å²	147.1	66%	0.657	77%	0.774	S	S	*	*			trans	-155.6	99.4	174	58.4	0	0	0	0	113.8	L524	S522-L524 PolarHBondContact O-N 2.81Å
523	S	26.2	Very low	26.4	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	78%	0.784	S	S	*	*			trans	29.9	74.7	145.6	-169.8	0	0	0	0	117.5	H525	S523-H525 PolarHBondContact O-N 2.71Å
524	L	26.5	Very low	26.4	Very low	168 Å²	168	148.9 Å²	148.9	88%	0.88	78%	0.776	S	S	*	*			trans	-74.2	102.7	161.2	-89.4	167.2	0	0	0	109.3	S522 Y526	S522-L524 PolarHBondContact O-N 2.81Å; L524-Y526 PolarHBondContact O-N 3.36Å
525	H	26.1	Very low	26.4	Very low	117 Å²	117	146.9 Å²	146.9	54%	0.542	78%	0.78	S	S	.	*	P	Polyproline II helix	trans	-63.4	126.2	173	-72.9	-93.7	0	0	0	110.5	S523	S523-H525 PolarHBondContact O-N 2.71Å
526	Y	25.4	Very low	26.3	Very low	231 Å²	231	147.7 Å²	147.7	91%	0.906	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-96.1	120.3	157.9	-100.7	-84.5	0	0	0	109.2	L524	L524-Y526 PolarHBondContact O-N 3.36Å
527	S	26.1	Very low	26.3	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-84.8	138.2	177.4	36	0	0	0	0	112.2
528	D	25.8	Very low	26.4	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	77%	0.765	S	S	*	*			trans	30.7	105.1	157.3	-59	-43	0	0	0	119.4
529	N	26.4	Very low	26.6	Very low	157 Å²	157	142.6 Å²	142.6	84%	0.84	76%	0.759	S	S	*	*			trans	-159.3	47.5	138.8	-104.8	-61	0	0	0	112.7	Q531	N529-Q531 VanDerWaalsContact C-N 3.33Å; N529-Q531 PolarHBondContact O-N 2.87Å
530	N	28	Very low	27	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	76%	0.764	S	S	*	*			trans	-79.8	74.2	173.9	-92.9	-24	0	0	0	111.8	V532	N530-V532 PolarHBondContact O-N 3.12Å
531	Q	26	Very low	27.1	Very low	178 Å²	178	146.5 Å²	146.5	83%	0.832	76%	0.763	S	S	*	*			trans	-79.6	87.2	159.6	-76.7	-164.2	-6.9	0	0	109.9	N529	N529-Q531 VanDerWaalsContact C-N 3.33Å; N529-Q531 PolarHBondContact O-N 2.87Å
532	V	28.7	Very low	27.4	Very low	121 Å²	121	141.5 Å²	141.5	73%	0.733	75%	0.751	S	S	*	*			trans	-91.1	126.5	166.5	179.6	0	0	0	0	108.3	N530 S534	N530-V532 PolarHBondContact O-N 3.12Å; V532-S534 PolarHBondContact O-N 3.5Å
533	W	25	Very low	27.7	Very low	214 Å²	214	143.7 Å²	143.7	81%	0.811	75%	0.75	S	S	*	*			trans	-66.5	121.4	177.6	-74.4	-35.8	0	0	0	111.7	S535	W533-S535 PolarHBondContact O-N 3.1Å
534	S	25.6	Very low	28	Very low	93 Å²	93	146.4 Å²	146.4	65%	0.65	76%	0.757	S	S	*	*			trans	-82.5	103.6	170.4	54.8	0	0	0	0	110.8	V532 N536	V532-S534 PolarHBondContact O-N 3.5Å; S534-N536 VanDerWaalsContact C-N 3.3Å; S534-N536 PolarHBondContact O-N 3.36Å
535	S	29	Very low	28.2	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	75%	0.748	S	S	*	*			trans	-76.8	80.9	164.1	37.3	0	0	0	0	110.1	W533 A537	W533-S535 PolarHBondContact O-N 3.1Å; S535-A537 PolarHBondContact O-N 3.15Å
536	N	25.7	Very low	28.4	Very low	149 Å²	149	141.2 Å²	141.2	80%	0.797	76%	0.759	S	S	*	*			trans	-64.5	129.9	174.6	-72.6	-2.8	0	0	0	110.8	S534	S534-N536 VanDerWaalsContact C-N 3.3Å; S534-N536 PolarHBondContact O-N 3.36Å
537	A	27.6	Very low	28.6	Very low	75 Å²	75	137.7 Å²	137.7	62%	0.62	76%	0.755	S	S	*	*			trans	-146.1	141.1	169.2	0	0	0	0	0	109	S535	S535-A537 PolarHBondContact O-N 3.15Å
538	Q	28.3	Very low	28.9	Very low	135 Å²	135	139.4 Å²	139.4	63%	0.631	76%	0.761	S	S	*	*			trans	61.3	144.5	-173.1	-70.3	98.8	-59.9	0	0	116.4	M907	Q538-M907 HydrophobicContact CG-CE 3.68Å; Q538-M907 HydrophobicContact CG-SD 3.78Å; Q538-M907 PolarHBondContact NE2-SD 3.49Å
539	D	29.5	Very low	29.2	Very low	109 Å²	109	138.2 Å²	138.2	58%	0.583	76%	0.759	S	S	*	*			cis	-156.5	145.9	-23.8	-118.1	-28.4	0	0	0	109.3
540	H	32.3	Very low	29.5	Very low	200 Å²	200	136.4 Å²	136.4	93%	0.926	76%	0.756	S	S	*	*			trans	-154.3	110.4	162.5	-107.1	-62.5	0	0	0	111.8
541	I	30.1	Very low	29.7	Very low	145 Å²	145	138.8 Å²	138.8	74%	0.744	76%	0.759	S	S	*	*			trans	-87.3	130.9	179.5	-59.9	163	0	0	0	109.5
542	Q	31.2	Very low	29.9	Very low	162 Å²	162	138.2 Å²	138.2	76%	0.757	76%	0.762	S	S	*	*				-176.3	137	123.7	-101.7	179.6	19.9	0	0	115.9
543	H	33.1	Very low	30.1	Very low	141 Å²	141	136 Å²	136	65%	0.653	76%	0.764	S	S	*	*			trans	65.4	115.9	149.9	-73.5	-59.2	0	0	0	123.7
544	N	32.3	Very low	30.3	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	76%	0.763	S	S	*	*			trans	66.4	128.4	136.7	-49.2	-7	0	0	0	118.6
545	G	29.6	Very low	30.7	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	76%	0.763	S	S	*	*			cis	167.4	174.9	-4	0	0	0	0	0	113.3
546	S	31.5	Very low	30.9	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	76%	0.761	S	S	*	*			trans	59.8	112.4	169.9	53.6	0	0	0	0	120.3
547	N	28.7	Very low	31.2	Very low	156 Å²	156	133 Å²	133	83%	0.834	76%	0.761	S	S	*	*				50	139.1	129.1	-49.7	-10.8	0	0	0	119.5
548	V	32.8	Very low	31.2	Very low	140 Å²	140	136.2 Å²	136.2	85%	0.848	77%	0.768	S	S	*	*				-148.9	166.8	54.9	163.7	0	0	0	0	112.3
549	T	32.1	Very low	31.3	Very low	119 Å²	119	136.6 Å²	136.6	73%	0.73	78%	0.78	S	S	*	*			trans	-76.7	160.7	-168.3	47.5	0	0	0	0	117.6
550	P	31.6	Very low	31.4	Very low	120 Å²	120	137.1 Å²	137.1	78%	0.779	79%	0.789	S	S	*	*			trans	-81.8	179.1	174.1	36.9	-38.5	0	0	0	113.7
551	F	32.1	Very low	31.4	Very low	208 Å²	208	135.8 Å²	135.8	91%	0.912	79%	0.787	S	S	*	*			trans	-148.3	140	172.2	-125.8	-87.7	0	0	0	112.9
552	D	30.3	Very low	31.3	Very low	166 Å²	166	132.9 Å²	132.9	89%	0.888	78%	0.784	S	S	*	*			trans	-84.5	162.6	177.3	-76.8	-62.9	0	0	0	113.8
553	G	32.9	Very low	31.3	Very low	76 Å²	76	131.5 Å²	131.5	78%	0.784	79%	0.789	S	S	*	*			trans	-162.5	83	177.4	0	0	0	0	0	114.5
554	S	31	Very low	31	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	79%	0.793	S	S	*	*			trans	-50.6	157.2	171.9	59.8	0	0	0	0	113.5
555	S	32.9	Very low	30.7	Very low	91 Å²	91	130 Å²	130	64%	0.636	79%	0.793	S	S	*	*				172.8	152.1	74.2	58.1	0	0	0	0	115.7
556	I	32.5	Very low	30.6	Very low	156 Å²	156	131.9 Å²	131.9	80%	0.8	79%	0.791	S	S	*	*			trans	69.1	137.7	139.6	-71.1	166.5	0	0	0	117.3
557	L	32.5	Very low	30.3	Very low	152 Å²	152	133.8 Å²	133.8	80%	0.796	79%	0.793	S	S	*	*			cis	-147.6	174.2	11.7	-138	162	0	0	0	111.4
558	N	27.7	Very low	30.2	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	79%	0.791	S	S	*	*			trans	-85.3	150.6	-174.5	-52.6	-46.3	0	0	0	115.6
559	T	31	Very low	29.9	Very low	144 Å²	144	134.4 Å²	134.4	88%	0.883	79%	0.787	S	S	*	*			trans	-160.6	136.2	134.3	17.4	0	0	0	0	111.4
560	P	32.2	Very low	29.8	Very low	119 Å²	119	135 Å²	135	77%	0.773	79%	0.785	S	S	*	*			trans	-108	137	176.7	36.9	-28.9	0	0	0	113.4
561	I	31.9	Very low	29.6	Very low	172 Å²	172	136.1 Å²	136.1	88%	0.882	79%	0.785	S	S	*	*			trans	-135.9	143.8	168.9	-62.5	-174.6	0	0	0	111
562	A	26.6	Very low	29.4	Very low	84 Å²	84	131.8 Å²	131.8	69%	0.694	77%	0.771	S	S	*	*			trans	-73.8	170	-171.7	0	0	0	0	0	114.7
563	P	32.9	Very low	29.3	Very low	133 Å²	133	132 Å²	132	86%	0.864	77%	0.773	S	S	*	*			trans	-82	157.9	-174.3	34.2	-36.9	0	0	0	113.7
564	S	26.2	Very low	28.9	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	77%	0.77	S	S	*	*			trans	-148.2	126.8	173.8	57.4	0	0	0	0	112.2
565	I	26.3	Very low	28.8	Very low	161 Å²	161	136.9 Å²	136.9	83%	0.826	77%	0.77	S	S	*	*			trans	-76.7	135.3	169.8	-62.4	164.8	0	0	0	108.6
566	T	27	Very low	28.5	Very low	104 Å²	104	136 Å²	136	64%	0.638	77%	0.768	S	S	*	*			trans	-136.7	108.9	169.6	46.7	0	0	0	0	111.4
567	N	24.5	Very low	28.1	Very low	151 Å²	151	140 Å²	140	81%	0.807	77%	0.774	S	S	*	*			trans	-70	133.3	167.1	-74.3	-28.6	0	0	0	109.7
568	F	27.5	Very low	27.9	Very low	184 Å²	184	143.6 Å²	143.6	81%	0.807	78%	0.777	S	S	*	*			trans	-124.4	88.1	164.5	-91.2	-81.1	0	0	0	109.9
569	V	26.7	Very low	27.9	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	78%	0.779	S	S	*	*			trans	-64.3	131.3	158.6	177.2	0	0	0	0	107.3
570	N	29.8	Very low	27.6	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	78%	0.775	S	S	*	*			trans	-140.8	79	176.6	-162.2	-2.6	0	0	0	109.7	N572	N570-N572 PolarHBondContact O-N 3.31Å; N570-N572 VanDerWaalsContact O-N 3.14Å
571	D	27.8	Very low	27.4	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	78%	0.775	S	S	*	*			trans	-56.4	115	174.5	-89.8	-52.2	0	0	0	110.7
572	N	27.7	Very low	27.2	Very low	116 Å²	116	142.1 Å²	142.1	62%	0.62	77%	0.766	S	S	*	*			trans	-144.2	94.9	167.1	-103.5	-82.1	0	0	0	109.8	N570 K574	N570-N572 PolarHBondContact O-N 3.31Å; N570-N572 VanDerWaalsContact O-N 3.14Å; N572-K574 VanDerWaalsContact C-N 3.31Å; N572-K574 PolarHBondContact O-N 3.22Å
573	N	28.2	Very low	27.3	Very low	171 Å²	171	144 Å²	144	91%	0.914	77%	0.774	S	S	*	*			trans	-59.6	88.9	170.3	-95	-37.8	0	0	0	111.1
574	K	24.9	Very low	27.2	Very low	169 Å²	169	147.9 Å²	147.9	74%	0.735	77%	0.771	S	S	*	*			trans	-138.8	124	159.8	-67.7	-175.5	-177.8	170.5	0	107.7	N572 A576	N572-K574 VanDerWaalsContact C-N 3.31Å; N572-K574 PolarHBondContact O-N 3.22Å; K574-A576 PolarHBondContact O-N 3.01Å
575	P	27.8	Very low	27.1	Very low	122 Å²	122	153.4 Å²	153.4	79%	0.792	78%	0.776	S	S	*	*			trans	-58.6	140.4	168.9	27.1	-33.7	0	0	0	108.2	R577	P575-R577 PolarHBondContact O-N 3.05Å
576	A	27.3	Very low	27.1	Very low	72 Å²	72	152 Å²	152	60%	0.595	78%	0.777	S	S	*	*			trans	-53.6	116.9	173.8	0	0	0	0	0	108.2	K574 W578	K574-A576 PolarHBondContact O-N 3.01Å; A576-W578 PolarHBondContact O-N 3.08Å
577	R	24.4	Very low	27.2	Very low	242 Å²	242	152.5 Å²	152.5	91%	0.913	78%	0.78	S	S	*	*			trans	-77	69.2	-174.1	-167.8	-176.3	-174.9	-171.2	2.2	109.4	P575 I579	P575-R577 PolarHBondContact O-N 3.05Å; R577-I579 PolarHBondContact O-N 3.43Å; R577-I579 VanDerWaalsContact O-N 3.08Å
578	W	28	Very low	27.5	Very low	226 Å²	226	149 Å²	149	86%	0.856	77%	0.767	S	S	*	*			trans	-52.8	115.9	176.5	-72.3	100.6	0	0	0	108.9	A576 Q580	A576-W578 PolarHBondContact O-N 3.08Å; W578-Q580 PolarHBondContact O-N 2.9Å
579	I	26.8	Very low	28.2	Very low	156 Å²	156	147 Å²	147	80%	0.8	76%	0.76	S	S	*	*			trans	-58.8	127.4	174.6	-62.3	170.1	0	0	0	106.5	R577	R577-I579 PolarHBondContact O-N 3.43Å; R577-I579 VanDerWaalsContact O-N 3.08Å
580	Q	24.6	Very low	29.3	Very low	171 Å²	171	148.1 Å²	148.1	80%	0.799	76%	0.757	S	S	*	*			trans	-51.7	141.2	-179.5	-71.4	179.8	-42.7	0	0	110.1	W578 S582	W578-Q580 PolarHBondContact O-N 2.9Å; Q580-S582 PolarHBondContact O-N 3.35Å
581	P	27.9	Very low	31	Very low	119 Å²	119	148.6 Å²	148.6	77%	0.773	75%	0.753	S	S	*	*			trans	-71	82.2	179	29.9	-35	0	0	0	110.3	S583	P581-S583 PolarHBondContact O-N 2.9Å
582	S	27.8	Very low	33.2	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	73%	0.726	S	S	*	*			trans	-64.2	104.4	171.3	43.5	0	0	0	0	109.7	Q580 R584	Q580-S582 PolarHBondContact O-N 3.35Å; S582-R584 PolarHBondContact O-N 2.73Å
583	S	28.3	Very low	36	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	72%	0.721	S	S	*	*			trans	27.8	63.1	164.4	-53.8	0	0	0	0	115.4	P581 R585	P581-S583 PolarHBondContact O-N 2.9Å; S583-R585 PolarHBondContact O-N 2.82Å
584	R	30.9	Very low	38.8	Very low	216 Å²	216	136.5 Å²	136.5	82%	0.815	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-63.3	122	175.5	-77.2	-166.6	176.1	-160.9	0.3	109.5	S582	S582-R584 PolarHBondContact O-N 2.73Å
585	R	25.4	Very low	41.8	Very low	220 Å²	220	128.9 Å²	128.9	83%	0.83	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-55.3	157.7	164.7	-64.5	179.5	-179.7	-177.4	-0.7	109.8	S583 V587	S583-R585 PolarHBondContact O-N 2.82Å; R585-V587 PolarHBondContact O-N 2.89Å; R585-V587 VanDerWaalsContact O-N 3.14Å
586	P	25.4	Very low	44.8	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-51.5	123.9	172.5	-23.3	32.8	0	0	0	110.1	S588	P586-S588 PolarHBondContact O-N 2.92Å
587	V	30	Very low	47.8	Very low	114 Å²	114	129.3 Å²	129.3	69%	0.691	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-74.3	117.1	173.2	178.8	0	0	0	0	106.5	R585 Q589	R585-V587 PolarHBondContact O-N 2.89Å; R585-V587 VanDerWaalsContact O-N 3.14Å; V587-Q589 PolarHBondContact O-N 3.21Å
588	S	30.8	Very low	50.9	Low	78 Å²	78	118.8 Å²	118.8	55%	0.545	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-58.7	131.4	171.8	44	0	0	0	0	109.1	P586 H590	P586-S588 PolarHBondContact O-N 2.92Å; S588-H590 PolarHBondContact O-N 3.34Å; S588-H590 PolarHBondContact OG-CD2 3.11Å; S588-H590 PolarHBondContact OG-NE2 2.83Å
589	Q	41.2	Very low	53.8	Low	141 Å²	141	115 Å²	115	66%	0.659	60%	0.598	S	S	*	*			trans	-72.7	66.7	-176.3	-70.3	174	-21.4	0	0	111.3	S402 V587 K591	S402-Q589 PolarHBondContact O-NE2 3.03Å; V587-Q589 PolarHBondContact O-N 3.21Å; Q589-K591 PolarHBondContact O-N 3.49Å
590	H	50.5	Low	56.9	Low	148 Å²	148	109.1 Å²	109.1	69%	0.685	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-66.8	118.9	173	-74.8	-78.8	0	0	0	110	S588	S588-H590 PolarHBondContact O-N 3.34Å; S588-H590 PolarHBondContact OG-CD2 3.11Å; S588-H590 PolarHBondContact OG-NE2 2.83Å
591	K	65.9	Low	60.1	Low	142 Å²	142	101 Å²	101	62%	0.617	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-49.1	136.7	161.1	-164.1	167.6	-174	165.9	0	108	Q589 D722	Q589-K591 PolarHBondContact O-N 3.49Å; K591-D722 IonicContact NZ-OD1 2.69Å; K591-D722 PolarHBondContact NZ-OD1 3.18Å
592	P	74.4	Confident	63.4	Low	31 Å²	31	95.5 Å²	95.5	20%	0.201	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-65	147.8	-175.1	28.4	-31.8	0	0	0	109.4	H396	H396-P592 HydrophobicContact CB-CB 4.26Å
593	P	85.7	Confident	66.6	Low	78 Å²	78	92.8 Å²	92.8	51%	0.506	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-60.9	143.7	176.5	27.5	-34.7	0	0	0	109.8	Y394	Y394-P593 WeakPolarHBondContact CE2-O 3.4Å; Y394-P593 PolarHBondContact OH-O 2.88Å
594	P	86.1	Confident	69.9	Low	68 Å²	68	87.2 Å²	87.2	44%	0.442	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-62.1	152.1	175.8	27.6	-34.6	0	0	0	110.8
595	P	89.6	Confident	73	Confident	9 Å²	9	78.5 Å²	78.5	6%	0.058	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-59.6	148	171.7	27.6	-35.8	0	0	0	110.8	Y394 S597 D600 V601 W631 I694	Y394-P595 HydrophobicContact CD2-CB 3.79Å; Y394-P595 HydrophobicContact CE2-CB 3.96Å; Y394-P595 HydrophobicContact CG-CB 4.12Å; P595-S597 VanDerWaalsContact C-N 3.34Å; P595-D600 HydrophobicContact CB-CB 4.34Å; P595-V601 HydrophobicContact CB-CG1 3.65Å; P595-V601 HydrophobicContact CG-CG1 3.83Å; P595-W631 HydrophobicContact CB-CZ3 4.41Å; P595-W631 HydrophobicContact CG-CE3 4.39Å; P595-W631 HydrophobicContact CG-CZ3 3.75Å; P595-I694 HydrophobicContact CG-CD1 4.17Å; P595-I694 HydrophobicContact CG-CG1 4.26Å; P595-I694 HydrophobicContact CG-CG2 4.17Å
596	H	89	Confident	76.4	Confident	158 Å²	158	70 Å²	70	73%	0.731	37%	0.372	S	S	*	.	S	Bend	trans	-74.9	-27.7	-179.3	-56.4	-62.1	0	0	0	112	D600	H596-D600 WeakPolarHBondContact CA-OD2 3.49Å; H596-D600 WeakPolarHBondContact CB-OD2 3.07Å; H596-D600 PolarHBondContact N-OD2 3.22Å; H596-D600 VanDerWaalsContact N-OD2 3.11Å
597	S	91.3	Very high	79.6	Confident	46 Å²	46	68.3 Å²	68.3	32%	0.322	36%	0.356	S	S	.	.			trans	-152	161.6	-179.3	-153.9	0	0	0	0	113.5	P595 Y599 D600 W631	P595-S597 VanDerWaalsContact C-N 3.34Å; S597-Y599 PolarHBondContact O-N 2.92Å; S597-D600 PolarHBondContact N-OD2 3.3Å; S597-D600 WeakPolarHBondContact O-CB 3.41Å; S597-D600 PolarHBondContact O-N 2.88Å; S597-W631 VanDerWaalsContact C-CH2 3.48Å; S597-W631 VanDerWaalsContact C-CZ3 3.48Å
598	E	88.8	Confident	82.7	Confident	21 Å²	21	66.5 Å²	66.5	10%	0.098	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.5	173.5	64.4	175.9	-127.4	0	0	113.1	D600 W631 R636 N688 H692	E598-D600 VanDerWaalsContact C-N 3.34Å; E598-W631 HydrophobicContact CB-CD2 4.18Å; E598-W631 HydrophobicContact CB-CE3 4.03Å; E598-W631 HydrophobicContact CB-CH2 4.11Å; E598-W631 HydrophobicContact CB-CZ2 4.22Å; E598-W631 HydrophobicContact CB-CZ3 4Å; E598-W631 VanDerWaalsContact N-CH2 3.33Å; E598-R636 IonicContact OE1-NH1 3.82Å; E598-R636 IonicContact OE2-CZ 2.77Å; E598-R636 IonicContact OE2-NH1 3.28Å; E598-R636 PolarHBondContact OE2-NH1 2.89Å; E598-R636 IonicContact OE2-NH2 3.62Å; E598-R636 PolarHBondContact OE2-NH2 3.42Å; E598-N688 PolarHBondContact OE1-ND2 2.89Å; E598-H692 PolarHBondContact O-CD2 3.04Å; E598-H692 VanDerWaalsContact O-CD2 3.25Å; E598-H692 IonicContact OE1-CE1 3.89Å; E598-H692 IonicContact OE1-NE2 3.78Å
599	Y	90.2	Very high	85.5	Confident	147 Å²	147	68.7 Å²	68.7	58%	0.576	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.3	171.7	-61.1	-89.8	0	0	0	113.1	S597 V601	S597-Y599 PolarHBondContact O-N 2.92Å; Y599-V601 VanDerWaalsContact C-N 3.33Å
600	D	90.2	Very high	87.9	Confident	32 Å²	32	67.8 Å²	67.8	17%	0.171	35%	0.354	C	S	.	.	S	Bend	trans	-81.7	-11.4	-178.3	-63.1	-36.2	0	0	0	113.3	G392 T393 Y394 P595 H596 S597 E598	G392-D600 CarbonylContact C-O 3.05Å; G392-D600 WeakPolarHBondContact CA-O 3.49Å; T393-D600 PolarHBondContact N-O 3.04Å; T393-D600 VanDerWaalsContact OG1-CA 3.24Å; T393-D600 WeakPolarHBondContact OG1-CA 3.26Å; T393-D600 WeakPolarHBondContact OG1-CB 3.48Å; T393-D600 PolarHBondContact OG1-OD1 3.06Å; Y394-D600 WeakPolarHBondContact CB-O 3.29Å; Y394-D600 PolarHBondContact N-O 2.87Å; P595-D600 HydrophobicContact CB-CB 4.34Å; H596-D600 WeakPolarHBondContact CA-OD2 3.49Å; H596-D600 WeakPolarHBondContact CB-OD2 3.07Å; H596-D600 PolarHBondContact N-OD2 3.22Å; H596-D600 VanDerWaalsContact N-OD2 3.11Å; S597-D600 PolarHBondContact N-OD2 3.3Å; S597-D600 WeakPolarHBondContact O-CB 3.41Å; S597-D600 PolarHBondContact O-N 2.88Å; E598-D600 VanDerWaalsContact C-N 3.34Å
601	V	93.4	Very high	90	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.329	C	S	.	.	S	Bend	trans	-110.6	157.8	-168.1	-56.6	0	0	0	0	112.6	Y394 P595 Y599 R603 H692 I694	Y394-V601 HydrophobicContact CD1-CG1 4.39Å; Y394-V601 HydrophobicContact CG-CG1 4.49Å; P595-V601 HydrophobicContact CB-CG1 3.65Å; P595-V601 HydrophobicContact CG-CG1 3.83Å; Y599-V601 VanDerWaalsContact C-N 3.33Å; V601-R603 WeakPolarHBondContact O-CG 3.5Å; V601-R603 PolarHBondContact O-N 2.92Å; V601-H692 HydrophobicContact CG2-CB 3.91Å; V601-I694 HydrophobicContact CG1-CB 4.48Å; V601-I694 HydrophobicContact CG1-CG1 4.23Å
602	V	96	Very high	91.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132	179.8	179.5	0	0	0	0	109.5	L386 E390 F397 I613 L693	L386-V602 HydrophobicContact CD1-CG1 3.93Å; L386-V602 HydrophobicContact CD2-CG1 3.88Å; L386-V602 HydrophobicContact CD2-CG2 4.19Å; E390-V602 WeakPolarHBondContact O-CA 3.48Å; F397-V602 HydrophobicContact CB-CG2 4.41Å; F397-V602 HydrophobicContact CD1-CG2 3.91Å; F397-V602 HydrophobicContact CD2-CB 3.88Å; F397-V602 HydrophobicContact CD2-CG2 3.5Å; F397-V602 HydrophobicContact CE1-CB 4.5Å; F397-V602 HydrophobicContact CE1-CG2 4.01Å; F397-V602 HydrophobicContact CE2-CB 3.55Å; F397-V602 HydrophobicContact CE2-CG1 4.24Å; F397-V602 HydrophobicContact CE2-CG2 3.63Å; F397-V602 HydrophobicContact CG-CB 4.49Å; F397-V602 HydrophobicContact CG-CG2 3.66Å; F397-V602 HydrophobicContact CZ-CB 3.89Å; F397-V602 HydrophobicContact CZ-CG1 4.1Å; F397-V602 HydrophobicContact CZ-CG2 3.88Å; V602-I613 HydrophobicContact CG1-CD1 3.97Å; V602-I613 HydrophobicContact CG1-CG1 4.02Å; V602-I613 HydrophobicContact CG1-CG2 4.27Å; V602-L693 PolarHBondContact N-O 3.31Å; V602-L693 WeakPolarHBondContact O-CB 3.36Å; V602-L693 PolarHBondContact O-N 2.89Å
603	R	96.4	Very high	92.5	Very high	43 Å²	43	54.9 Å²	54.9	16%	0.162	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.9	-165.1	64.1	-167.7	-167.1	135.9	10.5	112.9	E390 V601 T690 F691	E390-R603 HydrophobicContact CB-CG 3.75Å; E390-R603 PolarHBondContact N-O 2.82Å; E390-R603 PolarHBondContact O-N 2.99Å; E390-R603 IonicContact OE2-CZ 3.33Å; E390-R603 IonicContact OE2-NE 2.74Å; E390-R603 PolarHBondContact OE2-NE 3.16Å; E390-R603 VanDerWaalsContact OE2-NE 3.09Å; E390-R603 IonicContact OE2-NH2 2.91Å; E390-R603 PolarHBondContact OE2-NH2 3.2Å; V601-R603 WeakPolarHBondContact O-CG 3.5Å; V601-R603 PolarHBondContact O-N 2.92Å; R603-T690 HydrophobicContact CB-CG2 4.02Å; R603-T690 HydrophobicContact CG-CG2 4.35Å; R603-F691 CarbonylContact C-O 3.32Å; R603-F691 WeakPolarHBondContact CA-O 3.42Å; R603-F691 WeakPolarHBondContact CB-O 3.31Å
604	H	96.9	Very high	93.1	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.2	167.3	74.7	89.9	0	0	0	111.7	A611 G682 T690 F691	H604-A611 HydrophobicContact CB-CB 4.25Å; H604-A611 PolarHBondContact CE1-O 3.09Å; H604-A611 PolarHBondContact ND1-O 3.02Å; H604-A611 VanDerWaalsContact ND1-O 3.1Å; H604-G682 PolarHBondContact CE1-N 2.76Å; H604-G682 PolarHBondContact NE2-N 2.64Å; H604-T690 CarbonylContact O-C 3.57Å; H604-T690 WeakPolarHBondContact O-CA 3.45Å; H604-T690 WeakPolarHBondContact O-CG2 3.27Å; H604-F691 AromaticContact CD2-CD1 3.88Å; H604-F691 PolarHBondContact N-O 3.36Å; H604-F691 VanDerWaalsContact N-O 3.08Å; H604-F691 AromaticContact NE2-CD1 3.88Å; H604-F691 AromaticContact NE2-CG 3.87Å; H604-F691 PolarHBondContact O-N 3.09Å
605	S	96.2	Very high	93.6	Very high	33 Å²	33	49 Å²	49	23%	0.231	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.6	175.1	-162.3	0	0	0	0	111.8	N607	S605-N607 PolarHBondContact OG-N 2.7Å
606	L	95.9	Very high	94	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.225	27%	0.274	C	S	.	.	S	Bend	trans	-95.1	5.1	168.6	-59.8	178.1	0	0	0	112.4	G682 N685 R689 F691	L606-G682 VanDerWaalsContact CD2-C 3.49Å; L606-G682 WeakPolarHBondContact CD2-O 3.43Å; L606-N685 HydrophobicContact CD1-CB 3.8Å; L606-R689 HydrophobicContact CB-CB 4.47Å; L606-R689 WeakPolarHBondContact CB-O 3.34Å; L606-R689 PolarHBondContact N-O 2.97Å; L606-F691 HydrophobicContact CD2-CB 4.11Å
607	N	94.2	Very high	94.3	Very high	95 Å²	95	46 Å²	46	51%	0.508	24%	0.239	S	C	.	.	S	Bend	trans	-91.9	-20.9	174.7	-66.8	-59.7	0	0	0	113.4	S605 R689	S605-N607 PolarHBondContact OG-N 2.7Å; N607-R689 WeakPolarHBondContact OD1-CD 3.39Å; N607-R689 PolarHBondContact OD1-NH1 2.85Å
608	D	93.1	Very high	94.3	Very high	75 Å²	75	45.3 Å²	45.3	40%	0.401	24%	0.24	S	C	.	.	S	Bend	trans	-100.9	116.9	173	173.1	14.3	0	0	0	108.9	N610 A611	D608-N610 PolarHBondContact O-N 3.08Å; D608-N610 WeakPolarHBondContact OD1-CB 3.46Å; D608-N610 PolarHBondContact OD1-N 3.5Å; D608-N610 PolarHBondContact OD1-ND2 3.01Å; D608-A611 HydrophobicContact CB-CB 3.87Å; D608-A611 WeakPolarHBondContact O-CB 3.39Å; D608-A611 PolarHBondContact O-N 2.96Å; D608-A611 VanDerWaalsContact O-N 3.15Å
609	P	90.1	Very high	94.4	Very high	124 Å²	124	47.7 Å²	47.7	81%	0.805	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.7	179.6	29.7	-36.4	0	0	0	113.5
610	N	91.6	Very high	94.6	Very high	123 Å²	123	42.6 Å²	42.6	66%	0.658	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.7	176	-49.2	-78.2	0	0	0	112.5	D608 N612	D608-N610 PolarHBondContact O-N 3.08Å; D608-N610 WeakPolarHBondContact OD1-CB 3.46Å; D608-N610 PolarHBondContact OD1-N 3.5Å; D608-N610 PolarHBondContact OD1-ND2 3.01Å; N610-N612 PolarHBondContact O-ND2 2.9Å
611	A	94.9	Very high	94.8	Very high	19 Å²	19	41.1 Å²	41.1	16%	0.157	23%	0.227	C	C	.	.			trans	-73.3	130.2	-177.3	0	0	0	0	0	111.2	H604 D608	H604-A611 HydrophobicContact CB-CB 4.25Å; H604-A611 PolarHBondContact CE1-O 3.09Å; H604-A611 PolarHBondContact ND1-O 3.02Å; H604-A611 VanDerWaalsContact ND1-O 3.1Å; D608-A611 HydrophobicContact CB-CB 3.87Å; D608-A611 WeakPolarHBondContact O-CB 3.39Å; D608-A611 PolarHBondContact O-N 2.96Å; D608-A611 VanDerWaalsContact O-N 3.15Å
612	N	96.4	Very high	94.9	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.16	23%	0.231	C	C	.	.			trans	-158.5	170.5	-179.8	57.5	78	0	0	0	109.9	A388 G389 N610 I614 R679 T681	A388-N612 CarbonylContact C-O 3.54Å; G389-N612 PolarHBondContact N-O 3.02Å; N610-N612 PolarHBondContact O-ND2 2.9Å; N612-I614 WeakPolarHBondContact OD1-CD1 3.44Å; N612-I614 WeakPolarHBondContact OD1-CG1 3.38Å; N612-R679 HydrophobicContact CB-CG 4.03Å; N612-T681 HydrophobicContact CB-CG2 4.36Å
613	I	97.3	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	174.4	-72.1	161.3	0	0	0	108.3	L386 A388 V602 I615 R679 I680 F691 L693	L386-I613 HydrophobicContact CD1-CG2 3.94Å; A388-I613 WeakPolarHBondContact O-CA 3.26Å; V602-I613 HydrophobicContact CG1-CD1 3.97Å; V602-I613 HydrophobicContact CG1-CG1 4.02Å; V602-I613 HydrophobicContact CG1-CG2 4.27Å; I613-I615 HydrophobicContact CG2-CD1 4.29Å; I613-I615 HydrophobicContact CG2-CG1 4.16Å; I613-R679 CarbonylContact O-C 3.57Å; I613-R679 WeakPolarHBondContact O-CA 3.5Å; I613-I680 HydrophobicContact CB-CB 4.3Å; I613-I680 HydrophobicContact CG2-CD1 4.41Å; I613-I680 PolarHBondContact N-O 2.87Å; I613-I680 PolarHBondContact O-N 3.37Å; I613-F691 HydrophobicContact CD1-CD1 3.99Å; I613-F691 HydrophobicContact CD1-CE1 4.2Å; I613-L693 HydrophobicContact CD1-CB 4.18Å; I613-L693 HydrophobicContact CD1-CD2 4.2Å
614	I	97.4	Very high	94.7	Very high	22 Å²	22	40.3 Å²	40.3	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	174.4	-60.7	174	0	0	0	109.7	I387 A388 N612 W651 I678 R679	I387-I614 HydrophobicContact CB-CB 4.16Å; I387-I614 HydrophobicContact CB-CG2 4Å; I387-I614 HydrophobicContact CD1-CG2 4.5Å; I387-I614 HydrophobicContact CG2-CB 4.46Å; I387-I614 HydrophobicContact CG2-CG2 4.34Å; I387-I614 PolarHBondContact N-O 2.88Å; A388-I614 HydrophobicContact CB-CB 3.87Å; A388-I614 HydrophobicContact CB-CD1 4.06Å; A388-I614 HydrophobicContact CB-CG1 3.92Å; A388-I614 PolarHBondContact N-O 3.17Å; A388-I614 PolarHBondContact O-N 2.89Å; N612-I614 WeakPolarHBondContact OD1-CD1 3.44Å; N612-I614 WeakPolarHBondContact OD1-CG1 3.38Å; I614-W651 HydrophobicContact CG2-CH2 4.47Å; I614-I678 CarbonylContact C-O 3.58Å; I614-I678 WeakPolarHBondContact CA-O 3.26Å; I614-R679 HydrophobicContact CG1-CB 4.22Å; I614-R679 HydrophobicContact CG1-CG 4.22Å
615	I	97.1	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131	176.6	-61.6	169.8	0	0	0	108.4	S385 L386 F397 F398 I613 F677 I678 I680 F696	S385-I615 WeakPolarHBondContact O-CA 3.49Å; L386-I615 HydrophobicContact CD1-CG1 4.02Å; F397-I615 HydrophobicContact CE1-CD1 4.04Å; F397-I615 HydrophobicContact CZ-CD1 4.04Å; F398-I615 HydrophobicContact CE1-CD1 4.36Å; F398-I615 HydrophobicContact CE1-CG2 4.1Å; F398-I615 HydrophobicContact CZ-CG2 4.27Å; I613-I615 HydrophobicContact CG2-CD1 4.29Å; I613-I615 HydrophobicContact CG2-CG1 4.16Å; I615-F677 CarbonylContact O-C 3.57Å; I615-F677 WeakPolarHBondContact O-CA 3.22Å; I615-I678 PolarHBondContact N-O 3.43Å; I615-I678 PolarHBondContact O-N 3.33Å; I615-I680 HydrophobicContact CD1-CD1 4.43Å; I615-F696 HydrophobicContact CD1-CB 4.18Å; I615-F696 HydrophobicContact CD1-CD1 3.41Å; I615-F696 VanDerWaalsContact CD1-CD1 3.41Å; I615-F696 HydrophobicContact CD1-CD2 4.04Å; I615-F696 HydrophobicContact CD1-CE1 3.71Å; I615-F696 HydrophobicContact CD1-CE2 4.31Å; I615-F696 HydrophobicContact CD1-CG 3.59Å; I615-F696 HydrophobicContact CD1-CZ 4.16Å; I615-F696 HydrophobicContact CG2-CE1 4.36Å
616	R	97.3	Very high	94.6	Very high	103 Å²	103	38.5 Å²	38.5	39%	0.389	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130	173.9	174.6	-177.6	-171.6	-177.1	0.1	109.9	C384 S385 I387 H676 F677	C384-R616 CarbonylContact C-O 3.48Å; C384-R616 VanDerWaalsContact CA-O 3.23Å; C384-R616 WeakPolarHBondContact CA-O 3.21Å; C384-R616 PolarHBondContact SG-O 3.12Å; S385-R616 PolarHBondContact N-O 3.15Å; S385-R616 PolarHBondContact O-N 2.85Å; I387-R616 HydrophobicContact CD1-CB 3.64Å; I387-R616 HydrophobicContact CD1-CG 4.39Å; I387-R616 HydrophobicContact CG1-CB 4.09Å; R616-H676 WeakPolarHBondContact CA-O 3.46Å; R616-H676 PolarHBondContact NE-NE2 3.41Å; R616-H676 VanDerWaalsContact NE-NE2 3.11Å; R616-H676 PolarHBondContact NH2-NE2 3.29Å; R616-F677 HydrophobicContact CB-CD1 3.82Å; R616-F677 HydrophobicContact CB-CE1 3.88Å; R616-F677 HydrophobicContact CG-CD1 3.95Å; R616-F677 HydrophobicContact CG-CE1 3.61Å; R616-F677 HydrophobicContact CG-CZ 4.31Å
617	L	96.1	Very high	94.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.6	167.2	-52.8	-178.1	0	0	0	109.7	L377 K619 V623 I675 H676	L377-L617 HydrophobicContact CB-CD2 4.37Å; L617-K619 VanDerWaalsContact C-N 3.28Å; L617-K619 PolarHBondContact O-N 2.92Å; L617-V623 HydrophobicContact CD1-CG2 4.38Å; L617-I675 HydrophobicContact CD1-CG2 4.29Å; L617-H676 PolarHBondContact N-O 2.81Å; L617-H676 PolarHBondContact O-CD2 3.11Å; L617-H676 VanDerWaalsContact O-CD2 3.22Å
618	G	91.7	Very high	94.6	Very high	33 Å²	33	34.8 Å²	34.8	34%	0.34	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-17.3	-175.4	0	0	0	0	0	115.5	F382 G383	F382-G618 WeakPolarHBondContact O-CA 3.47Å; F382-G618 PolarHBondContact O-N 2.76Å; G383-G618 WeakPolarHBondContact O-CA 3.4Å
619	K	90.5	Very high	94.7	Very high	70 Å²	70	32.5 Å²	32.5	30%	0.304	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.4	166.6	-72.9	-169.7	177.4	-174.3	0	109.5	A176 L617 S621	A176-K619 PolarHBondContact O-NZ 3.23Å; L617-K619 VanDerWaalsContact C-N 3.28Å; L617-K619 PolarHBondContact O-N 2.92Å; K619-S621 PolarHBondContact O-N 3.23Å; K619-S621 PolarHBondContact O-OG 3.01Å
620	P	94	Very high	94.9	Very high	41 Å²	41	26.6 Å²	26.6	27%	0.266	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	125.1	161.2	-21.7	33	0	0	0	109.5	G369 W370 L646 V674 I675 H676	G369-P620 CarbonylContact C-O 3.58Å; G369-P620 WeakPolarHBondContact CA-O 3.45Å; W370-P620 PolarHBondContact N-O 3.07Å; P620-L646 HydrophobicContact CB-CD2 4.49Å; P620-V674 HydrophobicContact CB-CG1 3.7Å; P620-I675 WeakPolarHBondContact CA-O 3.38Å; P620-H676 HydrophobicContact CB-CB 4.43Å; P620-H676 HydrophobicContact CG-CB 4.36Å
621	S	94.8	Very high	95.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144	-169.2	-56.8	0	0	0	0	111.9	W370 K619 V623 V674 I675	W370-S621 CarbonylContact O-C 3.53Å; W370-S621 WeakPolarHBondContact O-CA 3.26Å; W370-S621 WeakPolarHBondContact O-CB 3.44Å; K619-S621 PolarHBondContact O-N 3.23Å; K619-S621 PolarHBondContact O-OG 3.01Å; S621-V623 PolarHBondContact O-N 2.91Å; S621-V674 CarbonylContact O-C 3.56Å; S621-V674 WeakPolarHBondContact O-CA 3.11Å; S621-I675 PolarHBondContact N-O 3.45Å; S621-I675 PolarHBondContact O-N 2.8Å
622	I	94.9	Very high	94.9	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.087	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121	177.1	-66	169	0	0	0	108.9	D200 G369 W370 L371 V674 Y700	D200-I622 HydrophobicContact CB-CD1 3.64Å; G369-I622 VanDerWaalsContact O-CD1 3.28Å; G369-I622 WeakPolarHBondContact O-CD1 3.43Å; G369-I622 WeakPolarHBondContact O-CG1 3.45Å; W370-I622 PolarHBondContact O-N 2.95Å; L371-I622 HydrophobicContact CB-CB 4.32Å; L371-I622 HydrophobicContact CB-CD1 4.35Å; L371-I622 HydrophobicContact CD1-CB 4.12Å; L371-I622 HydrophobicContact CD1-CG2 4.09Å; I622-V674 HydrophobicContact CG1-CG2 3.88Å; I622-Y700 HydrophobicContact CG2-CD2 3.88Å; I622-Y700 HydrophobicContact CG2-CE2 4Å
623	V	94.7	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.2	-171.6	169.5	0	0	0	0	109.3	L377 L617 S621 F670 R673 I675 C698	L377-V623 HydrophobicContact CD1-CG2 3.79Å; L617-V623 HydrophobicContact CD1-CG2 4.38Å; S621-V623 PolarHBondContact O-N 2.91Å; V623-F670 HydrophobicContact CG1-CE2 4.1Å; V623-F670 HydrophobicContact CG1-CZ 3.71Å; V623-R673 PolarHBondContact N-O 2.97Å; V623-R673 PolarHBondContact O-N 3.32Å; V623-I675 HydrophobicContact CB-CD1 4.09Å; V623-I675 HydrophobicContact CG1-CD1 4.1Å; V623-C698 WeakPolarHBondContact CG1-SG 3.45Å
624	N	94.3	Very high	94.3	Very high	11 Å²	11	27 Å²	27	6%	0.059	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-3.1	173.3	70.5	4.4	0	0	0	113.9	Y669 F670 F699 Y700 S701	N624-Y669 WeakPolarHBondContact O-CA 3.45Å; N624-F670 WeakPolarHBondContact CB-O 3.22Å; N624-F670 PolarHBondContact O-N 2.78Å; N624-F699 PolarHBondContact N-O 2.84Å; N624-Y700 HydrophobicContact CB-CD2 4.41Å; N624-S701 PolarHBondContact ND2-O 2.67Å; N624-S701 PolarHBondContact OD1-N 3.1Å; N624-S701 PolarHBondContact OD1-O 2.98Å
625	T	95.5	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.6	-175.6	-50.8	0	0	0	0	111.2	L668 Y669 F699 S701	T625-L668 WeakPolarHBondContact CA-O 3.09Å; T625-Y669 HydrophobicContact CG2-CD1 3.9Å; T625-Y669 HydrophobicContact CG2-CE1 3.58Å; T625-Y669 WeakPolarHBondContact OG1-CD1 3.41Å; T625-Y669 WeakPolarHBondContact OG1-CE1 3.31Å; T625-F699 HydrophobicContact CG2-CD1 4.5Å; T625-F699 HydrophobicContact CG2-CD2 4.5Å; T625-F699 HydrophobicContact CG2-CE1 3.81Å; T625-F699 HydrophobicContact CG2-CE2 3.82Å; T625-F699 HydrophobicContact CG2-CZ 3.42Å; T625-F699 VanDerWaalsContact CG2-CZ 3.42Å; T625-F699 PolarHBondContact N-O 2.72Å; T625-F699 VanDerWaalsContact N-O 3.09Å; T625-F699 PolarHBondContact O-N 3.11Å; T625-F699 VanDerWaalsContact O-O 3.13Å; T625-S701 VanDerWaalsContact OG1-CB 3.28Å; T625-S701 WeakPolarHBondContact OG1-CB 3.06Å
626	I	95.8	Very high	93.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.6	166.1	-74.2	169	0	0	0	108.3	I642 I654 L668 F670 I678 F696 R697	I626-I642 HydrophobicContact CD1-CG2 4.19Å; I626-I642 HydrophobicContact CG2-CD1 4.37Å; I626-I654 HydrophobicContact CD1-CD1 3.83Å; I626-L668 HydrophobicContact CB-CB 4.47Å; I626-L668 HydrophobicContact CG2-CD1 4.43Å; I626-L668 PolarHBondContact N-O 3.04Å; I626-L668 PolarHBondContact O-N 2.8Å; I626-F670 HydrophobicContact CB-CE1 4.16Å; I626-F670 HydrophobicContact CD1-CE1 3.86Å; I626-F670 HydrophobicContact CD1-CZ 4Å; I626-F670 HydrophobicContact CG1-CE1 3.8Å; I626-F670 HydrophobicContact CG1-CZ 4.01Å; I626-I678 HydrophobicContact CD1-CD1 4.26Å; I626-I678 HydrophobicContact CD1-CG2 4.15Å; I626-F696 HydrophobicContact CD1-CZ 4.3Å; I626-F696 HydrophobicContact CG1-CZ 4.21Å; I626-F696 HydrophobicContact CG2-CD2 4.33Å; I626-F696 HydrophobicContact CG2-CE2 3.51Å; I626-F696 HydrophobicContact CG2-CZ 4.01Å; I626-R697 WeakPolarHBondContact CA-O 3.28Å
627	R	94.2	Very high	93.6	Very high	60 Å²	60	26.3 Å²	26.3	23%	0.226	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.7	172.7	-170	-178.5	-174.3	-129.4	-1.8	109.5	W665 Q666 T667 R697 F699	R627-W665 HydrophobicContact CG-CE3 3.78Å; R627-W665 HydrophobicContact CG-CZ3 3.9Å; R627-W665 VanDerWaalsContact CZ-CE3 3.42Å; R627-Q666 WeakPolarHBondContact CA-O 3.37Å; R627-Q666 WeakPolarHBondContact CG-O 3.26Å; R627-T667 HydrophobicContact CG-CG2 4.37Å; R627-R697 HydrophobicContact CB-CB 4.49Å; R627-R697 PolarHBondContact N-O 3.33Å; R627-R697 WeakPolarHBondContact O-CA 3.41Å; R627-R697 PolarHBondContact O-N 2.91Å; R627-F699 HydrophobicContact CB-CE1 4.13Å
628	M	95.1	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.5	-175.7	67.5	-176.6	-166.9	0	0	111.4	L630 Y640 I642 Q666 L668 I680 L693 T695 F696	M628-L630 HydrophobicContact CE-CD2 4.41Å; M628-Y640 HydrophobicContact CE-CD1 4.45Å; M628-Y640 HydrophobicContact CE-CD2 3.9Å; M628-Y640 HydrophobicContact CE-CE1 4.02Å; M628-Y640 HydrophobicContact CE-CE2 3.4Å; M628-Y640 VanDerWaalsContact CE-CE2 3.4Å; M628-Y640 HydrophobicContact CE-CG 4.41Å; M628-Y640 VanDerWaalsContact CE-CZ 3.46Å; M628-I642 HydrophobicContact CE-CD1 4.03Å; M628-I642 HydrophobicContact SD-CD1 4.17Å; M628-Q666 HydrophobicContact CE-CB 4.24Å; M628-Q666 HydrophobicContact CE-CG 3.98Å; M628-Q666 HydrophobicContact CG-CB 3.88Å; M628-Q666 HydrophobicContact CG-CG 4.19Å; M628-Q666 PolarHBondContact N-O 3Å; M628-Q666 PolarHBondContact O-N 2.69Å; M628-L668 HydrophobicContact CE-CD1 4.16Å; M628-I680 HydrophobicContact SD-CD1 4.1Å; M628-L693 HydrophobicContact CB-CD1 3.95Å; M628-L693 HydrophobicContact CG-CD1 4.01Å; M628-L693 HydrophobicContact SD-CD1 3.77Å; M628-T695 CarbonylContact C-O 3.54Å; M628-T695 VanDerWaalsContact CA-O 3.23Å; M628-T695 WeakPolarHBondContact CA-O 3.35Å; M628-T695 WeakPolarHBondContact CB-O 3.13Å; M628-F696 HydrophobicContact CB-CD2 3.9Å; M628-F696 HydrophobicContact SD-CD2 4.36Å
629	Q	94.2	Very high	94	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.126	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.4	178.6	-166.5	-176.3	-3.5	0	0	110.4	D632 W665 I694 T695	Q629-D632 PolarHBondContact NE2-OD1 3.33Å; Q629-D632 PolarHBondContact NE2-OD2 2.91Å; Q629-W665 HydrophobicContact CB-CD2 3.92Å; Q629-W665 HydrophobicContact CB-CE3 4.04Å; Q629-W665 HydrophobicContact CB-CG 4.47Å; Q629-W665 HydrophobicContact CB-CH2 4.28Å; Q629-W665 HydrophobicContact CB-CZ2 4.11Å; Q629-W665 HydrophobicContact CB-CZ3 4.22Å; Q629-W665 VanDerWaalsContact CD-NE1 3.34Å; Q629-W665 HydrophobicContact CG-CD2 4.06Å; Q629-W665 HydrophobicContact CG-CG 4.2Å; Q629-W665 HydrophobicContact CG-CZ2 4.38Å; Q629-W665 VanDerWaalsContact OE1-CZ2 3.29Å; Q629-I694 HydrophobicContact CB-CB 4.23Å; Q629-I694 HydrophobicContact CG-CB 4.48Å; Q629-I694 HydrophobicContact CG-CD1 4.28Å; Q629-I694 PolarHBondContact O-N 2.84Å; Q629-T695 HydrophobicContact CB-CG2 3.8Å; Q629-T695 PolarHBondContact N-O 2.85Å
630	L	95.6	Very high	94.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	155	168.7	-59.6	168.5	0	0	0	109.7	M628 D632 Y638 Y640 C662 S664 Q666 F691 L693	M628-L630 HydrophobicContact CE-CD2 4.41Å; L630-D632 PolarHBondContact O-N 2.99Å; L630-Y638 HydrophobicContact CB-CD2 3.96Å; L630-Y638 HydrophobicContact CB-CE2 4.32Å; L630-Y638 HydrophobicContact CD1-CD2 4.36Å; L630-Y638 HydrophobicContact CD2-CD2 4.43Å; L630-Y638 HydrophobicContact CD2-CG 4.49Å; L630-Y638 HydrophobicContact CG-CD2 4.49Å; L630-Y640 HydrophobicContact CD1-CD1 4.45Å; L630-Y640 HydrophobicContact CD1-CE1 4.02Å; L630-C662 HydrophobicContact CD1-CB 3.99Å; L630-S664 PolarHBondContact N-O 3.28Å; L630-Q666 HydrophobicContact CD1-CG 3.64Å; L630-Q666 HydrophobicContact CG-CG 3.89Å; L630-F691 HydrophobicContact CD2-CE1 4.41Å; L630-F691 HydrophobicContact CD2-CE2 3.77Å; L630-F691 HydrophobicContact CD2-CZ 3.5Å; L630-L693 HydrophobicContact CD2-CD1 4.18Å
631	W	94.7	Very high	94.5	Very high	19 Å²	19	19.8 Å²	19.8	7%	0.072	10%	0.095	C	C	.	.			trans	-56.4	125	176.3	-177.4	-86.9	0	0	0	112.4	P595 S597 E598 Q633 D634 Y638 H692 I694	P595-W631 HydrophobicContact CB-CZ3 4.41Å; P595-W631 HydrophobicContact CG-CE3 4.39Å; P595-W631 HydrophobicContact CG-CZ3 3.75Å; S597-W631 VanDerWaalsContact C-CH2 3.48Å; S597-W631 VanDerWaalsContact C-CZ3 3.48Å; E598-W631 HydrophobicContact CB-CD2 4.18Å; E598-W631 HydrophobicContact CB-CE3 4.03Å; E598-W631 HydrophobicContact CB-CH2 4.11Å; E598-W631 HydrophobicContact CB-CZ2 4.22Å; E598-W631 HydrophobicContact CB-CZ3 4Å; E598-W631 VanDerWaalsContact N-CH2 3.33Å; W631-Q633 HydrophobicContact CD2-CG 4.4Å; W631-Q633 HydrophobicContact CH2-CB 4.45Å; W631-Q633 HydrophobicContact CH2-CG 3.97Å; W631-Q633 HydrophobicContact CZ2-CB 3.73Å; W631-Q633 HydrophobicContact CZ2-CG 3.73Å; W631-Q633 HydrophobicContact CZ3-CG 4.41Å; W631-D634 PolarHBondContact NE1-OD2 2.78Å; W631-Y638 HydrophobicContact CB-CE2 3.97Å; W631-Y638 WeakPolarHBondContact CB-OH 3.19Å; W631-H692 HydrophobicContact CB-CB 4.09Å; W631-I694 HydrophobicContact CE3-CD1 4.29Å; W631-I694 HydrophobicContact CE3-CG1 4.37Å
632	D	91.6	Very high	94.7	Very high	22 Å²	22	19.8 Å²	19.8	12%	0.118	10%	0.095	C	C	.	.			trans	-137.4	8	-168.4	58.2	6.1	0	0	0	114.9	Q629 L630 D634 S664	Q629-D632 PolarHBondContact NE2-OD1 3.33Å; Q629-D632 PolarHBondContact NE2-OD2 2.91Å; L630-D632 PolarHBondContact O-N 2.99Å; D632-D634 PolarHBondContact O-N 2.89Å; D632-S664 WeakPolarHBondContact OD2-CA 3.1Å; D632-S664 VanDerWaalsContact OD2-CB 3.26Å; D632-S664 WeakPolarHBondContact OD2-CB 3.39Å; D632-S664 PolarHBondContact OD2-OG 2.74Å
633	Q	90	Very high	94.8	Very high	94 Å²	94	19.2 Å²	19.2	44%	0.439	9%	0.092	S	C	.	.	S	Bend	trans	-68.7	-20.4	179.1	-55.7	-56.5	-70.6	0	0	112.6	W631	W631-Q633 HydrophobicContact CD2-CG 4.4Å; W631-Q633 HydrophobicContact CH2-CB 4.45Å; W631-Q633 HydrophobicContact CH2-CG 3.97Å; W631-Q633 HydrophobicContact CZ2-CB 3.73Å; W631-Q633 HydrophobicContact CZ2-CG 3.73Å; W631-Q633 HydrophobicContact CZ3-CG 4.41Å
634	D	90.6	Very high	94.9	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	9%	0.093	C	C	.	.	S	Bend	trans	-125.4	-166	173.6	62	67.6	0	0	0	111.6	W631 D632 R636 R663	W631-D634 PolarHBondContact NE1-OD2 2.78Å; D632-D634 PolarHBondContact O-N 2.89Å; D634-R636 VanDerWaalsContact CG-NE 3.35Å; D634-R636 VanDerWaalsContact OD1-CB 3.23Å; D634-R636 WeakPolarHBondContact OD1-CB 3.42Å; D634-R636 WeakPolarHBondContact OD1-CG 3.48Å; D634-R636 IonicContact OD1-CZ 2.9Å; D634-R636 PolarHBondContact OD1-N 2.86Å; D634-R636 IonicContact OD1-NE 2.94Å; D634-R636 PolarHBondContact OD1-NE 2.86Å; D634-R636 IonicContact OD1-NH2 2.71Å; D634-R636 IonicContact OD2-CZ 3.71Å; D634-R636 IonicContact OD2-NE 3.28Å; D634-R636 PolarHBondContact OD2-NE 3.29Å; D634-R636 IonicContact OD2-NH2 3.42Å; D634-R636 PolarHBondContact OD2-NH2 3.32Å; D634-R663 PolarHBondContact O-NH2 2.8Å
635	L	89.4	Confident	94.9	Very high	100 Å²	100	19 Å²	19	52%	0.524	9%	0.092	S	C	.	.	S	Bend	trans	-92.4	6.1	-174.8	-63.3	-177.6	0	0	0	115	R663 L728	L635-R663 PolarHBondContact O-NH1 2.86Å; L635-L728 HydrophobicContact CD2-CD2 4.02Å
636	R	93.7	Very high	94.7	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.038	10%	0.104	C	C	.	.			trans	-62.4	157.6	179.5	77.7	-174.9	71.2	177.2	6.3	113	E598 D634 Y638 T686 F687	E598-R636 IonicContact OE1-NH1 3.82Å; E598-R636 IonicContact OE2-CZ 2.77Å; E598-R636 IonicContact OE2-NH1 3.28Å; E598-R636 PolarHBondContact OE2-NH1 2.89Å; E598-R636 IonicContact OE2-NH2 3.62Å; E598-R636 PolarHBondContact OE2-NH2 3.42Å; D634-R636 VanDerWaalsContact CG-NE 3.35Å; D634-R636 VanDerWaalsContact OD1-CB 3.23Å; D634-R636 WeakPolarHBondContact OD1-CB 3.42Å; D634-R636 WeakPolarHBondContact OD1-CG 3.48Å; D634-R636 IonicContact OD1-CZ 2.9Å; D634-R636 PolarHBondContact OD1-N 2.86Å; D634-R636 IonicContact OD1-NE 2.94Å; D634-R636 PolarHBondContact OD1-NE 2.86Å; D634-R636 IonicContact OD1-NH2 2.71Å; D634-R636 IonicContact OD2-CZ 3.71Å; D634-R636 IonicContact OD2-NE 3.28Å; D634-R636 PolarHBondContact OD2-NE 3.29Å; D634-R636 IonicContact OD2-NH2 3.42Å; D634-R636 PolarHBondContact OD2-NH2 3.32Å; R636-Y638 VanDerWaalsContact CD-OH 3.24Å; R636-Y638 WeakPolarHBondContact CD-OH 3.44Å; R636-Y638 HydrophobicContact CG-CE2 3.9Å; R636-T686 WeakPolarHBondContact CA-OG1 3Å; R636-F687 HydrophobicContact CB-CB 3.77Å
637	S	95.3	Very high	94.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.125	C	C	.	.			trans	-131	155.9	172.5	-61.6	0	0	0	0	110.5	C662 N685 T686 Q765	S637-C662 CarbonylContact C-O 3.49Å; S637-C662 WeakPolarHBondContact CA-O 3.36Å; S637-N685 WeakPolarHBondContact O-CA 3.41Å; S637-T686 PolarHBondContact N-OG1 3.29Å; S637-T686 PolarHBondContact O-N 3.4Å; S637-Q765 PolarHBondContact OG-NE2 3.22Å
638	Y	97.5	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	156	-178.8	-64.2	-88.6	0	0	0	111.4	L630 W631 R636 C662 R684 N685 F691 H692	L630-Y638 HydrophobicContact CB-CD2 3.96Å; L630-Y638 HydrophobicContact CB-CE2 4.32Å; L630-Y638 HydrophobicContact CD1-CD2 4.36Å; L630-Y638 HydrophobicContact CD2-CD2 4.43Å; L630-Y638 HydrophobicContact CD2-CG 4.49Å; L630-Y638 HydrophobicContact CG-CD2 4.49Å; W631-Y638 HydrophobicContact CB-CE2 3.97Å; W631-Y638 WeakPolarHBondContact CB-OH 3.19Å; R636-Y638 VanDerWaalsContact CD-OH 3.24Å; R636-Y638 WeakPolarHBondContact CD-OH 3.44Å; R636-Y638 HydrophobicContact CG-CE2 3.9Å; Y638-C662 PolarHBondContact N-O 2.71Å; Y638-C662 WeakPolarHBondContact O-CB 3.48Å; Y638-C662 PolarHBondContact O-N 2.92Å; Y638-R684 VanDerWaalsContact CA-O 3.24Å; Y638-R684 WeakPolarHBondContact CA-O 3.45Å; Y638-N685 HydrophobicContact CD1-CB 3.65Å; Y638-N685 HydrophobicContact CE1-CB 3.55Å; Y638-N685 VanDerWaalsContact CE1-CG 3.45Å; Y638-N685 WeakPolarHBondContact CE1-ND2 3.36Å; Y638-F691 AromaticContact CD1-CD2 3.64Å; Y638-F691 HydrophobicContact CD1-CD2 3.64Å; Y638-F691 HydrophobicContact CD1-CE2 4.09Å; Y638-F691 HydrophobicContact CD1-CG 4.47Å; Y638-F691 HydrophobicContact CE1-CD2 4.29Å; Y638-F691 HydrophobicContact CG-CD2 4.27Å; Y638-F691 HydrophobicContact CG-CE2 4.28Å; Y638-H692 AromaticContact CZ-ND1 3.96Å; Y638-H692 PolarHBondContact OH-ND1 3.39Å
639	S	97.1	Very high	94.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.2	166.6	-50.1	0	0	0	0	108.1	Y657 Q658 Y660 T683 R684	S639-Y657 WeakPolarHBondContact CB-O 3.49Å; S639-Q658 VanDerWaalsContact CB-O 3.26Å; S639-Q658 WeakPolarHBondContact CB-O 3.48Å; S639-Y660 WeakPolarHBondContact CB-O 3.34Å; S639-Y660 PolarHBondContact OG-O 2.91Å; S639-T683 WeakPolarHBondContact CB-OG1 3.35Å; S639-T683 PolarHBondContact O-N 3.27Å; S639-T683 PolarHBondContact O-OG1 2.89Å; S639-R684 PolarHBondContact N-O 2.85Å; S639-R684 PolarHBondContact O-N 3.21Å
640	Y	98	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	164.7	-171.3	63.3	-89.6	0	0	0	113	M628 L630 I642 V655 Y657 Q658 C662 Q666 L668 T681 F691	M628-Y640 HydrophobicContact CE-CD1 4.45Å; M628-Y640 HydrophobicContact CE-CD2 3.9Å; M628-Y640 HydrophobicContact CE-CE1 4.02Å; M628-Y640 HydrophobicContact CE-CE2 3.4Å; M628-Y640 VanDerWaalsContact CE-CE2 3.4Å; M628-Y640 HydrophobicContact CE-CG 4.41Å; M628-Y640 VanDerWaalsContact CE-CZ 3.46Å; L630-Y640 HydrophobicContact CD1-CD1 4.45Å; L630-Y640 HydrophobicContact CD1-CE1 4.02Å; Y640-I642 HydrophobicContact CD2-CD1 4.4Å; Y640-I642 HydrophobicContact CD2-CG1 3.93Å; Y640-I642 HydrophobicContact CE2-CD1 4Å; Y640-I642 HydrophobicContact CE2-CG1 3.96Å; Y640-V655 HydrophobicContact CE2-CG1 4.09Å; Y640-Y657 HydrophobicContact CE1-CD2 4.16Å; Y640-Y657 HydrophobicContact CE2-CD2 4.25Å; Y640-Y657 AromaticContact CZ-CD2 3.68Å; Y640-Y657 PolarHBondContact N-O 3.17Å; Y640-Y657 CarbonylContact O-C 3.56Å; Y640-Y657 VanDerWaalsContact O-CA 3.26Å; Y640-Y657 WeakPolarHBondContact O-CA 3.18Å; Y640-Y657 PolarHBondContact O-N 3.09Å; Y640-Y657 WeakPolarHBondContact OH-CD2 3.49Å; Y640-Q658 PolarHBondContact O-N 2.86Å; Y640-C662 HydrophobicContact CE1-CB 3.83Å; Y640-Q666 HydrophobicContact CE1-CG 4.31Å; Y640-Q666 WeakPolarHBondContact OH-CG 3.46Å; Y640-Q666 PolarHBondContact OH-OE1 2.9Å; Y640-L668 HydrophobicContact CE2-CD1 4.14Å; Y640-T681 CarbonylContact C-O 3.59Å; Y640-T681 WeakPolarHBondContact CA-O 3.26Å; Y640-T681 WeakPolarHBondContact CB-O 3.28Å; Y640-F691 HydrophobicContact CD1-CE2 4.35Å; Y640-F691 HydrophobicContact CG-CE2 4.36Å; Y640-F691 HydrophobicContact CG-CZ 4.47Å
641	T	97.8	Very high	93.9	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.9	166.5	63.6	0	0	0	0	110.4	V655 Q658 T681	T641-V655 CarbonylContact C-O 3.48Å; T641-V655 WeakPolarHBondContact CA-O 3.34Å; T641-Q658 HydrophobicContact CG2-CB 4.05Å; T641-T681 PolarHBondContact N-O 3.3Å; T641-T681 PolarHBondContact O-N 3.44Å
642	I	97.9	Very high	93.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.4	170.1	-51.4	-175.6	0	0	0	109.2	I626 M628 Y640 I654 V655 L668 I678 R679 I680	I626-I642 HydrophobicContact CD1-CG2 4.19Å; I626-I642 HydrophobicContact CG2-CD1 4.37Å; M628-I642 HydrophobicContact CE-CD1 4.03Å; M628-I642 HydrophobicContact SD-CD1 4.17Å; Y640-I642 HydrophobicContact CD2-CD1 4.4Å; Y640-I642 HydrophobicContact CD2-CG1 3.93Å; Y640-I642 HydrophobicContact CE2-CD1 4Å; Y640-I642 HydrophobicContact CE2-CG1 3.96Å; I642-I654 HydrophobicContact CB-CG1 4.16Å; I642-I654 HydrophobicContact CG2-CD1 3.95Å; I642-I654 HydrophobicContact CG2-CG1 4Å; I642-I654 WeakPolarHBondContact O-CG1 3.39Å; I642-I654 PolarHBondContact O-N 2.77Å; I642-V655 HydrophobicContact CB-CB 4.15Å; I642-V655 HydrophobicContact CG1-CB 4.26Å; I642-V655 PolarHBondContact N-O 2.9Å; I642-V655 PolarHBondContact O-N 2.88Å; I642-L668 HydrophobicContact CD1-CD1 3.54Å; I642-I678 HydrophobicContact CG2-CG2 3.79Å; I642-R679 WeakPolarHBondContact CA-O 3.35Å; I642-I680 HydrophobicContact CG1-CG1 4.37Å; I642-I680 HydrophobicContact CG2-CG1 4.48Å
643	D	97.2	Very high	94	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149	173.7	-50.1	-45.4	0	0	0	110	W651 H652 R653 R679	D643-W651 HydrophobicContact CB-CB 4.39Å; D643-W651 HydrophobicContact CB-CE3 3.9Å; D643-H652 CarbonylContact C-O 3.55Å; D643-H652 VanDerWaalsContact CA-O 3.26Å; D643-H652 WeakPolarHBondContact CA-O 3.35Å; D643-R653 WeakPolarHBondContact OD1-CA 3.41Å; D643-R653 IonicContact OD1-CZ 2.73Å; D643-R653 IonicContact OD1-NE 3.78Å; D643-R653 PolarHBondContact OD1-NE 2.94Å; D643-R653 IonicContact OD1-NH2 3.32Å; D643-R653 PolarHBondContact OD1-NH2 2.83Å; D643-R653 IonicContact OD2-NH2 3.69Å; D643-R653 PolarHBondContact OD2-NH2 3.33Å; D643-R679 HydrophobicContact CB-CB 4.43Å; D643-R679 PolarHBondContact N-O 2.66Å; D643-R679 PolarHBondContact O-N 2.99Å; D643-R679 IonicContact OD2-CZ 3.69Å; D643-R679 IonicContact OD2-NE 3.18Å; D643-R679 PolarHBondContact OD2-NE 2.79Å; D643-R679 VanDerWaalsContact OD2-NE 3.11Å; D643-R679 IonicContact OD2-NH2 2.66Å; D643-R679 PolarHBondContact OD2-NH2 2.82Å
644	V	96.7	Very high	94.2	Very high	4 Å²	4	38 Å²	38	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153	179.8	-59.6	0	0	0	0	112	W651 H652 I654 I675 F677 I678	V644-W651 WeakPolarHBondContact O-CA 3.33Å; V644-H652 HydrophobicContact CG2-CB 4.44Å; V644-H652 PolarHBondContact N-O 3.45Å; V644-H652 PolarHBondContact O-N 3.2Å; V644-I654 HydrophobicContact CG1-CD1 3.51Å; V644-I654 HydrophobicContact CG1-CG1 3.92Å; V644-I654 HydrophobicContact CG2-CG2 3.8Å; V644-I675 HydrophobicContact CB-CD1 4.01Å; V644-I675 HydrophobicContact CB-CG1 4.02Å; V644-I675 HydrophobicContact CB-CG2 4.3Å; V644-I675 HydrophobicContact CG1-CD1 3.76Å; V644-I675 HydrophobicContact CG1-CG1 4.29Å; V644-I675 HydrophobicContact CG1-CG2 4.4Å; V644-I675 HydrophobicContact CG2-CD1 4.13Å; V644-I675 HydrophobicContact CG2-CG1 4.14Å; V644-F677 WeakPolarHBondContact CA-O 3.35Å; V644-I678 HydrophobicContact CG1-CG1 4.29Å; V644-I678 HydrophobicContact CG1-CG2 4.38Å
645	S	94.9	Very high	94.5	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.6	-174.3	179.6	0	0	0	0	112.2	D647 Q648 T650 H676 F677	S645-D647 PolarHBondContact OG-N 3.44Å; S645-D647 PolarHBondContact OG-OD1 2.94Å; S645-Q648 WeakPolarHBondContact OG-CA 3.46Å; S645-Q648 PolarHBondContact OG-N 3.22Å; S645-T650 WeakPolarHBondContact CA-O 3.1Å; S645-T650 WeakPolarHBondContact CB-O 3.38Å; S645-T650 PolarHBondContact OG-O 2.89Å; S645-H676 PolarHBondContact O-N 2.92Å; S645-F677 PolarHBondContact N-O 3.24Å; S645-F677 PolarHBondContact O-N 3.36Å
646	L	92.4	Very high	94.8	Very high	51 Å²	51	34.4 Å²	34.4	27%	0.267	18%	0.176	S	C	.	.	S	Bend	trans	-100.3	-22.4	171.6	-68.9	175.5	0	0	0	113.2	H367 P620 V674 H676 F677	H367-L646 HydrophobicContact CB-CD1 4.12Å; H367-L646 WeakPolarHBondContact CD2-CD1 3.28Å; H367-L646 VanDerWaalsContact CG-CD1 3.49Å; P620-L646 HydrophobicContact CB-CD2 4.49Å; L646-V674 HydrophobicContact CD2-CB 3.97Å; L646-V674 HydrophobicContact CD2-CG1 3.61Å; L646-V674 WeakPolarHBondContact CD2-O 3.43Å; L646-H676 HydrophobicContact CD2-CB 4.36Å; L646-H676 PolarHBondContact O-ND1 2.97Å; L646-F677 WeakPolarHBondContact O-CE2 3.48Å
647	D	90.1	Very high	94.9	Very high	81 Å²	81	34.3 Å²	34.3	43%	0.433	18%	0.176	S	C	.	.	S	Bend	trans	-135.2	-7.5	-163.3	69.5	-20	0	0	0	114.3	S645 S649 T650	S645-D647 PolarHBondContact OG-N 3.44Å; S645-D647 PolarHBondContact OG-OD1 2.94Å; D647-S649 PolarHBondContact O-N 2.9Å; D647-S649 PolarHBondContact OD1-N 2.86Å; D647-S649 VanDerWaalsContact OD2-CB 3.29Å; D647-S649 WeakPolarHBondContact OD2-CB 3.25Å; D647-S649 PolarHBondContact OD2-OG 3.35Å; D647-T650 PolarHBondContact OD1-N 2.96Å
648	Q	92.6	Very high	94.9	Very high	82 Å²	82	38 Å²	38	38%	0.383	19%	0.193	S	C	.	.	S	Bend	trans	67	0.7	-168.5	-54.8	176.9	100.8	0	0	116	S645 W651 F677	S645-Q648 WeakPolarHBondContact OG-CA 3.46Å; S645-Q648 PolarHBondContact OG-N 3.22Å; Q648-W651 HydrophobicContact CB-CZ2 4.11Å; Q648-W651 HydrophobicContact CG-CZ2 4.31Å; Q648-W651 PolarHBondContact O-NE1 3.06Å; Q648-F677 HydrophobicContact CG-CB 4.15Å; Q648-F677 HydrophobicContact CG-CD1 3.41Å; Q648-F677 VanDerWaalsContact CG-CD1 3.41Å; Q648-F677 HydrophobicContact CG-CD2 3.56Å; Q648-F677 HydrophobicContact CG-CE1 3.53Å; Q648-F677 HydrophobicContact CG-CE2 3.68Å; Q648-F677 HydrophobicContact CG-CG 3.42Å; Q648-F677 VanDerWaalsContact CG-CG 3.42Å; Q648-F677 HydrophobicContact CG-CZ 3.68Å
649	S	90.7	Very high	94.7	Very high	88 Å²	88	43.1 Å²	43.1	62%	0.615	22%	0.22	S	C	*	.	S	Bend	trans	-95.5	-48.5	174.3	96.2	0	0	0	0	111.1	D647	D647-S649 PolarHBondContact O-N 2.9Å; D647-S649 PolarHBondContact OD1-N 2.86Å; D647-S649 VanDerWaalsContact OD2-CB 3.29Å; D647-S649 WeakPolarHBondContact OD2-CB 3.25Å; D647-S649 PolarHBondContact OD2-OG 3.35Å
650	T	90.4	Very high	94.6	Very high	65 Å²	65	45 Å²	45	40%	0.399	23%	0.227	S	C	.	.	S	Bend	trans	-98.1	119.3	-177.5	-58	0	0	0	0	109.3	S645 D647	S645-T650 WeakPolarHBondContact CA-O 3.1Å; S645-T650 WeakPolarHBondContact CB-O 3.38Å; S645-T650 PolarHBondContact OG-O 2.89Å; D647-T650 PolarHBondContact OD1-N 2.96Å
651	W	93.9	Very high	94.5	Very high	58 Å²	58	46.9 Å²	46.9	22%	0.22	24%	0.236	C	C	.	.			trans	-118.9	131.4	-175.4	-69.3	90.8	0	0	0	111.5	I614 D643 V644 Q648 F677 R679	I614-W651 HydrophobicContact CG2-CH2 4.47Å; D643-W651 HydrophobicContact CB-CB 4.39Å; D643-W651 HydrophobicContact CB-CE3 3.9Å; V644-W651 WeakPolarHBondContact O-CA 3.33Å; Q648-W651 HydrophobicContact CB-CZ2 4.11Å; Q648-W651 HydrophobicContact CG-CZ2 4.31Å; Q648-W651 PolarHBondContact O-NE1 3.06Å; W651-F677 HydrophobicContact CH2-CB 3.9Å; W651-F677 HydrophobicContact CZ3-CB 4.35Å; W651-R679 VanDerWaalsContact CD2-NH1 3.27Å; W651-R679 VanDerWaalsContact CE2-NH1 3.26Å; W651-R679 HydrophobicContact CE3-CB 3.96Å; W651-R679 HydrophobicContact CH2-CB 3.81Å; W651-R679 HydrophobicContact CZ3-CB 3.41Å; W651-R679 VanDerWaalsContact CZ3-CB 3.41Å
652	H	92.8	Very high	94.4	Very high	43 Å²	43	46.6 Å²	46.6	20%	0.199	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.7	177.5	-54	-65.8	0	0	0	110.7	D643 V644 I654 R673	D643-H652 CarbonylContact C-O 3.55Å; D643-H652 VanDerWaalsContact CA-O 3.26Å; D643-H652 WeakPolarHBondContact CA-O 3.35Å; V644-H652 HydrophobicContact CG2-CB 4.44Å; V644-H652 PolarHBondContact N-O 3.45Å; V644-H652 PolarHBondContact O-N 3.2Å; H652-I654 PolarHBondContact O-N 3.09Å; H652-R673 VanDerWaalsContact CB-NH1 3.29Å; H652-R673 PolarHBondContact CD2-NH1 2.9Å; H652-R673 PolarHBondContact CD2-NH2 2.82Å; H652-R673 VanDerWaalsContact CD2-NH2 3.27Å; H652-R673 PolarHBondContact NE2-NH2 3.02Å
653	R	95	Very high	94.3	Very high	122 Å²	122	46.9 Å²	46.9	46%	0.46	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.3	171.3	-168.9	143.3	-60.4	157.3	8.2	110.4	D643 V655 D656	D643-R653 WeakPolarHBondContact OD1-CA 3.41Å; D643-R653 IonicContact OD1-CZ 2.73Å; D643-R653 IonicContact OD1-NE 3.78Å; D643-R653 PolarHBondContact OD1-NE 2.94Å; D643-R653 IonicContact OD1-NH2 3.32Å; D643-R653 PolarHBondContact OD1-NH2 2.83Å; D643-R653 IonicContact OD2-NH2 3.69Å; D643-R653 PolarHBondContact OD2-NH2 3.33Å; R653-V655 WeakPolarHBondContact CG-O 3.23Å; R653-D656 WeakPolarHBondContact CD-OD2 3.18Å; R653-D656 HydrophobicContact CG-CB 4.25Å; R653-D656 IonicContact CZ-OD2 2.71Å; R653-D656 IonicContact NE-OD2 3.16Å; R653-D656 IonicContact NH1-OD2 2.68Å; R653-D656 PolarHBondContact NH1-OD2 2.93Å
654	I	94.6	Very high	94.1	Very high	31 Å²	31	47.2 Å²	47.2	16%	0.159	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-21.1	171.1	53.5	161.4	0	0	0	112.6	I626 I642 V644 H652 F670	I626-I654 HydrophobicContact CD1-CD1 3.83Å; I642-I654 HydrophobicContact CB-CG1 4.16Å; I642-I654 HydrophobicContact CG2-CD1 3.95Å; I642-I654 HydrophobicContact CG2-CG1 4Å; I642-I654 WeakPolarHBondContact O-CG1 3.39Å; I642-I654 PolarHBondContact O-N 2.77Å; V644-I654 HydrophobicContact CG1-CD1 3.51Å; V644-I654 HydrophobicContact CG1-CG1 3.92Å; V644-I654 HydrophobicContact CG2-CG2 3.8Å; H652-I654 PolarHBondContact O-N 3.09Å; I654-F670 HydrophobicContact CB-CB 4.42Å; I654-F670 HydrophobicContact CB-CG 4.32Å; I654-F670 HydrophobicContact CD1-CD1 3.8Å; I654-F670 HydrophobicContact CD1-CD2 4.25Å; I654-F670 HydrophobicContact CD1-CE1 3.6Å; I654-F670 HydrophobicContact CD1-CE2 4.06Å; I654-F670 HydrophobicContact CD1-CG 4.12Å; I654-F670 HydrophobicContact CD1-CZ 3.71Å; I654-F670 HydrophobicContact CG2-CD2 4.4Å
655	V	96.1	Very high	94	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128	174.8	-179	0	0	0	0	109.2	Y640 T641 I642 R653 Y657 L668	Y640-V655 HydrophobicContact CE2-CG1 4.09Å; T641-V655 CarbonylContact C-O 3.48Å; T641-V655 WeakPolarHBondContact CA-O 3.34Å; I642-V655 HydrophobicContact CB-CB 4.15Å; I642-V655 HydrophobicContact CG1-CB 4.26Å; I642-V655 PolarHBondContact N-O 2.9Å; I642-V655 PolarHBondContact O-N 2.88Å; R653-V655 WeakPolarHBondContact CG-O 3.23Å; V655-Y657 HydrophobicContact CG1-CD1 3.82Å; V655-Y657 HydrophobicContact CG1-CD2 3.86Å; V655-Y657 HydrophobicContact CG1-CE1 3.94Å; V655-Y657 HydrophobicContact CG1-CE2 3.99Å; V655-Y657 HydrophobicContact CG1-CG 3.76Å; V655-L668 HydrophobicContact CG1-CD2 4.49Å; V655-L668 HydrophobicContact CG2-CB 4.27Å; V655-L668 HydrophobicContact CG2-CD1 4.23Å
656	D	96.1	Very high	94	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	85.4	172.8	-156.8	-45.2	0	0	0	111.2	R653 Q658	R653-D656 WeakPolarHBondContact CD-OD2 3.18Å; R653-D656 HydrophobicContact CG-CB 4.25Å; R653-D656 IonicContact CZ-OD2 2.71Å; R653-D656 IonicContact NE-OD2 3.16Å; R653-D656 IonicContact NH1-OD2 2.68Å; R653-D656 PolarHBondContact NH1-OD2 2.93Å; D656-Q658 VanDerWaalsContact CG-NE2 3.26Å; D656-Q658 WeakPolarHBondContact OD1-CB 3.27Å; D656-Q658 WeakPolarHBondContact OD1-CG 3.39Å; D656-Q658 PolarHBondContact OD1-N 2.9Å; D656-Q658 PolarHBondContact OD1-NE2 3.11Å; D656-Q658 PolarHBondContact OD2-NE2 3.11Å
657	Y	96.6	Very high	94	Very high	8 Å²	8	47.1 Å²	47.1	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	30.8	175.9	-68.5	-7.3	0	0	0	111.5	S639 Y640 V655 N659 Y660 L668 F711 Q768 P769	S639-Y657 WeakPolarHBondContact CB-O 3.49Å; Y640-Y657 HydrophobicContact CE1-CD2 4.16Å; Y640-Y657 HydrophobicContact CE2-CD2 4.25Å; Y640-Y657 AromaticContact CZ-CD2 3.68Å; Y640-Y657 PolarHBondContact N-O 3.17Å; Y640-Y657 CarbonylContact O-C 3.56Å; Y640-Y657 VanDerWaalsContact O-CA 3.26Å; Y640-Y657 WeakPolarHBondContact O-CA 3.18Å; Y640-Y657 PolarHBondContact O-N 3.09Å; Y640-Y657 WeakPolarHBondContact OH-CD2 3.49Å; V655-Y657 HydrophobicContact CG1-CD1 3.82Å; V655-Y657 HydrophobicContact CG1-CD2 3.86Å; V655-Y657 HydrophobicContact CG1-CE1 3.94Å; V655-Y657 HydrophobicContact CG1-CE2 3.99Å; V655-Y657 HydrophobicContact CG1-CG 3.76Å; Y657-N659 PolarHBondContact O-N 3.42Å; Y657-N659 VanDerWaalsContact O-N 3.11Å; Y657-Y660 HydrophobicContact CD1-CD2 4.44Å; Y657-Y660 PolarHBondContact O-N 3.28Å; Y657-L668 HydrophobicContact CE2-CD2 3.65Å; Y657-F711 AromaticContact CD1-CE1 3.86Å; Y657-F711 HydrophobicContact CD1-CE1 3.86Å; Y657-F711 AromaticContact CE1-CD1 3.72Å; Y657-F711 HydrophobicContact CE1-CD1 3.72Å; Y657-F711 AromaticContact CE1-CE1 3.46Å; Y657-F711 HydrophobicContact CE1-CE1 3.46Å; Y657-F711 VanDerWaalsContact CE1-CE1 3.46Å; Y657-F711 HydrophobicContact CE1-CZ 4.36Å; Y657-Q768 HydrophobicContact CE2-CB 4Å; Y657-P769 HydrophobicContact CD1-CG 4.11Å; Y657-P769 HydrophobicContact CD2-CG 4.39Å; Y657-P769 HydrophobicContact CE1-CG 3.9Å; Y657-P769 HydrophobicContact CE2-CG 4.19Å; Y657-P769 HydrophobicContact CG-CG 4.37Å
658	Q	94.9	Very high	94.2	Very high	79 Å²	79	43.5 Å²	43.5	37%	0.369	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-20.2	-174.1	76.7	-174.6	-84.3	0	0	114.6	S639 Y640 T641 D656 T683	S639-Q658 VanDerWaalsContact CB-O 3.26Å; S639-Q658 WeakPolarHBondContact CB-O 3.48Å; Y640-Q658 PolarHBondContact O-N 2.86Å; T641-Q658 HydrophobicContact CG2-CB 4.05Å; D656-Q658 VanDerWaalsContact CG-NE2 3.26Å; D656-Q658 WeakPolarHBondContact OD1-CB 3.27Å; D656-Q658 WeakPolarHBondContact OD1-CG 3.39Å; D656-Q658 PolarHBondContact OD1-N 2.9Å; D656-Q658 PolarHBondContact OD1-NE2 3.11Å; D656-Q658 PolarHBondContact OD2-NE2 3.11Å; Q658-T683 WeakPolarHBondContact CA-OG1 3.25Å; Q658-T683 HydrophobicContact CB-CG2 4.16Å; Q658-T683 PolarHBondContact O-OG1 3.26Å
659	N	93.4	Very high	94.3	Very high	107 Å²	107	41.5 Å²	41.5	57%	0.572	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111	3.6	-178	-69.4	-45.2	0	0	0	114.1	Y657	Y657-N659 PolarHBondContact O-N 3.42Å; Y657-N659 VanDerWaalsContact O-N 3.11Å
660	Y	95.1	Very high	94.4	Very high	41 Å²	41	37.9 Å²	37.9	16%	0.161	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148	-170.5	-61.5	-91.7	0	0	0	112.4	S639 Y657 C662 F711 P769 L823	S639-Y660 WeakPolarHBondContact CB-O 3.34Å; S639-Y660 PolarHBondContact OG-O 2.91Å; Y657-Y660 HydrophobicContact CD1-CD2 4.44Å; Y657-Y660 PolarHBondContact O-N 3.28Å; Y660-C662 PolarHBondContact O-N 2.78Å; Y660-F711 HydrophobicContact CD2-CE1 4.49Å; Y660-F711 HydrophobicContact CE1-CE1 4.24Å; Y660-F711 HydrophobicContact CE1-CZ 4.35Å; Y660-F711 AromaticContact CE2-CE1 3.99Å; Y660-F711 HydrophobicContact CE2-CE1 3.99Å; Y660-F711 AromaticContact CE2-CZ 3.7Å; Y660-F711 HydrophobicContact CE2-CZ 3.7Å; Y660-F711 AromaticContact CZ-CE1 3.85Å; Y660-F711 AromaticContact CZ-CZ 3.56Å; Y660-F711 WeakPolarHBondContact OH-CZ 3.47Å; Y660-P769 HydrophobicContact CD1-CB 3.77Å; Y660-P769 HydrophobicContact CD1-CG 3.79Å; Y660-P769 HydrophobicContact CE1-CB 4.2Å; Y660-P769 HydrophobicContact CE1-CG 4.41Å; Y660-P769 HydrophobicContact CG-CB 4.36Å; Y660-P769 HydrophobicContact CG-CG 3.86Å; Y660-L823 HydrophobicContact CE1-CD1 4.18Å
661	M	94.7	Very high	94.4	Very high	41 Å²	41	39.3 Å²	39.3	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	84.4	-176.5	-68.7	-174	63.9	0	0	112.1	T686 Q765 F826	M661-T686 HydrophobicContact CE-CG2 4.15Å; M661-Q765 PolarHBondContact O-NE2 2.76Å; M661-F826 HydrophobicContact CB-CE2 4.25Å; M661-F826 HydrophobicContact CB-CZ 3.83Å; M661-F826 HydrophobicContact CE-CZ 4.17Å; M661-F826 HydrophobicContact CG-CZ 4.39Å; M661-F826 HydrophobicContact SD-CE2 4.24Å; M661-F826 HydrophobicContact SD-CZ 3.84Å
662	C	96.9	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	152.9	-175.3	-52.5	0	0	0	0	112.5	L630 S637 Y638 Y640 Y660 A767	L630-C662 HydrophobicContact CD1-CB 3.99Å; S637-C662 CarbonylContact C-O 3.49Å; S637-C662 WeakPolarHBondContact CA-O 3.36Å; Y638-C662 PolarHBondContact N-O 2.71Å; Y638-C662 WeakPolarHBondContact O-CB 3.48Å; Y638-C662 PolarHBondContact O-N 2.92Å; Y640-C662 HydrophobicContact CE1-CB 3.83Å; Y660-C662 PolarHBondContact O-N 2.78Å; C662-A767 CarbonylContact C-O 3.59Å; C662-A767 VanDerWaalsContact CA-O 3.27Å; C662-A767 WeakPolarHBondContact CA-O 3.21Å
663	R	95.3	Very high	94.3	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.019	21%	0.205	C	C	.	.			trans	-158.9	162.9	-179.8	63.1	179.2	-66	142.6	11	112.9	D634 L635 Q666 A767	D634-R663 PolarHBondContact O-NH2 2.8Å; L635-R663 PolarHBondContact O-NH1 2.86Å; R663-Q666 PolarHBondContact O-NE2 2.9Å; R663-A767 PolarHBondContact N-O 3.35Å; R663-A767 WeakPolarHBondContact O-CA 3.43Å; R663-A767 WeakPolarHBondContact O-CB 3.44Å
664	S	94.2	Very high	94.3	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.084	19%	0.189	C	C	.	.	S	Bend	trans	51.7	-143.9	177.3	-165.5	0	0	0	0	112.5	L630 D632 Q666	L630-S664 PolarHBondContact N-O 3.28Å; D632-S664 WeakPolarHBondContact OD2-CA 3.1Å; D632-S664 VanDerWaalsContact OD2-CB 3.26Å; D632-S664 WeakPolarHBondContact OD2-CB 3.39Å; D632-S664 PolarHBondContact OD2-OG 2.74Å; S664-Q666 PolarHBondContact O-N 2.85Å
665	W	93.5	Very high	94.3	Very high	27 Å²	27	35 Å²	35	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	107.5	-177.7	-76.1	96.6	0	0	0	113.3	R627 Q629 T695 A767	R627-W665 HydrophobicContact CG-CE3 3.78Å; R627-W665 HydrophobicContact CG-CZ3 3.9Å; R627-W665 VanDerWaalsContact CZ-CE3 3.42Å; Q629-W665 HydrophobicContact CB-CD2 3.92Å; Q629-W665 HydrophobicContact CB-CE3 4.04Å; Q629-W665 HydrophobicContact CB-CG 4.47Å; Q629-W665 HydrophobicContact CB-CH2 4.28Å; Q629-W665 HydrophobicContact CB-CZ2 4.11Å; Q629-W665 HydrophobicContact CB-CZ3 4.22Å; Q629-W665 VanDerWaalsContact CD-NE1 3.34Å; Q629-W665 HydrophobicContact CG-CD2 4.06Å; Q629-W665 HydrophobicContact CG-CG 4.2Å; Q629-W665 HydrophobicContact CG-CZ2 4.38Å; Q629-W665 VanDerWaalsContact OE1-CZ2 3.29Å; W665-T695 HydrophobicContact CH2-CG2 3.39Å; W665-T695 HydrophobicContact CZ2-CG2 4.05Å; W665-T695 HydrophobicContact CZ3-CG2 3.89Å; W665-A767 WeakPolarHBondContact O-CB 3.37Å
666	Q	94.9	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.2	165.5	-50.2	-62.3	-83.2	0	0	108.9	R627 M628 L630 Y640 R663 S664 L668 A767	R627-Q666 WeakPolarHBondContact CA-O 3.37Å; R627-Q666 WeakPolarHBondContact CG-O 3.26Å; M628-Q666 HydrophobicContact CE-CB 4.24Å; M628-Q666 HydrophobicContact CE-CG 3.98Å; M628-Q666 HydrophobicContact CG-CB 3.88Å; M628-Q666 HydrophobicContact CG-CG 4.19Å; M628-Q666 PolarHBondContact N-O 3Å; M628-Q666 PolarHBondContact O-N 2.69Å; L630-Q666 HydrophobicContact CD1-CG 3.64Å; L630-Q666 HydrophobicContact CG-CG 3.89Å; Y640-Q666 HydrophobicContact CE1-CG 4.31Å; Y640-Q666 WeakPolarHBondContact OH-CG 3.46Å; Y640-Q666 PolarHBondContact OH-OE1 2.9Å; R663-Q666 PolarHBondContact O-NE2 2.9Å; S664-Q666 PolarHBondContact O-N 2.85Å; Q666-L668 HydrophobicContact CB-CD1 4.19Å; Q666-L668 HydrophobicContact CB-CD2 4.4Å; Q666-L668 HydrophobicContact CB-CG 4.16Å; Q666-A767 PolarHBondContact NE2-O 3.35Å
667	T	93.1	Very high	94.4	Very high	31 Å²	31	33.3 Å²	33.3	19%	0.19	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.7	170.9	-49.4	0	0	0	0	107.9	R627 Y669 Q768	R627-T667 HydrophobicContact CG-CG2 4.37Å; T667-Y669 HydrophobicContact CG2-CE2 3.73Å; T667-Q768 PolarHBondContact O-NE2 3.2Å; T667-Q768 PolarHBondContact O-OE1 2.72Å
668	L	94.7	Very high	94.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	111.1	-160.7	-55.4	171.5	0	0	0	108.2	T625 I626 M628 Y640 I642 V655 Y657 Q666	T625-L668 WeakPolarHBondContact CA-O 3.09Å; I626-L668 HydrophobicContact CB-CB 4.47Å; I626-L668 HydrophobicContact CG2-CD1 4.43Å; I626-L668 PolarHBondContact N-O 3.04Å; I626-L668 PolarHBondContact O-N 2.8Å; M628-L668 HydrophobicContact CE-CD1 4.16Å; Y640-L668 HydrophobicContact CE2-CD1 4.14Å; I642-L668 HydrophobicContact CD1-CD1 3.54Å; V655-L668 HydrophobicContact CG1-CD2 4.49Å; V655-L668 HydrophobicContact CG2-CB 4.27Å; V655-L668 HydrophobicContact CG2-CD1 4.23Å; Y657-L668 HydrophobicContact CE2-CD2 3.65Å; Q666-L668 HydrophobicContact CB-CD1 4.19Å; Q666-L668 HydrophobicContact CB-CD2 4.4Å; Q666-L668 HydrophobicContact CB-CG 4.16Å
669	Y	93.8	Very high	94.6	Very high	41 Å²	41	31.7 Å²	31.7	16%	0.161	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.1	176.2	-62.6	-83.8	0	0	0	109.6	N624 T625 T667 F705 Q707 M712	N624-Y669 WeakPolarHBondContact O-CA 3.45Å; T625-Y669 HydrophobicContact CG2-CD1 3.9Å; T625-Y669 HydrophobicContact CG2-CE1 3.58Å; T625-Y669 WeakPolarHBondContact OG1-CD1 3.41Å; T625-Y669 WeakPolarHBondContact OG1-CE1 3.31Å; T667-Y669 HydrophobicContact CG2-CE2 3.73Å; Y669-F705 AromaticContact CD1-CD2 3.91Å; Y669-F705 HydrophobicContact CD1-CD2 3.91Å; Y669-F705 HydrophobicContact CD1-CE2 4.33Å; Y669-F705 AromaticContact CD2-CD2 3.74Å; Y669-F705 HydrophobicContact CD2-CD2 3.74Å; Y669-F705 HydrophobicContact CD2-CE2 4.23Å; Y669-F705 HydrophobicContact CD2-CG 4.38Å; Y669-F705 AromaticContact CE1-CD2 3.81Å; Y669-F705 HydrophobicContact CE1-CD2 3.81Å; Y669-F705 AromaticContact CE1-CE2 3.75Å; Y669-F705 HydrophobicContact CE1-CE2 3.75Å; Y669-F705 AromaticContact CE2-CD2 3.63Å; Y669-F705 HydrophobicContact CE2-CD2 3.63Å; Y669-F705 AromaticContact CE2-CE2 3.63Å; Y669-F705 HydrophobicContact CE2-CE2 3.63Å; Y669-F705 HydrophobicContact CE2-CG 4.46Å; Y669-F705 HydrophobicContact CE2-CZ 4.46Å; Y669-F705 AromaticContact CG-CD2 3.87Å; Y669-F705 HydrophobicContact CG-CD2 3.87Å; Y669-F705 AromaticContact CZ-CD2 3.68Å; Y669-F705 AromaticContact CZ-CE2 3.36Å; Y669-Q707 PolarHBondContact O-NE2 2.84Å; Y669-Q707 PolarHBondContact O-OE1 2.81Å; Y669-M712 HydrophobicContact CD2-SD 3.53Å; Y669-M712 VanDerWaalsContact CD2-SD 3.53Å; Y669-M712 HydrophobicContact CE2-SD 3.84Å
670	F	92.9	Very high	94.8	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.048	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	164.7	178.1	46.8	-88	0	0	0	109.3	V623 N624 I626 I654 I675	V623-F670 HydrophobicContact CG1-CE2 4.1Å; V623-F670 HydrophobicContact CG1-CZ 3.71Å; N624-F670 WeakPolarHBondContact CB-O 3.22Å; N624-F670 PolarHBondContact O-N 2.78Å; I626-F670 HydrophobicContact CB-CE1 4.16Å; I626-F670 HydrophobicContact CD1-CE1 3.86Å; I626-F670 HydrophobicContact CD1-CZ 4Å; I626-F670 HydrophobicContact CG1-CE1 3.8Å; I626-F670 HydrophobicContact CG1-CZ 4.01Å; I654-F670 HydrophobicContact CB-CB 4.42Å; I654-F670 HydrophobicContact CB-CG 4.32Å; I654-F670 HydrophobicContact CD1-CD1 3.8Å; I654-F670 HydrophobicContact CD1-CD2 4.25Å; I654-F670 HydrophobicContact CD1-CE1 3.6Å; I654-F670 HydrophobicContact CD1-CE2 4.06Å; I654-F670 HydrophobicContact CD1-CG 4.12Å; I654-F670 HydrophobicContact CD1-CZ 3.71Å; I654-F670 HydrophobicContact CG2-CD2 4.4Å; F670-I675 HydrophobicContact CE2-CD1 3.71Å; F670-I675 HydrophobicContact CZ-CD1 4.02Å
671	P	90.5	Very high	95	Very high	96 Å²	96	26 Å²	26	62%	0.623	14%	0.135	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	140	175.4	-26.3	35.8	0	0	0	112.3	R673	P671-R673 PolarHBondContact O-N 2.89Å
672	S	92	Very high	95.1	Very high	60 Å²	60	24.3 Å²	24.3	42%	0.42	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	121.4	-178.1	-54.2	0	0	0	0	111.9	Y700	S672-Y700 WeakPolarHBondContact OG-CE2 3.22Å
673	R	92.3	Very high	95.1	Very high	82 Å²	82	27.3 Å²	27.3	31%	0.309	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159	178.1	-65.9	-178.2	79.6	-154.9	5	110.9	T363 V623 H652 P671	T363-R673 PolarHBondContact O-NH2 2.95Å; V623-R673 PolarHBondContact N-O 2.97Å; V623-R673 PolarHBondContact O-N 3.32Å; H652-R673 VanDerWaalsContact CB-NH1 3.29Å; H652-R673 PolarHBondContact CD2-NH1 2.9Å; H652-R673 PolarHBondContact CD2-NH2 2.82Å; H652-R673 VanDerWaalsContact CD2-NH2 3.27Å; H652-R673 PolarHBondContact NE2-NH2 3.02Å; P671-R673 PolarHBondContact O-N 2.89Å
674	V	94.6	Very high	95.1	Very high	21 Å²	21	32.8 Å²	32.8	13%	0.127	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.6	168	-171	0	0	0	0	109.4	H367 P620 S621 I622 L646	H367-V674 HydrophobicContact CB-CB 4.16Å; H367-V674 HydrophobicContact CB-CG2 3.93Å; H367-V674 WeakPolarHBondContact O-CG2 3.16Å; P620-V674 HydrophobicContact CB-CG1 3.7Å; S621-V674 CarbonylContact O-C 3.56Å; S621-V674 WeakPolarHBondContact O-CA 3.11Å; I622-V674 HydrophobicContact CG1-CG2 3.88Å; L646-V674 HydrophobicContact CD2-CB 3.97Å; L646-V674 HydrophobicContact CD2-CG1 3.61Å; L646-V674 WeakPolarHBondContact CD2-O 3.43Å
675	I	95.1	Very high	95.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.1	-179.7	-67.5	174.4	0	0	0	108.9	L617 P620 S621 V623 V644 F670 I678	L617-I675 HydrophobicContact CD1-CG2 4.29Å; P620-I675 WeakPolarHBondContact CA-O 3.38Å; S621-I675 PolarHBondContact N-O 3.45Å; S621-I675 PolarHBondContact O-N 2.8Å; V623-I675 HydrophobicContact CB-CD1 4.09Å; V623-I675 HydrophobicContact CG1-CD1 4.1Å; V644-I675 HydrophobicContact CB-CD1 4.01Å; V644-I675 HydrophobicContact CB-CG1 4.02Å; V644-I675 HydrophobicContact CB-CG2 4.3Å; V644-I675 HydrophobicContact CG1-CD1 3.76Å; V644-I675 HydrophobicContact CG1-CG1 4.29Å; V644-I675 HydrophobicContact CG1-CG2 4.4Å; V644-I675 HydrophobicContact CG2-CD1 4.13Å; V644-I675 HydrophobicContact CG2-CG1 4.14Å; F670-I675 HydrophobicContact CE2-CD1 3.71Å; F670-I675 HydrophobicContact CZ-CD1 4.02Å; I675-I678 HydrophobicContact CG2-CD1 4.03Å; I675-I678 HydrophobicContact CG2-CG1 3.53Å
676	H	95.8	Very high	95.3	Very high	24 Å²	24	35.3 Å²	35.3	11%	0.111	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-35.7	171.9	-171.8	-174.2	0	0	0	110.6	R616 L617 P620 S645 L646	R616-H676 WeakPolarHBondContact CA-O 3.46Å; R616-H676 PolarHBondContact NE-NE2 3.41Å; R616-H676 VanDerWaalsContact NE-NE2 3.11Å; R616-H676 PolarHBondContact NH2-NE2 3.29Å; L617-H676 PolarHBondContact N-O 2.81Å; L617-H676 PolarHBondContact O-CD2 3.11Å; L617-H676 VanDerWaalsContact O-CD2 3.22Å; P620-H676 HydrophobicContact CB-CB 4.43Å; P620-H676 HydrophobicContact CG-CB 4.36Å; S645-H676 PolarHBondContact O-N 2.92Å; L646-H676 HydrophobicContact CD2-CB 4.36Å; L646-H676 PolarHBondContact O-ND1 2.97Å
677	F	97.7	Very high	95.2	Very high	8 Å²	8	42 Å²	42	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	179.5	-55	-88.2	0	0	0	111.2	I387 I615 R616 V644 S645 L646 Q648 W651	I387-F677 HydrophobicContact CD1-CD1 4.04Å; I387-F677 HydrophobicContact CD1-CE1 3.81Å; I615-F677 CarbonylContact O-C 3.57Å; I615-F677 WeakPolarHBondContact O-CA 3.22Å; R616-F677 HydrophobicContact CB-CD1 3.82Å; R616-F677 HydrophobicContact CB-CE1 3.88Å; R616-F677 HydrophobicContact CG-CD1 3.95Å; R616-F677 HydrophobicContact CG-CE1 3.61Å; R616-F677 HydrophobicContact CG-CZ 4.31Å; V644-F677 WeakPolarHBondContact CA-O 3.35Å; S645-F677 PolarHBondContact N-O 3.24Å; S645-F677 PolarHBondContact O-N 3.36Å; L646-F677 WeakPolarHBondContact O-CE2 3.48Å; Q648-F677 HydrophobicContact CG-CB 4.15Å; Q648-F677 HydrophobicContact CG-CD1 3.41Å; Q648-F677 VanDerWaalsContact CG-CD1 3.41Å; Q648-F677 HydrophobicContact CG-CD2 3.56Å; Q648-F677 HydrophobicContact CG-CE1 3.53Å; Q648-F677 HydrophobicContact CG-CE2 3.68Å; Q648-F677 HydrophobicContact CG-CG 3.42Å; Q648-F677 VanDerWaalsContact CG-CG 3.42Å; Q648-F677 HydrophobicContact CG-CZ 3.68Å; W651-F677 HydrophobicContact CH2-CB 3.9Å; W651-F677 HydrophobicContact CZ3-CB 4.35Å
678	I	98.1	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.2	-179.9	-54.7	173.9	0	0	0	107.6	I614 I615 I626 I642 V644 I675 I680 F696 C698	I614-I678 CarbonylContact C-O 3.58Å; I614-I678 WeakPolarHBondContact CA-O 3.26Å; I615-I678 PolarHBondContact N-O 3.43Å; I615-I678 PolarHBondContact O-N 3.33Å; I626-I678 HydrophobicContact CD1-CD1 4.26Å; I626-I678 HydrophobicContact CD1-CG2 4.15Å; I642-I678 HydrophobicContact CG2-CG2 3.79Å; V644-I678 HydrophobicContact CG1-CG1 4.29Å; V644-I678 HydrophobicContact CG1-CG2 4.38Å; I675-I678 HydrophobicContact CG2-CD1 4.03Å; I675-I678 HydrophobicContact CG2-CG1 3.53Å; I678-I680 HydrophobicContact CG2-CG1 4.4Å; I678-F696 HydrophobicContact CD1-CE1 4.11Å; I678-F696 HydrophobicContact CD1-CZ 3.8Å; I678-F696 HydrophobicContact CG2-CZ 4.16Å; I678-C698 HydrophobicContact CD1-CB 4.25Å; I678-C698 VanDerWaalsContact CD1-SG 3.55Å
679	R	98	Very high	95.3	Very high	53 Å²	53	50.4 Å²	50.4	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.9	175.3	177.3	174.6	66.1	-142.5	1.4	109.4	N612 I613 I614 I642 D643 W651	N612-R679 HydrophobicContact CB-CG 4.03Å; I613-R679 CarbonylContact O-C 3.57Å; I613-R679 WeakPolarHBondContact O-CA 3.5Å; I614-R679 HydrophobicContact CG1-CB 4.22Å; I614-R679 HydrophobicContact CG1-CG 4.22Å; I642-R679 WeakPolarHBondContact CA-O 3.35Å; D643-R679 HydrophobicContact CB-CB 4.43Å; D643-R679 PolarHBondContact N-O 2.66Å; D643-R679 PolarHBondContact O-N 2.99Å; D643-R679 IonicContact OD2-CZ 3.69Å; D643-R679 IonicContact OD2-NE 3.18Å; D643-R679 PolarHBondContact OD2-NE 2.79Å; D643-R679 VanDerWaalsContact OD2-NE 3.11Å; D643-R679 IonicContact OD2-NH2 2.66Å; D643-R679 PolarHBondContact OD2-NH2 2.82Å; W651-R679 VanDerWaalsContact CD2-NH1 3.27Å; W651-R679 VanDerWaalsContact CE2-NH1 3.26Å; W651-R679 HydrophobicContact CE3-CB 3.96Å; W651-R679 HydrophobicContact CH2-CB 3.81Å; W651-R679 HydrophobicContact CZ3-CB 3.41Å; W651-R679 VanDerWaalsContact CZ3-CB 3.41Å
680	I	98.1	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.6	174	-54.2	165.5	0	0	0	107.1	I613 I615 M628 I642 I678 F691 L693 F696	I613-I680 HydrophobicContact CB-CB 4.3Å; I613-I680 HydrophobicContact CG2-CD1 4.41Å; I613-I680 PolarHBondContact N-O 2.87Å; I613-I680 PolarHBondContact O-N 3.37Å; I615-I680 HydrophobicContact CD1-CD1 4.43Å; M628-I680 HydrophobicContact SD-CD1 4.1Å; I642-I680 HydrophobicContact CG1-CG1 4.37Å; I642-I680 HydrophobicContact CG2-CG1 4.48Å; I678-I680 HydrophobicContact CG2-CG1 4.4Å; I680-F691 HydrophobicContact CG2-CE1 3.84Å; I680-F691 HydrophobicContact CG2-CZ 3.99Å; I680-L693 HydrophobicContact CD1-CD2 3.59Å; I680-F696 HydrophobicContact CD1-CD2 3.73Å; I680-F696 HydrophobicContact CD1-CE2 3.64Å
681	T	97.7	Very high	95.6	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	108.4	179.6	-52.3	0	0	0	0	109	N612 Y640 T641	N612-T681 HydrophobicContact CB-CG2 4.36Å; Y640-T681 CarbonylContact C-O 3.59Å; Y640-T681 WeakPolarHBondContact CA-O 3.26Å; Y640-T681 WeakPolarHBondContact CB-O 3.28Å; T641-T681 PolarHBondContact N-O 3.3Å; T641-T681 PolarHBondContact O-N 3.44Å
682	G	97.3	Very high	95.8	Very high	7 Å²	7	44.7 Å²	44.7	7%	0.072	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.9	167.8	0	0	0	0	0	111	H604 L606 F691	H604-G682 PolarHBondContact CE1-N 2.76Å; H604-G682 PolarHBondContact NE2-N 2.64Å; L606-G682 VanDerWaalsContact CD2-C 3.49Å; L606-G682 WeakPolarHBondContact CD2-O 3.43Å; G682-F691 VanDerWaalsContact CA-CD2 3.44Å
683	T	96.4	Very high	96	Very high	63 Å²	63	41.8 Å²	41.8	39%	0.387	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-20.4	178.4	58.3	0	0	0	0	112.4	S639 Q658	S639-T683 WeakPolarHBondContact CB-OG1 3.35Å; S639-T683 PolarHBondContact O-N 3.27Å; S639-T683 PolarHBondContact O-OG1 2.89Å; Q658-T683 WeakPolarHBondContact CA-OG1 3.25Å; Q658-T683 HydrophobicContact CB-CG2 4.16Å; Q658-T683 PolarHBondContact O-OG1 3.26Å
684	R	96.2	Very high	96.1	Very high	120 Å²	120	38 Å²	38	45%	0.453	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.5	176.8	-159.6	-179.9	-62.6	-164.7	4	111.4	Y638 S639	Y638-R684 VanDerWaalsContact CA-O 3.24Å; Y638-R684 WeakPolarHBondContact CA-O 3.45Å; S639-R684 PolarHBondContact N-O 2.85Å; S639-R684 PolarHBondContact O-N 3.21Å
685	N	96	Very high	96	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.08	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.5	158.7	169.1	-3.8	0	0	0	106	L606 S637 Y638 F687 N688 T690	L606-N685 HydrophobicContact CD1-CB 3.8Å; S637-N685 WeakPolarHBondContact O-CA 3.41Å; Y638-N685 HydrophobicContact CD1-CB 3.65Å; Y638-N685 HydrophobicContact CE1-CB 3.55Å; Y638-N685 VanDerWaalsContact CE1-CG 3.45Å; Y638-N685 WeakPolarHBondContact CE1-ND2 3.36Å; N685-F687 VanDerWaalsContact C-N 3.3Å; N685-F687 PolarHBondContact O-N 2.82Å; N685-F687 PolarHBondContact OD1-N 3.01Å; N685-N688 VanDerWaalsContact CB-O 3.28Å; N685-N688 WeakPolarHBondContact CB-O 3.23Å; N685-N688 PolarHBondContact ND2-O 2.95Å; N685-N688 PolarHBondContact ND2-OD1 3.17Å; N685-T690 PolarHBondContact ND2-O 2.78Å
686	T	94.9	Very high	96	Very high	77 Å²	77	37.2 Å²	37.2	47%	0.472	18%	0.175	S	C	.	.	S	Bend	trans	-79.2	-6.6	-177.5	60.6	0	0	0	0	114.8	R636 S637 M661	R636-T686 WeakPolarHBondContact CA-OG1 3Å; S637-T686 PolarHBondContact N-OG1 3.29Å; S637-T686 PolarHBondContact O-N 3.4Å; M661-T686 HydrophobicContact CE-CG2 4.15Å
687	F	93.8	Very high	95.9	Very high	141 Å²	141	37.3 Å²	37.3	62%	0.618	17%	0.174	S	C	*	.	S	Bend	trans	-112.8	-45.8	-174.4	-173.1	-98.9	0	0	0	113.5	R636 N685	R636-F687 HydrophobicContact CB-CB 3.77Å; N685-F687 VanDerWaalsContact C-N 3.3Å; N685-F687 PolarHBondContact O-N 2.82Å; N685-F687 PolarHBondContact OD1-N 3.01Å
688	N	93.6	Very high	95.8	Very high	43 Å²	43	36.9 Å²	36.9	23%	0.23	17%	0.173	C	C	.	.	S	Bend	trans	-145.5	-176.6	177.6	70.5	29.5	0	0	0	111.7	E598 N685 T690	E598-N688 PolarHBondContact OE1-ND2 2.89Å; N685-N688 VanDerWaalsContact CB-O 3.28Å; N685-N688 WeakPolarHBondContact CB-O 3.23Å; N685-N688 PolarHBondContact ND2-O 2.95Å; N685-N688 PolarHBondContact ND2-OD1 3.17Å; N688-T690 PolarHBondContact O-N 2.88Å; N688-T690 PolarHBondContact OD1-N 2.84Å; N688-T690 PolarHBondContact OD1-O 3.41Å
689	R	95.4	Very high	95.6	Very high	168 Å²	168	38.2 Å²	38.2	63%	0.634	18%	0.178	S	C	*	.	S	Bend	trans	-97.6	39.1	-174.4	-62.7	-162.4	173.1	-149.9	-4.4	114	L606 N607	L606-R689 HydrophobicContact CB-CB 4.47Å; L606-R689 WeakPolarHBondContact CB-O 3.34Å; L606-R689 PolarHBondContact N-O 2.97Å; N607-R689 WeakPolarHBondContact OD1-CD 3.39Å; N607-R689 PolarHBondContact OD1-NH1 2.85Å
690	T	95.8	Very high	95.4	Very high	27 Å²	27	38.2 Å²	38.2	17%	0.166	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.9	178.8	-52.6	0	0	0	0	109.7	R603 H604 N685 N688 H692	R603-T690 HydrophobicContact CB-CG2 4.02Å; R603-T690 HydrophobicContact CG-CG2 4.35Å; H604-T690 CarbonylContact O-C 3.57Å; H604-T690 WeakPolarHBondContact O-CA 3.45Å; H604-T690 WeakPolarHBondContact O-CG2 3.27Å; N685-T690 PolarHBondContact ND2-O 2.78Å; N688-T690 PolarHBondContact O-N 2.88Å; N688-T690 PolarHBondContact OD1-N 2.84Å; N688-T690 PolarHBondContact OD1-O 3.41Å; T690-H692 VanDerWaalsContact CG2-NE2 3.32Å; T690-H692 WeakPolarHBondContact CG2-NE2 3.37Å; T690-H692 PolarHBondContact O-CE1 2.77Å; T690-H692 PolarHBondContact O-ND1 2.84Å
691	F	97.2	Very high	95.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.3	170.8	-177.7	-95.8	0	0	0	109.7	R603 H604 L606 I613 L630 Y638 Y640 I680 G682 L693	R603-F691 CarbonylContact C-O 3.32Å; R603-F691 WeakPolarHBondContact CA-O 3.42Å; R603-F691 WeakPolarHBondContact CB-O 3.31Å; H604-F691 AromaticContact CD2-CD1 3.88Å; H604-F691 PolarHBondContact N-O 3.36Å; H604-F691 VanDerWaalsContact N-O 3.08Å; H604-F691 AromaticContact NE2-CD1 3.88Å; H604-F691 AromaticContact NE2-CG 3.87Å; H604-F691 PolarHBondContact O-N 3.09Å; L606-F691 HydrophobicContact CD2-CB 4.11Å; I613-F691 HydrophobicContact CD1-CD1 3.99Å; I613-F691 HydrophobicContact CD1-CE1 4.2Å; L630-F691 HydrophobicContact CD2-CE1 4.41Å; L630-F691 HydrophobicContact CD2-CE2 3.77Å; L630-F691 HydrophobicContact CD2-CZ 3.5Å; Y638-F691 AromaticContact CD1-CD2 3.64Å; Y638-F691 HydrophobicContact CD1-CD2 3.64Å; Y638-F691 HydrophobicContact CD1-CE2 4.09Å; Y638-F691 HydrophobicContact CD1-CG 4.47Å; Y638-F691 HydrophobicContact CE1-CD2 4.29Å; Y638-F691 HydrophobicContact CG-CD2 4.27Å; Y638-F691 HydrophobicContact CG-CE2 4.28Å; Y640-F691 HydrophobicContact CD1-CE2 4.35Å; Y640-F691 HydrophobicContact CG-CE2 4.36Å; Y640-F691 HydrophobicContact CG-CZ 4.47Å; I680-F691 HydrophobicContact CG2-CE1 3.84Å; I680-F691 HydrophobicContact CG2-CZ 3.99Å; G682-F691 VanDerWaalsContact CA-CD2 3.44Å; F691-L693 HydrophobicContact CE1-CB 4.32Å; F691-L693 HydrophobicContact CE1-CD1 4.39Å
692	H	96.5	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.5	-173.8	-55.3	98	0	0	0	112.1	E598 V601 W631 Y638 T690	E598-H692 PolarHBondContact O-CD2 3.04Å; E598-H692 VanDerWaalsContact O-CD2 3.25Å; E598-H692 IonicContact OE1-CE1 3.89Å; E598-H692 IonicContact OE1-NE2 3.78Å; V601-H692 HydrophobicContact CG2-CB 3.91Å; W631-H692 HydrophobicContact CB-CB 4.09Å; Y638-H692 AromaticContact CZ-ND1 3.96Å; Y638-H692 PolarHBondContact OH-ND1 3.39Å; T690-H692 VanDerWaalsContact CG2-NE2 3.32Å; T690-H692 WeakPolarHBondContact CG2-NE2 3.37Å; T690-H692 PolarHBondContact O-CE1 2.77Å; T690-H692 PolarHBondContact O-ND1 2.84Å
693	L	95.9	Very high	94.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.9	-174.2	-164.6	65.7	0	0	0	110.1	F397 V602 I613 M628 L630 I680 F691 F696	F397-L693 HydrophobicContact CE2-CB 4.2Å; F397-L693 HydrophobicContact CE2-CD2 3.89Å; F397-L693 HydrophobicContact CE2-CG 3.93Å; F397-L693 WeakPolarHBondContact CE2-O 3.44Å; F397-L693 HydrophobicContact CZ-CD2 3.93Å; F397-L693 HydrophobicContact CZ-CG 4.47Å; V602-L693 PolarHBondContact N-O 3.31Å; V602-L693 WeakPolarHBondContact O-CB 3.36Å; V602-L693 PolarHBondContact O-N 2.89Å; I613-L693 HydrophobicContact CD1-CB 4.18Å; I613-L693 HydrophobicContact CD1-CD2 4.2Å; M628-L693 HydrophobicContact CB-CD1 3.95Å; M628-L693 HydrophobicContact CG-CD1 4.01Å; M628-L693 HydrophobicContact SD-CD1 3.77Å; L630-L693 HydrophobicContact CD2-CD1 4.18Å; I680-L693 HydrophobicContact CD1-CD2 3.59Å; F691-L693 HydrophobicContact CE1-CB 4.32Å; F691-L693 HydrophobicContact CE1-CD1 4.39Å; L693-F696 HydrophobicContact CD2-CB 4.47Å; L693-F696 HydrophobicContact CD2-CD2 4.41Å
694	I	94.1	Very high	93.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-45.7	-174.8	-61.6	-179.6	0	0	0	111	Y394 P595 V601 Q629 W631	Y394-I694 HydrophobicContact CD1-CG2 4.25Å; Y394-I694 WeakPolarHBondContact CD1-O 3.24Å; Y394-I694 HydrophobicContact CE1-CG2 3.55Å; Y394-I694 WeakPolarHBondContact CE1-O 3.31Å; P595-I694 HydrophobicContact CG-CD1 4.17Å; P595-I694 HydrophobicContact CG-CG1 4.26Å; P595-I694 HydrophobicContact CG-CG2 4.17Å; V601-I694 HydrophobicContact CG1-CB 4.48Å; V601-I694 HydrophobicContact CG1-CG1 4.23Å; Q629-I694 HydrophobicContact CB-CB 4.23Å; Q629-I694 HydrophobicContact CG-CB 4.48Å; Q629-I694 HydrophobicContact CG-CD1 4.28Å; Q629-I694 PolarHBondContact O-N 2.84Å; W631-I694 HydrophobicContact CE3-CD1 4.29Å; W631-I694 HydrophobicContact CE3-CG1 4.37Å
695	T	92.9	Very high	93	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	152.4	-176.5	-163.1	0	0	0	0	111.2	H396 F397 M628 Q629 W665	H396-T695 WeakPolarHBondContact O-CB 3.29Å; H396-T695 PolarHBondContact O-OG1 3.12Å; F397-T695 CarbonylContact O-C 3.5Å; F397-T695 WeakPolarHBondContact O-CA 3.28Å; F397-T695 PolarHBondContact O-OG1 3.29Å; F397-T695 VanDerWaalsContact O-OG1 3.06Å; M628-T695 CarbonylContact C-O 3.54Å; M628-T695 VanDerWaalsContact CA-O 3.23Å; M628-T695 WeakPolarHBondContact CA-O 3.35Å; M628-T695 WeakPolarHBondContact CB-O 3.13Å; Q629-T695 HydrophobicContact CB-CG2 3.8Å; Q629-T695 PolarHBondContact N-O 2.85Å; W665-T695 HydrophobicContact CH2-CG2 3.39Å; W665-T695 HydrophobicContact CZ2-CG2 4.05Å; W665-T695 HydrophobicContact CZ3-CG2 3.89Å
696	F	94.9	Very high	92.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.5	-175.7	-177.6	-92.3	0	0	0	111.4	A378 F397 F398 I615 I626 M628 I678 I680 L693 C698	A378-F696 HydrophobicContact CB-CD1 3.7Å; A378-F696 HydrophobicContact CB-CE1 3.86Å; F397-F696 HydrophobicContact CE1-CB 4.12Å; F397-F696 HydrophobicContact CE2-CB 4.09Å; F397-F696 HydrophobicContact CZ-CB 3.72Å; F397-F696 PolarHBondContact O-N 2.99Å; F398-F696 HydrophobicContact CE1-CD1 4.47Å; I615-F696 HydrophobicContact CD1-CB 4.18Å; I615-F696 HydrophobicContact CD1-CD1 3.41Å; I615-F696 VanDerWaalsContact CD1-CD1 3.41Å; I615-F696 HydrophobicContact CD1-CD2 4.04Å; I615-F696 HydrophobicContact CD1-CE1 3.71Å; I615-F696 HydrophobicContact CD1-CE2 4.31Å; I615-F696 HydrophobicContact CD1-CG 3.59Å; I615-F696 HydrophobicContact CD1-CZ 4.16Å; I615-F696 HydrophobicContact CG2-CE1 4.36Å; I626-F696 HydrophobicContact CD1-CZ 4.3Å; I626-F696 HydrophobicContact CG1-CZ 4.21Å; I626-F696 HydrophobicContact CG2-CD2 4.33Å; I626-F696 HydrophobicContact CG2-CE2 3.51Å; I626-F696 HydrophobicContact CG2-CZ 4.01Å; M628-F696 HydrophobicContact CB-CD2 3.9Å; M628-F696 HydrophobicContact SD-CD2 4.36Å; I678-F696 HydrophobicContact CD1-CE1 4.11Å; I678-F696 HydrophobicContact CD1-CZ 3.8Å; I678-F696 HydrophobicContact CG2-CZ 4.16Å; I680-F696 HydrophobicContact CD1-CD2 3.73Å; I680-F696 HydrophobicContact CD1-CE2 3.64Å; L693-F696 HydrophobicContact CD2-CB 4.47Å; L693-F696 HydrophobicContact CD2-CD2 4.41Å; F696-C698 HydrophobicContact CE1-CB 3.77Å; F696-C698 HydrophobicContact CZ-CB 4.19Å
697	R	93.8	Very high	92.3	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.9	176.5	-64.3	-178.4	60.6	168.7	1.7	110.4	N376 I626 R627	N376-R697 VanDerWaalsContact OD1-CA 3.25Å; N376-R697 WeakPolarHBondContact OD1-CA 3.37Å; I626-R697 WeakPolarHBondContact CA-O 3.28Å; R627-R697 HydrophobicContact CB-CB 4.49Å; R627-R697 PolarHBondContact N-O 3.33Å; R627-R697 WeakPolarHBondContact O-CA 3.41Å; R627-R697 PolarHBondContact O-N 2.91Å
698	C	94.7	Very high	92.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	122.6	-175.8	-177	0	0	0	0	108.7	N376 L377 A378 V623 I678 F696	N376-C698 PolarHBondContact OD1-N 3.04Å; N376-C698 PolarHBondContact OD1-O 3.25Å; L377-C698 PolarHBondContact N-O 3Å; A378-C698 HydrophobicContact CB-CB 3.83Å; V623-C698 WeakPolarHBondContact CG1-SG 3.45Å; I678-C698 HydrophobicContact CD1-CB 4.25Å; I678-C698 VanDerWaalsContact CD1-SG 3.55Å; F696-C698 HydrophobicContact CE1-CB 3.77Å; F696-C698 HydrophobicContact CZ-CB 4.19Å
699	F	94.6	Very high	91.9	Very high	28 Å²	28	54.7 Å²	54.7	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	170.1	-171.6	60.2	-80.9	0	0	0	112.8	V375 N624 T625 R627	V375-F699 WeakPolarHBondContact O-CB 3.34Å; N624-F699 PolarHBondContact N-O 2.84Å; T625-F699 HydrophobicContact CG2-CD1 4.5Å; T625-F699 HydrophobicContact CG2-CD2 4.5Å; T625-F699 HydrophobicContact CG2-CE1 3.81Å; T625-F699 HydrophobicContact CG2-CE2 3.82Å; T625-F699 HydrophobicContact CG2-CZ 3.42Å; T625-F699 VanDerWaalsContact CG2-CZ 3.42Å; T625-F699 PolarHBondContact N-O 2.72Å; T625-F699 VanDerWaalsContact N-O 3.09Å; T625-F699 PolarHBondContact O-N 3.11Å; T625-F699 VanDerWaalsContact O-O 3.13Å; R627-F699 HydrophobicContact CB-CE1 4.13Å
700	Y	94.4	Very high	91.5	Very high	53 Å²	53	48.8 Å²	48.8	21%	0.208	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-95.3	128.7	167.3	-172.1	-90.9	0	0	0	110.4	L371 P373 G374 I622 N624 S672 E702	L371-Y700 HydrophobicContact CD1-CD1 3.8Å; L371-Y700 HydrophobicContact CD1-CD2 3.67Å; L371-Y700 HydrophobicContact CD1-CE1 4.33Å; L371-Y700 HydrophobicContact CD1-CE2 4.2Å; L371-Y700 HydrophobicContact CD1-CG 3.43Å; L371-Y700 VanDerWaalsContact CD1-CG 3.43Å; P373-Y700 HydrophobicContact CB-CD1 4.36Å; P373-Y700 HydrophobicContact CG-CD1 4.38Å; G374-Y700 PolarHBondContact N-O 2.96Å; I622-Y700 HydrophobicContact CG2-CD2 3.88Å; I622-Y700 HydrophobicContact CG2-CE2 4Å; N624-Y700 HydrophobicContact CB-CD2 4.41Å; S672-Y700 WeakPolarHBondContact OG-CE2 3.22Å; Y700-E702 HydrophobicContact CD1-CG 4.5Å; Y700-E702 HydrophobicContact CE1-CG 4.12Å
701	S	92.1	Very high	91.4	Very high	18 Å²	18	48.5 Å²	48.5	13%	0.126	25%	0.252	C	S	.	.			trans	-116.4	134.6	172.8	-161.9	0	0	0	0	110.6	N624 T625 K703	N624-S701 PolarHBondContact ND2-O 2.67Å; N624-S701 PolarHBondContact OD1-N 3.1Å; N624-S701 PolarHBondContact OD1-O 2.98Å; T625-S701 VanDerWaalsContact OG1-CB 3.28Å; T625-S701 WeakPolarHBondContact OG1-CB 3.06Å; S701-K703 PolarHBondContact O-N 2.92Å
702	E	89.4	Confident	91.2	Very high	137 Å²	137	49 Å²	49	64%	0.64	25%	0.254	S	S	*	.	S	Bend	trans	-76.1	-9.5	174	-58.8	-177.9	155.9	0	0	112.4	Y700 V704	Y700-E702 HydrophobicContact CD1-CG 4.5Å; Y700-E702 HydrophobicContact CE1-CG 4.12Å; E702-V704 PolarHBondContact O-N 2.79Å; E702-V704 VanDerWaalsContact O-N 3.12Å
703	K	84.6	Confident	91.1	Very high	143 Å²	143	49.6 Å²	49.6	62%	0.622	26%	0.258	S	S	*	.			trans	-77.6	95.3	176.9	-64.1	-178.9	-178.2	175.7	0	110.2	S701 F705	S701-K703 PolarHBondContact O-N 2.92Å; K703-F705 HydrophobicContact CB-CE2 3.75Å; K703-F705 HydrophobicContact CB-CZ 4.28Å; K703-F705 VanDerWaalsContact O-CD2 3.29Å; K703-F705 WeakPolarHBondContact O-CD2 3.48Å; K703-F705 WeakPolarHBondContact O-CE2 3.45Å
704	V	81.6	Confident	90.9	Very high	135 Å²	135	50.1 Å²	50.1	82%	0.818	26%	0.261	S	S	*	.			trans	-75.2	130.2	173.2	-176.5	0	0	0	0	110.2	E702	E702-V704 PolarHBondContact O-N 2.79Å; E702-V704 VanDerWaalsContact O-N 3.12Å
705	F	86	Confident	90.7	Very high	25 Å²	25	54.9 Å²	54.9	11%	0.11	29%	0.291	C	S	.	.			trans	-116.8	140.7	173.7	-68.9	-84.7	0	0	0	110.6	Y669 K703 Q707 M712 F716	Y669-F705 AromaticContact CD1-CD2 3.91Å; Y669-F705 HydrophobicContact CD1-CD2 3.91Å; Y669-F705 HydrophobicContact CD1-CE2 4.33Å; Y669-F705 AromaticContact CD2-CD2 3.74Å; Y669-F705 HydrophobicContact CD2-CD2 3.74Å; Y669-F705 HydrophobicContact CD2-CE2 4.23Å; Y669-F705 HydrophobicContact CD2-CG 4.38Å; Y669-F705 AromaticContact CE1-CD2 3.81Å; Y669-F705 HydrophobicContact CE1-CD2 3.81Å; Y669-F705 AromaticContact CE1-CE2 3.75Å; Y669-F705 HydrophobicContact CE1-CE2 3.75Å; Y669-F705 AromaticContact CE2-CD2 3.63Å; Y669-F705 HydrophobicContact CE2-CD2 3.63Å; Y669-F705 AromaticContact CE2-CE2 3.63Å; Y669-F705 HydrophobicContact CE2-CE2 3.63Å; Y669-F705 HydrophobicContact CE2-CG 4.46Å; Y669-F705 HydrophobicContact CE2-CZ 4.46Å; Y669-F705 AromaticContact CG-CD2 3.87Å; Y669-F705 HydrophobicContact CG-CD2 3.87Å; Y669-F705 AromaticContact CZ-CD2 3.68Å; Y669-F705 AromaticContact CZ-CE2 3.36Å; K703-F705 HydrophobicContact CB-CE2 3.75Å; K703-F705 HydrophobicContact CB-CZ 4.28Å; K703-F705 VanDerWaalsContact O-CD2 3.29Å; K703-F705 WeakPolarHBondContact O-CD2 3.48Å; K703-F705 WeakPolarHBondContact O-CE2 3.45Å; F705-Q707 PolarHBondContact O-N 2.86Å; F705-M712 HydrophobicContact CB-CG 4.04Å; F705-M712 HydrophobicContact CB-SD 4.32Å; F705-M712 HydrophobicContact CD1-SD 4.34Å; F705-M712 HydrophobicContact CG-CG 4.46Å; F705-M712 HydrophobicContact CG-SD 4.17Å; F705-F716 HydrophobicContact CD1-CE1 4.44Å; F705-F716 AromaticContact CE1-CD1 3.86Å; F705-F716 HydrophobicContact CE1-CD1 3.86Å; F705-F716 AromaticContact CE1-CE1 3.58Å; F705-F716 HydrophobicContact CE1-CE1 3.58Å; F705-F716 HydrophobicContact CZ-CD1 4.31Å; F705-F716 AromaticContact CZ-CE1 3.86Å; F705-F716 HydrophobicContact CZ-CE1 3.86Å
706	Q	89.4	Confident	90.5	Very high	116 Å²	116	57.7 Å²	57.7	54%	0.542	30%	0.302	S	S	.	.			trans	-63.3	133.1	171.2	179.7	177.9	32	0	0	109.5	V713	Q706-V713 HydrophobicContact CB-CB 4.17Å; Q706-V713 HydrophobicContact CB-CG2 4.41Å; Q706-V713 HydrophobicContact CG-CB 4.36Å; Q706-V713 HydrophobicContact CG-CG2 4.06Å; Q706-V713 PolarHBondContact O-N 3.34Å
707	Q	88.3	Confident	90.4	Very high	62 Å²	62	59 Å²	59	29%	0.29	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.6	172.4	-67.1	163.3	42.8	0	0	108.8	Y669 F705 F711	Y669-Q707 PolarHBondContact O-NE2 2.84Å; Y669-Q707 PolarHBondContact O-OE1 2.81Å; F705-Q707 PolarHBondContact O-N 2.86Å; Q707-F711 VanDerWaalsContact CA-O 3.26Å; Q707-F711 WeakPolarHBondContact CA-O 3.32Å
708	V	90	Very high	90.5	Very high	55 Å²	55	57.8 Å²	57.8	33%	0.333	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.5	167.6	-171.8	0	0	0	0	106.6	G710 F711 V713 L771	V708-G710 PolarHBondContact O-N 3.15Å; V708-G710 VanDerWaalsContact O-N 3.08Å; V708-F711 PolarHBondContact N-O 3.07Å; V708-F711 PolarHBondContact O-N 2.88Å; V708-V713 HydrophobicContact CG2-CG2 4.41Å; V708-L771 HydrophobicContact CB-CD1 3.64Å; V708-L771 HydrophobicContact CG2-CD1 4.18Å
709	D	88	Confident	90.5	Very high	149 Å²	149	57.8 Å²	57.8	80%	0.797	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	31.9	-177.1	-49.8	-33.7	0	0	0	114.4	F711	D709-F711 VanDerWaalsContact C-N 3.33Å; D709-F711 HydrophobicContact CB-CD2 4.36Å; D709-F711 VanDerWaalsContact O-CD2 3.26Å; D709-F711 WeakPolarHBondContact O-CD2 3.36Å; D709-F711 WeakPolarHBondContact O-CE2 3.19Å; D709-F711 PolarHBondContact O-N 2.81Å
710	G	87.9	Confident	90.3	Very high	43 Å²	43	57.8 Å²	57.8	44%	0.443	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-5	-177.1	0	0	0	0	0	115.4	V708	V708-G710 PolarHBondContact O-N 3.15Å; V708-G710 VanDerWaalsContact O-N 3.08Å
711	F	93	Very high	90.1	Very high	22 Å²	22	57.8 Å²	57.8	10%	0.096	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.6	179.3	-59.8	-85	0	0	0	111.8	Y657 Y660 Q707 V708 D709 P769 L771 L823	Y657-F711 AromaticContact CD1-CE1 3.86Å; Y657-F711 HydrophobicContact CD1-CE1 3.86Å; Y657-F711 AromaticContact CE1-CD1 3.72Å; Y657-F711 HydrophobicContact CE1-CD1 3.72Å; Y657-F711 AromaticContact CE1-CE1 3.46Å; Y657-F711 HydrophobicContact CE1-CE1 3.46Å; Y657-F711 VanDerWaalsContact CE1-CE1 3.46Å; Y657-F711 HydrophobicContact CE1-CZ 4.36Å; Y660-F711 HydrophobicContact CD2-CE1 4.49Å; Y660-F711 HydrophobicContact CE1-CE1 4.24Å; Y660-F711 HydrophobicContact CE1-CZ 4.35Å; Y660-F711 AromaticContact CE2-CE1 3.99Å; Y660-F711 HydrophobicContact CE2-CE1 3.99Å; Y660-F711 AromaticContact CE2-CZ 3.7Å; Y660-F711 HydrophobicContact CE2-CZ 3.7Å; Y660-F711 AromaticContact CZ-CE1 3.85Å; Y660-F711 AromaticContact CZ-CZ 3.56Å; Y660-F711 WeakPolarHBondContact OH-CZ 3.47Å; Q707-F711 VanDerWaalsContact CA-O 3.26Å; Q707-F711 WeakPolarHBondContact CA-O 3.32Å; V708-F711 PolarHBondContact N-O 3.07Å; V708-F711 PolarHBondContact O-N 2.88Å; D709-F711 VanDerWaalsContact C-N 3.33Å; D709-F711 HydrophobicContact CB-CD2 4.36Å; D709-F711 VanDerWaalsContact O-CD2 3.26Å; D709-F711 WeakPolarHBondContact O-CD2 3.36Å; D709-F711 WeakPolarHBondContact O-CE2 3.19Å; D709-F711 PolarHBondContact O-N 2.81Å; F711-P769 HydrophobicContact CD1-CB 4.08Å; F711-P769 HydrophobicContact CD1-CG 3.9Å; F711-P769 HydrophobicContact CE1-CB 4.09Å; F711-P769 HydrophobicContact CE1-CG 3.69Å; F711-L771 HydrophobicContact CB-CD1 3.86Å; F711-L771 HydrophobicContact CB-CG 3.88Å; F711-L823 HydrophobicContact CB-CD2 3.73Å; F711-L823 HydrophobicContact CD1-CD2 3.6Å; F711-L823 HydrophobicContact CD2-CD1 4.29Å; F711-L823 HydrophobicContact CD2-CD2 3.92Å; F711-L823 HydrophobicContact CE1-CD1 4.45Å; F711-L823 HydrophobicContact CE1-CD2 4.2Å; F711-L823 HydrophobicContact CE2-CD1 4.15Å; F711-L823 HydrophobicContact CE2-CD2 4.49Å; F711-L823 HydrophobicContact CG-CD2 3.45Å; F711-L823 VanDerWaalsContact CG-CD2 3.45Å; F711-L823 HydrophobicContact CZ-CD1 4.24Å
712	M	92.3	Very high	89.8	Confident	9 Å²	9	61.5 Å²	61.5	4%	0.044	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.2	-179.6	-168.3	180	92.5	0	0	112	Y669 F705 P714 F716 F770 L771	Y669-M712 HydrophobicContact CD2-SD 3.53Å; Y669-M712 VanDerWaalsContact CD2-SD 3.53Å; Y669-M712 HydrophobicContact CE2-SD 3.84Å; F705-M712 HydrophobicContact CB-CG 4.04Å; F705-M712 HydrophobicContact CB-SD 4.32Å; F705-M712 HydrophobicContact CD1-SD 4.34Å; F705-M712 HydrophobicContact CG-CG 4.46Å; F705-M712 HydrophobicContact CG-SD 4.17Å; M712-P714 HydrophobicContact CE-CB 3.66Å; M712-P714 HydrophobicContact CE-CG 4.49Å; M712-P714 WeakPolarHBondContact O-CD 3.17Å; M712-F716 HydrophobicContact CE-CE1 3.85Å; M712-F716 HydrophobicContact CE-CZ 3.82Å; M712-F770 HydrophobicContact CB-CD1 4.39Å; M712-F770 HydrophobicContact CE-CD1 3.97Å; M712-F770 HydrophobicContact CE-CE1 3.58Å; M712-L771 PolarHBondContact O-N 2.96Å
713	V	94.2	Very high	89.7	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	32%	0.315	C	S	.	.			trans	-94.4	97.8	163.3	-175.3	0	0	0	0	107.8	Q706 V708 L771	Q706-V713 HydrophobicContact CB-CB 4.17Å; Q706-V713 HydrophobicContact CB-CG2 4.41Å; Q706-V713 HydrophobicContact CG-CB 4.36Å; Q706-V713 HydrophobicContact CG-CG2 4.06Å; Q706-V713 PolarHBondContact O-N 3.34Å; V708-V713 HydrophobicContact CG2-CG2 4.41Å; V713-L771 HydrophobicContact CG2-CB 3.85Å; V713-L771 HydrophobicContact CG2-CD1 4.06Å
714	P	92.3	Very high	90	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.065	29%	0.287	C	S	.	.			trans	-65.6	148.9	-179.4	23.9	-33.6	0	0	0	113.2	M712 V718 F770 L772 P848	M712-P714 HydrophobicContact CE-CB 3.66Å; M712-P714 HydrophobicContact CE-CG 4.49Å; M712-P714 WeakPolarHBondContact O-CD 3.17Å; P714-V718 HydrophobicContact CB-CG1 3.78Å; P714-V718 HydrophobicContact CG-CG1 4.19Å; P714-V718 HydrophobicContact CG-CG2 4.28Å; P714-F770 HydrophobicContact CG-CB 4.28Å; P714-F770 HydrophobicContact CG-CD1 4.22Å; P714-F770 HydrophobicContact CG-CG 4.43Å; P714-L772 HydrophobicContact CG-CD2 3.45Å; P714-L772 VanDerWaalsContact CG-CD2 3.45Å; P714-P848 HydrophobicContact CB-CG 4.11Å; P714-P848 HydrophobicContact CG-CG 3.96Å
715	T	89.8	Confident	90.6	Very high	102 Å²	102	45.5 Å²	45.5	63%	0.626	25%	0.25	S	C	*	.	S	Bend	trans	-109.4	-2.1	172.3	52.7	0	0	0	0	113.1
716	F	90	Very high	91	Very high	64 Å²	64	44.6 Å²	44.6	28%	0.281	25%	0.247	S	C	.	.	S	Bend	trans	-131.3	157.1	-176.7	61.8	-87.9	0	0	0	109.9	F705 M712 V718 H723 P848	F705-F716 HydrophobicContact CD1-CE1 4.44Å; F705-F716 AromaticContact CE1-CD1 3.86Å; F705-F716 HydrophobicContact CE1-CD1 3.86Å; F705-F716 AromaticContact CE1-CE1 3.58Å; F705-F716 HydrophobicContact CE1-CE1 3.58Å; F705-F716 HydrophobicContact CZ-CD1 4.31Å; F705-F716 AromaticContact CZ-CE1 3.86Å; F705-F716 HydrophobicContact CZ-CE1 3.86Å; M712-F716 HydrophobicContact CE-CE1 3.85Å; M712-F716 HydrophobicContact CE-CZ 3.82Å; F716-V718 HydrophobicContact CD2-CG1 4.2Å; F716-V718 HydrophobicContact CE2-CG1 3.69Å; F716-V718 HydrophobicContact CZ-CG1 4.1Å; F716-V718 PolarHBondContact O-N 3.42Å; F716-V718 VanDerWaalsContact O-N 3.11Å; F716-H723 AromaticContact CD2-CE1 3.52Å; F716-H723 AromaticContact CD2-ND1 3.92Å; F716-H723 AromaticContact CD2-NE2 3.95Å; F716-H723 AromaticContact CE2-CD2 3.98Å; F716-H723 AromaticContact CE2-CE1 3.66Å; F716-H723 AromaticContact CE2-ND1 3.88Å; F716-H723 AromaticContact CE2-NE2 3.71Å; F716-P848 VanDerWaalsContact O-CD 3.26Å; F716-P848 WeakPolarHBondContact O-CD 3.49Å
717	N	93	Very high	91.2	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.144	23%	0.228	C	C	.	.			trans	-63.6	111.3	-178.2	178.5	27.8	0	0	0	112	A719 H723 E846 C847	N717-A719 PolarHBondContact ND2-O 3.02Å; N717-A719 VanDerWaalsContact ND2-O 3.07Å; N717-A719 WeakPolarHBondContact OD1-CA 3.12Å; N717-A719 WeakPolarHBondContact OD1-CB 3.15Å; N717-A719 PolarHBondContact OD1-N 3.22Å; N717-H723 PolarHBondContact O-CE1 3.21Å; N717-H723 PolarHBondContact O-ND1 3.19Å; N717-E846 HydrophobicContact CB-CB 4.37Å; N717-E846 VanDerWaalsContact OD1-CA 3.32Å; N717-E846 WeakPolarHBondContact OD1-CA 3.06Å; N717-C847 PolarHBondContact OD1-N 2.9Å; N717-C847 PolarHBondContact OD1-O 2.75Å; N717-C847 VanDerWaalsContact OD1-O 3.11Å
718	V	94.4	Very high	91.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.222	C	C	.	.			trans	-88.9	-12	173.8	-65.2	0	0	0	0	113	P714 F716 N720 L766 F770 L772 C847	P714-V718 HydrophobicContact CB-CG1 3.78Å; P714-V718 HydrophobicContact CG-CG1 4.19Å; P714-V718 HydrophobicContact CG-CG2 4.28Å; F716-V718 HydrophobicContact CD2-CG1 4.2Å; F716-V718 HydrophobicContact CE2-CG1 3.69Å; F716-V718 HydrophobicContact CZ-CG1 4.1Å; F716-V718 PolarHBondContact O-N 3.42Å; F716-V718 VanDerWaalsContact O-N 3.11Å; V718-N720 PolarHBondContact O-N 3Å; V718-L766 HydrophobicContact CG2-CD1 4.19Å; V718-L766 HydrophobicContact CG2-CD2 4.49Å; V718-F770 HydrophobicContact CB-CD2 4.14Å; V718-F770 HydrophobicContact CB-CE2 3.73Å; V718-F770 HydrophobicContact CB-CZ 3.96Å; V718-F770 HydrophobicContact CG1-CD1 4.37Å; V718-F770 HydrophobicContact CG1-CD2 4.44Å; V718-F770 HydrophobicContact CG1-CE1 3.93Å; V718-F770 HydrophobicContact CG1-CE2 3.99Å; V718-F770 HydrophobicContact CG1-CZ 3.7Å; V718-F770 HydrophobicContact CG2-CD2 3.71Å; V718-F770 HydrophobicContact CG2-CE2 3.84Å; V718-F770 HydrophobicContact CG2-CG 4.13Å; V718-F770 HydrophobicContact CG2-CZ 4.39Å; V718-L772 HydrophobicContact CG2-CD2 4.46Å; V718-C847 WeakPolarHBondContact CG2-O 3.48Å; V718-C847 PolarHBondContact N-O 3.32Å
719	A	94.9	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-79.3	64.2	167.6	0	0	0	0	0	110.9	N717 I739 L766 L845 C847	N717-A719 PolarHBondContact ND2-O 3.02Å; N717-A719 VanDerWaalsContact ND2-O 3.07Å; N717-A719 WeakPolarHBondContact OD1-CA 3.12Å; N717-A719 WeakPolarHBondContact OD1-CB 3.15Å; N717-A719 PolarHBondContact OD1-N 3.22Å; A719-I739 HydrophobicContact CB-CG2 4.41Å; A719-L766 HydrophobicContact CB-CD2 4.04Å; A719-L845 HydrophobicContact CB-CD2 4.26Å; A719-L845 HydrophobicContact CB-CG 4.19Å; A719-C847 HydrophobicContact CB-CB 4.11Å; A719-C847 PolarHBondContact N-O 3.43Å
720	N	91.4	Very high	91.8	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	20%	0.199	C	C	.	.	S	Bend	trans	-142.1	146.1	174.2	-174.2	-58.9	0	0	0	110.3	V718 D722 H723 G724 A725 I739	V718-N720 PolarHBondContact O-N 3Å; N720-D722 VanDerWaalsContact C-N 3.3Å; N720-D722 PolarHBondContact O-N 2.81Å; N720-D722 PolarHBondContact OD1-N 3.16Å; N720-H723 CarbonylContact O-C 3.57Å; N720-H723 WeakPolarHBondContact O-CA 3.38Å; N720-H723 PolarHBondContact O-N 2.57Å; N720-G724 PolarHBondContact O-N 2.9Å; N720-A725 WeakPolarHBondContact O-CB 3.47Å; N720-A725 PolarHBondContact O-N 3.47Å; N720-A725 VanDerWaalsContact O-N 3.09Å; N720-I739 WeakPolarHBondContact CA-O 3.43Å
721	V	88.9	Confident	92	Very high	52 Å²	52	36.5 Å²	36.5	32%	0.315	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-55.2	-39.4	176.9	-174.9	0	0	0	0	113.1	H723 G724 N736 I739	V721-H723 PolarHBondContact O-N 2.91Å; V721-G724 WeakPolarHBondContact O-CA 3.49Å; V721-G724 PolarHBondContact O-N 3.45Å; V721-N736 HydrophobicContact CG2-CB 3.47Å; V721-N736 VanDerWaalsContact CG2-CB 3.47Å; V721-I739 HydrophobicContact CG2-CD1 4.02Å; V721-I739 HydrophobicContact CG2-CG1 3.92Å; V721-I739 PolarHBondContact N-O 3.32Å
722	D	85.5	Confident	91.9	Very high	96 Å²	96	37.3 Å²	37.3	51%	0.513	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-72.4	-16.2	178.9	-76.1	-44.7	0	0	0	113.3	K591 N720 G724	K591-D722 IonicContact NZ-OD1 2.69Å; K591-D722 PolarHBondContact NZ-OD1 3.18Å; N720-D722 VanDerWaalsContact C-N 3.3Å; N720-D722 PolarHBondContact O-N 2.81Å; N720-D722 PolarHBondContact OD1-N 3.16Å; D722-G724 VanDerWaalsContact C-N 3.34Å
723	H	87.9	Confident	91.6	Very high	72 Å²	72	44.2 Å²	44.2	33%	0.333	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-95.6	15.1	166.6	-59.5	137.6	0	0	0	112.6	F716 N717 N720 V721 A725 A767	F716-H723 AromaticContact CD2-CE1 3.52Å; F716-H723 AromaticContact CD2-ND1 3.92Å; F716-H723 AromaticContact CD2-NE2 3.95Å; F716-H723 AromaticContact CE2-CD2 3.98Å; F716-H723 AromaticContact CE2-CE1 3.66Å; F716-H723 AromaticContact CE2-ND1 3.88Å; F716-H723 AromaticContact CE2-NE2 3.71Å; N717-H723 PolarHBondContact O-CE1 3.21Å; N717-H723 PolarHBondContact O-ND1 3.19Å; N720-H723 CarbonylContact O-C 3.57Å; N720-H723 WeakPolarHBondContact O-CA 3.38Å; N720-H723 PolarHBondContact O-N 2.57Å; V721-H723 PolarHBondContact O-N 2.91Å; H723-A725 VanDerWaalsContact C-N 3.32Å; H723-A725 PolarHBondContact O-N 2.95Å; H723-A767 VanDerWaalsContact O-CB 3.24Å; H723-A767 WeakPolarHBondContact O-CB 3.42Å
724	G	90.9	Very high	91.1	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	9.4	174	0	0	0	0	0	115.5	N720 V721 D722	N720-G724 PolarHBondContact O-N 2.9Å; V721-G724 WeakPolarHBondContact O-CA 3.49Å; V721-G724 PolarHBondContact O-N 3.45Å; D722-G724 VanDerWaalsContact C-N 3.34Å
725	A	94.3	Very high	90.6	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.033	29%	0.287	C	S	.	.			trans	-72	155.1	174.6	0	0	0	0	0	111.9	N720 H723 I739 Q765 L766	N720-A725 WeakPolarHBondContact O-CB 3.47Å; N720-A725 PolarHBondContact O-N 3.47Å; N720-A725 VanDerWaalsContact O-N 3.09Å; H723-A725 VanDerWaalsContact C-N 3.32Å; H723-A725 PolarHBondContact O-N 2.95Å; A725-I739 HydrophobicContact CB-CD1 4.09Å; A725-I739 WeakPolarHBondContact O-CD1 3.48Å; A725-Q765 CarbonylContact C-O 3.51Å; A725-Q765 VanDerWaalsContact CA-O 3.3Å; A725-Q765 WeakPolarHBondContact CA-O 3.39Å; A725-L766 HydrophobicContact CB-CD2 4.18Å
726	T	94	Very high	90.2	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.5	-175.9	-165.6	0	0	0	0	112.6	L728 V764 Q765	T726-L728 HydrophobicContact CG2-CD2 3.89Å; T726-L728 HydrophobicContact CG2-CG 4.48Å; T726-V764 CarbonylContact O-C 3.6Å; T726-V764 VanDerWaalsContact O-CA 3.32Å; T726-V764 WeakPolarHBondContact O-CA 3.48Å; T726-V764 WeakPolarHBondContact O-CG1 3.32Å; T726-Q765 HydrophobicContact CG2-CB 4.02Å; T726-Q765 PolarHBondContact N-O 3.27Å; T726-Q765 PolarHBondContact O-N 3.21Å
727	V	94.4	Very high	90.2	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.9	170.5	-174.3	0	0	0	0	108.8	E729 L738 I739 T753 V764	V727-E729 VanDerWaalsContact CG1-O 3.24Å; V727-E729 WeakPolarHBondContact CG1-O 3.39Å; V727-L738 HydrophobicContact CG2-CB 4.14Å; V727-L738 HydrophobicContact CG2-CD2 4.35Å; V727-I739 HydrophobicContact CG2-CD1 4.28Å; V727-I739 HydrophobicContact CG2-CG1 4.33Å; V727-T753 HydrophobicContact CG1-CG2 4.26Å; V727-V764 HydrophobicContact CG2-CG2 4.42Å
728	L	92.8	Very high	90.2	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-35.5	176.8	-64.1	-172.3	0	0	0	113.1	L635 T726 V763 Q765 F826	L635-L728 HydrophobicContact CD2-CD2 4.02Å; T726-L728 HydrophobicContact CG2-CD2 3.89Å; T726-L728 HydrophobicContact CG2-CG 4.48Å; L728-V763 HydrophobicContact CB-CB 4.42Å; L728-V763 HydrophobicContact CB-CG1 4.3Å; L728-V763 HydrophobicContact CD1-CG1 4.4Å; L728-V763 PolarHBondContact N-O 3.35Å; L728-Q765 HydrophobicContact CD1-CB 3.78Å; L728-Q765 HydrophobicContact CD2-CB 4.37Å; L728-Q765 HydrophobicContact CG-CB 3.91Å; L728-F826 HydrophobicContact CD1-CD1 4.1Å; L728-F826 HydrophobicContact CD1-CE1 3.91Å
729	E	94.1	Very high	90.1	Very high	63 Å²	63	47.5 Å²	47.5	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.9	-179.6	-62	165.9	-136.4	0	0	109.2	V727 I762 V763 R797	V727-E729 VanDerWaalsContact CG1-O 3.24Å; V727-E729 WeakPolarHBondContact CG1-O 3.39Å; E729-I762 WeakPolarHBondContact O-CA 3.12Å; E729-V763 HydrophobicContact CB-CB 3.81Å; E729-V763 HydrophobicContact CB-CG2 3.95Å; E729-V763 HydrophobicContact CG-CB 4.02Å; E729-V763 HydrophobicContact CG-CG2 4.09Å; E729-V763 PolarHBondContact N-O 2.86Å; E729-V763 PolarHBondContact O-N 2.88Å; E729-V763 WeakPolarHBondContact OE1-CG2 3.41Å; E729-V763 WeakPolarHBondContact OE2-CG2 3.34Å; E729-R797 IonicContact OE1-CZ 2.72Å; E729-R797 IonicContact OE1-NE 3.32Å; E729-R797 IonicContact OE1-NH2 3.11Å; E729-R797 PolarHBondContact OE1-NH2 3.25Å
730	G	92.7	Very high	89.9	Confident	34 Å²	34	50.9 Å²	50.9	35%	0.351	26%	0.262	S	S	.	.	S	Bend	trans	112.4	151.7	-170.2	0	0	0	0	0	112	C754 A761	G730-C754 WeakPolarHBondContact CA-O 3.42Å; G730-A761 PolarHBondContact N-O 3.15Å
731	V	91.6	Very high	89.7	Confident	100 Å²	100	51.4 Å²	51.4	61%	0.606	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-107.7	135.9	-177.2	-178.5	0	0	0	0	109.7	T753 C754	V731-T753 CarbonylContact O-C 3.52Å; V731-T753 WeakPolarHBondContact O-CA 3.3Å; V731-C754 PolarHBondContact N-O 2.94Å; V731-C754 PolarHBondContact O-N 2.96Å; V731-C754 PolarHBondContact O-SG 2.88Å
732	S	89.8	Confident	89.6	Confident	40 Å²	40	50.3 Å²	50.3	28%	0.28	27%	0.266	S	S	.	.			trans	-146.3	155.2	167.4	-172.4	0	0	0	0	109.9	N734 Y752	S732-N734 VanDerWaalsContact C-N 3.32Å; S732-N734 WeakPolarHBondContact CB-O 3.41Å; S732-N734 PolarHBondContact OG-N 3.23Å; S732-N734 PolarHBondContact OG-O 3.14Å; S732-N734 VanDerWaalsContact OG-O 3.14Å; S732-Y752 VanDerWaalsContact CB-O 3.24Å; S732-Y752 WeakPolarHBondContact CB-O 3.48Å; S732-Y752 PolarHBondContact OG-O 2.94Å
733	R	87.2	Confident	89.7	Confident	153 Å²	153	48.9 Å²	48.9	58%	0.577	26%	0.258	S	S	*	.	S	Bend	trans	-72.9	-27.7	170.3	-53.6	-158	-157.7	159.3	9.8	112	W748 N749	R733-W748 PolarHBondContact NH2-O 3.48Å; R733-N749 WeakPolarHBondContact CD-O 3.33Å; R733-N749 WeakPolarHBondContact CG-O 3.14Å; R733-N749 PolarHBondContact NE-O 2.79Å; R733-N749 VanDerWaalsContact NE-O 3.15Å; R733-N749 PolarHBondContact NH1-OD1 3.21Å; R733-N749 PolarHBondContact NH2-OD1 3.1Å
734	N	84.1	Confident	89.8	Confident	84 Å²	84	54.8 Å²	54.8	45%	0.449	28%	0.277	S	S	.	.	S	Bend	trans	-113.8	120.7	178.1	-65.8	3.9	0	0	0	108.9	S732 N736 A737	S732-N734 VanDerWaalsContact C-N 3.32Å; S732-N734 WeakPolarHBondContact CB-O 3.41Å; S732-N734 PolarHBondContact OG-N 3.23Å; S732-N734 PolarHBondContact OG-O 3.14Å; S732-N734 VanDerWaalsContact OG-O 3.14Å; N734-N736 PolarHBondContact O-N 3.41Å; N734-A737 HydrophobicContact CB-CB 4.17Å; N734-A737 WeakPolarHBondContact O-CB 3.44Å; N734-A737 PolarHBondContact O-N 2.82Å
735	R	80.2	Confident	89.6	Confident	175 Å²	175	60.5 Å²	60.5	66%	0.66	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	133.4	178.9	-170.9	-179.8	-178	-169.3	0.5	109.9	A737	R735-A737 VanDerWaalsContact C-N 3.32Å; R735-A737 PolarHBondContact O-N 2.93Å
736	N	82.3	Confident	89.5	Confident	26 Å²	26	61.8 Å²	61.8	14%	0.139	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	15.7	-179.5	-54.7	-28.5	0	0	0	116.8	V721 N734 L738 I739 D740	V721-N736 HydrophobicContact CG2-CB 3.47Å; V721-N736 VanDerWaalsContact CG2-CB 3.47Å; N734-N736 PolarHBondContact O-N 3.41Å; N736-L738 PolarHBondContact O-N 3.43Å; N736-I739 HydrophobicContact CB-CD1 4.29Å; N736-I739 HydrophobicContact CB-CG1 3.94Å; N736-I739 WeakPolarHBondContact O-CG1 3.48Å; N736-I739 PolarHBondContact O-N 3.15Å; N736-D740 PolarHBondContact O-N 2.7Å
737	A	89.5	Confident	89.4	Confident	3 Å²	3	64.1 Å²	64.1	3%	0.025	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-19.3	179	0	0	0	0	0	115.7	N734 R735 I739	N734-A737 HydrophobicContact CB-CB 4.17Å; N734-A737 WeakPolarHBondContact O-CB 3.44Å; N734-A737 PolarHBondContact O-N 2.82Å; R735-A737 VanDerWaalsContact C-N 3.32Å; R735-A737 PolarHBondContact O-N 2.93Å; A737-I739 VanDerWaalsContact C-N 3.33Å
738	L	93.4	Very high	89	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.3	175.3	-178.7	60.2	0	0	0	114.3	V727 N736 I762 V764 L842 H844 L845	V727-L738 HydrophobicContact CG2-CB 4.14Å; V727-L738 HydrophobicContact CG2-CD2 4.35Å; N736-L738 PolarHBondContact O-N 3.43Å; L738-I762 HydrophobicContact CD2-CG2 3.47Å; L738-I762 VanDerWaalsContact CD2-CG2 3.47Å; L738-V764 HydrophobicContact CD2-CG2 3.69Å; L738-L842 HydrophobicContact CD1-CB 4.02Å; L738-L842 HydrophobicContact CD1-CD2 3.61Å; L738-L842 HydrophobicContact CD1-CG 3.57Å; L738-L842 HydrophobicContact CD2-CD2 4.08Å; L738-L842 HydrophobicContact CG-CD2 4.5Å; L738-H844 CarbonylContact O-C 3.42Å; L738-H844 WeakPolarHBondContact O-CA 3.24Å; L738-L845 HydrophobicContact CD1-CB 3.94Å; L738-L845 HydrophobicContact CG-CB 3.95Å; L738-L845 PolarHBondContact O-N 3.35Å
739	I	92.8	Very high	88.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-141.6	21.9	-165.5	55.9	167.1	0	0	0	112.1	A719 N720 V721 A725 V727 N736 A737 V764 L845	A719-I739 HydrophobicContact CB-CG2 4.41Å; N720-I739 WeakPolarHBondContact CA-O 3.43Å; V721-I739 HydrophobicContact CG2-CD1 4.02Å; V721-I739 HydrophobicContact CG2-CG1 3.92Å; V721-I739 PolarHBondContact N-O 3.32Å; A725-I739 HydrophobicContact CB-CD1 4.09Å; A725-I739 WeakPolarHBondContact O-CD1 3.48Å; V727-I739 HydrophobicContact CG2-CD1 4.28Å; V727-I739 HydrophobicContact CG2-CG1 4.33Å; N736-I739 HydrophobicContact CB-CD1 4.29Å; N736-I739 HydrophobicContact CB-CG1 3.94Å; N736-I739 WeakPolarHBondContact O-CG1 3.48Å; N736-I739 PolarHBondContact O-N 3.15Å; A737-I739 VanDerWaalsContact C-N 3.33Å; I739-V764 HydrophobicContact CG2-CG1 4.46Å; I739-L845 HydrophobicContact CG2-CB 4.28Å; I739-L845 HydrophobicContact CG2-CD2 4.48Å
740	D	89.5	Confident	88.5	Confident	71 Å²	71	70.2 Å²	70.2	38%	0.38	35%	0.348	S	S	.	.	S	Bend	trans	-86.1	-11.1	178.1	65.7	2	0	0	0	113.2	N736 N742	N736-D740 PolarHBondContact O-N 2.7Å; D740-N742 VanDerWaalsContact OD1-CB 3.22Å; D740-N742 WeakPolarHBondContact OD1-CB 3.33Å; D740-N742 PolarHBondContact OD1-N 3.18Å
741	G	87.6	Confident	88.4	Confident	39 Å²	39	68.8 Å²	68.8	40%	0.402	33%	0.333	S	S	.	.	S	Bend	trans	95.3	-4	-177.5	0	0	0	0	0	114.8	I743	G741-I743 PolarHBondContact O-N 3Å
742	N	87.8	Confident	88.5	Confident	29 Å²	29	65.4 Å²	65.4	16%	0.155	31%	0.31	C	S	.	.			trans	-88.6	85.7	-168.7	175.5	21.4	0	0	0	113.2	D740 R744 M745	D740-N742 VanDerWaalsContact OD1-CB 3.22Å; D740-N742 WeakPolarHBondContact OD1-CB 3.33Å; D740-N742 PolarHBondContact OD1-N 3.18Å; N742-R744 PolarHBondContact O-N 3.33Å; N742-R744 PolarHBondContact OD1-N 2.78Å; N742-M745 PolarHBondContact ND2-O 2.97Å; N742-M745 WeakPolarHBondContact OD1-CB 3.39Å; N742-M745 PolarHBondContact OD1-N 2.85Å
743	I	88	Confident	88.8	Confident	67 Å²	67	63.6 Å²	63.6	34%	0.344	30%	0.297	S	S	.	.	S	Bend	trans	-80.8	10.2	178.3	69.8	174.5	0	0	0	114.9	G741 W814 H844	G741-I743 PolarHBondContact O-N 3Å; I743-W814 HydrophobicContact CB-CZ2 4.16Å; I743-W814 HydrophobicContact CD1-CZ2 4.39Å; I743-W814 HydrophobicContact CG2-CH2 3.86Å; I743-W814 HydrophobicContact CG2-CZ2 4.01Å; I743-H844 HydrophobicContact CG2-CB 4.3Å; I743-H844 VanDerWaalsContact CG2-CD2 3.43Å; I743-H844 WeakPolarHBondContact CG2-CD2 3.45Å
744	R	89.3	Confident	89.1	Confident	195 Å²	195	57.2 Å²	57.2	74%	0.736	28%	0.276	S	S	*	.	S	Bend	trans	-131.4	-37.8	-169.7	-67.7	-171.4	176	177.9	-1.6	115.6	N742 Y746	N742-R744 PolarHBondContact O-N 3.33Å; N742-R744 PolarHBondContact OD1-N 2.78Å; R744-Y746 PolarHBondContact O-N 2.84Å
745	M	87.5	Confident	89.7	Confident	123 Å²	123	53.8 Å²	53.8	61%	0.606	26%	0.257	S	S	*	.			trans	-104.1	79.8	-173.4	-49.2	-177.2	-60.2	0	0	109.6	N742	N742-M745 PolarHBondContact ND2-O 2.97Å; N742-M745 WeakPolarHBondContact OD1-CB 3.39Å; N742-M745 PolarHBondContact OD1-N 2.85Å
746	Y	91.3	Very high	90.4	Very high	31 Å²	31	51 Å²	51	12%	0.122	25%	0.251	C	S	.	.			trans	-134.8	147.3	171.9	57.2	-79.7	0	0	0	109	R744 S750 G751 L778 W780 D781 L782 V843	R744-Y746 PolarHBondContact O-N 2.84Å; Y746-S750 WeakPolarHBondContact CA-O 3.47Å; Y746-G751 VanDerWaalsContact CB-O 3.27Å; Y746-G751 WeakPolarHBondContact CB-O 3.41Å; Y746-L778 HydrophobicContact CE1-CD2 4.14Å; Y746-W780 HydrophobicContact CD2-CE3 4.39Å; Y746-W780 HydrophobicContact CD2-CZ3 4.46Å; Y746-D781 PolarHBondContact OH-OD1 3.29Å; Y746-L782 HydrophobicContact CD2-CD1 3.96Å; Y746-L782 HydrophobicContact CD2-CG 4.15Å; Y746-L782 HydrophobicContact CE2-CD1 4Å; Y746-L782 HydrophobicContact CE2-CD2 3.8Å; Y746-L782 HydrophobicContact CE2-CG 3.66Å; Y746-V843 HydrophobicContact CD1-CG1 3.56Å; Y746-V843 HydrophobicContact CD2-CG1 3.9Å; Y746-V843 HydrophobicContact CD2-CG2 3.82Å; Y746-V843 HydrophobicContact CE1-CG1 3.87Å; Y746-V843 HydrophobicContact CE2-CG1 4.14Å; Y746-V843 HydrophobicContact CE2-CG2 3.9Å; Y746-V843 HydrophobicContact CG-CG1 3.61Å; Y746-V843 HydrophobicContact CG-CG2 4.36Å
747	D	91.4	Very high	91	Very high	57 Å²	57	51.2 Å²	51.2	31%	0.305	25%	0.252	S	S	.	.			trans	-151.1	-174.5	-174.3	86.7	-50.8	0	0	0	110	N749 S750 Y752 W780	D747-N749 PolarHBondContact O-N 2.76Å; D747-N749 WeakPolarHBondContact OD1-CA 3.37Å; D747-N749 WeakPolarHBondContact OD1-CB 3.48Å; D747-N749 PolarHBondContact OD1-N 3.08Å; D747-N749 WeakPolarHBondContact OD2-CB 3.33Å; D747-N749 PolarHBondContact OD2-N 2.92Å; D747-N749 VanDerWaalsContact OD2-N 3.16Å; D747-N749 PolarHBondContact OD2-ND2 3.06Å; D747-S750 PolarHBondContact N-O 3.19Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 VanDerWaalsContact O-O 3.14Å; D747-S750 WeakPolarHBondContact OD1-CB 3.48Å; D747-S750 PolarHBondContact OD1-N 2.9Å; D747-S750 PolarHBondContact OD1-OG 2.84Å; D747-Y752 WeakPolarHBondContact O-CE1 3.33Å; D747-W780 WeakPolarHBondContact O-CH2 3.39Å; D747-W780 VanDerWaalsContact O-CZ3 3.29Å; D747-W780 WeakPolarHBondContact O-CZ3 3.01Å
748	W	85.6	Confident	91	Very high	136 Å²	136	55.2 Å²	55.2	52%	0.515	29%	0.294	S	S	.	.	S	Bend	trans	-63.9	-8.5	177.3	-168.9	-107.7	0	0	0	113.8	R733 W780	R733-W748 PolarHBondContact NH2-O 3.48Å; W748-W780 HydrophobicContact CE3-CH2 4.01Å; W748-W780 AromaticContact CE3-CZ2 3.98Å; W748-W780 HydrophobicContact CE3-CZ2 3.98Å; W748-W780 HydrophobicContact CZ3-CZ2 4.48Å
749	N	87	Confident	90.7	Very high	75 Å²	75	61.3 Å²	61.3	40%	0.401	33%	0.327	S	S	.	.	S	Bend	trans	-107.5	-26	-179.5	-61.5	-72.9	0	0	0	114.6	R733 D747	R733-N749 WeakPolarHBondContact CD-O 3.33Å; R733-N749 WeakPolarHBondContact CG-O 3.14Å; R733-N749 PolarHBondContact NE-O 2.79Å; R733-N749 VanDerWaalsContact NE-O 3.15Å; R733-N749 PolarHBondContact NH1-OD1 3.21Å; R733-N749 PolarHBondContact NH2-OD1 3.1Å; D747-N749 PolarHBondContact O-N 2.76Å; D747-N749 WeakPolarHBondContact OD1-CA 3.37Å; D747-N749 WeakPolarHBondContact OD1-CB 3.48Å; D747-N749 PolarHBondContact OD1-N 3.08Å; D747-N749 WeakPolarHBondContact OD2-CB 3.33Å; D747-N749 PolarHBondContact OD2-N 2.92Å; D747-N749 VanDerWaalsContact OD2-N 3.16Å; D747-N749 PolarHBondContact OD2-ND2 3.06Å
750	S	90.3	Very high	90.6	Very high	37 Å²	37	63.2 Å²	63.2	26%	0.259	35%	0.346	S	S	.	.	S	Bend	trans	-159	169.1	-161.7	65.9	0	0	0	0	113.5	Y746 D747 Y752	Y746-S750 WeakPolarHBondContact CA-O 3.47Å; D747-S750 PolarHBondContact N-O 3.19Å; D747-S750 PolarHBondContact O-N 3.43Å; D747-S750 VanDerWaalsContact O-O 3.14Å; D747-S750 WeakPolarHBondContact OD1-CB 3.48Å; D747-S750 PolarHBondContact OD1-N 2.9Å; D747-S750 PolarHBondContact OD1-OG 2.84Å; S750-Y752 WeakPolarHBondContact O-CD1 3.48Å
751	G	90.4	Very high	90.9	Very high	4 Å²	4	60 Å²	60	4%	0.041	33%	0.329	C	S	.	.	S	Bend	trans	75.5	23.4	176.1	0	0	0	0	0	115.2	Y746 V843	Y746-G751 VanDerWaalsContact CB-O 3.27Å; Y746-G751 WeakPolarHBondContact CB-O 3.41Å; G751-V843 WeakPolarHBondContact O-CG1 3.24Å
752	Y	93.3	Very high	91.3	Very high	28 Å²	28	58.1 Å²	58.1	11%	0.11	31%	0.31	C	S	.	.			trans	-147.2	160.4	171.5	65.8	-90	0	0	0	111.4	S732 D747 S750 C754 W780 H841 L842	S732-Y752 VanDerWaalsContact CB-O 3.24Å; S732-Y752 WeakPolarHBondContact CB-O 3.48Å; S732-Y752 PolarHBondContact OG-O 2.94Å; D747-Y752 WeakPolarHBondContact O-CE1 3.33Å; S750-Y752 WeakPolarHBondContact O-CD1 3.48Å; Y752-C754 HydrophobicContact CD2-CB 4.12Å; Y752-C754 HydrophobicContact CE2-CB 4.06Å; Y752-W780 HydrophobicContact CD1-CE3 4.33Å; Y752-W780 AromaticContact CD1-CZ3 3.95Å; Y752-W780 HydrophobicContact CD1-CZ3 3.95Å; Y752-W780 HydrophobicContact CE1-CZ3 4.12Å; Y752-H841 HydrophobicContact CD2-CB 4.29Å; Y752-H841 AromaticContact CD2-CD2 3.76Å; Y752-H841 AromaticContact CE2-CD2 3.48Å; Y752-H841 VanDerWaalsContact CE2-CD2 3.48Å; Y752-H841 WeakPolarHBondContact CE2-CD2 3.45Å; Y752-H841 AromaticContact CZ-CD2 3.96Å; Y752-L842 WeakPolarHBondContact CA-O 3.37Å
753	T	95.6	Very high	91.8	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.9	166.8	-57.4	0	0	0	0	109.2	V727 V731 I762 L842	V727-T753 HydrophobicContact CG1-CG2 4.26Å; V731-T753 CarbonylContact O-C 3.52Å; V731-T753 WeakPolarHBondContact O-CA 3.3Å; T753-I762 HydrophobicContact CG2-CD1 4.11Å; T753-I762 HydrophobicContact CG2-CG1 4.05Å; T753-I762 HydrophobicContact CG2-CG2 4.5Å; T753-I762 WeakPolarHBondContact O-CD1 3.35Å; T753-L842 PolarHBondContact N-O 2.98Å; T753-L842 PolarHBondContact O-N 2.93Å
754	C	94.7	Very high	92.2	Very high	20 Å²	20	53.7 Å²	53.7	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	165.4	-175.7	64.5	0	0	0	0	113.9	G730 V731 Y752 V839 F840	G730-C754 WeakPolarHBondContact CA-O 3.42Å; V731-C754 PolarHBondContact N-O 2.94Å; V731-C754 PolarHBondContact O-N 2.96Å; V731-C754 PolarHBondContact O-SG 2.88Å; Y752-C754 HydrophobicContact CD2-CB 4.12Å; Y752-C754 HydrophobicContact CE2-CB 4.06Å; C754-V839 HydrophobicContact CB-CG1 3.64Å; C754-F840 WeakPolarHBondContact CA-O 3.41Å; C754-F840 WeakPolarHBondContact CB-O 3.37Å
755	H	96.2	Very high	92.5	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.2	164.2	75.5	88.7	0	0	0	110.4	G831 V839 F840	H755-G831 PolarHBondContact CE1-N 2.89Å; H755-G831 PolarHBondContact NE2-N 3.09Å; H755-V839 WeakPolarHBondContact O-CA 3.4Å; H755-F840 AromaticContact CD2-CD1 3.87Å; H755-F840 PolarHBondContact N-O 2.86Å; H755-F840 VanDerWaalsContact N-O 3.16Å; H755-F840 AromaticContact NE2-CD1 3.78Å; H755-F840 AromaticContact NE2-CG 3.92Å; H755-F840 PolarHBondContact O-N 3.06Å
756	Q	95.6	Very high	92.9	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138	174.7	-168.3	173.8	4.6	0	0	110.3	N759	Q756-N759 CarbonylContact O-C 3.39Å; Q756-N759 PolarHBondContact O-N 2.91Å
757	L	94.3	Very high	93.1	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	143.3	174.6	-65.7	-178.5	0	0	0	110.4	N759 G831 N834 D838 F840	L757-N759 PolarHBondContact O-N 3.33Å; L757-G831 VanDerWaalsContact CD2-O 3.31Å; L757-G831 WeakPolarHBondContact CD2-O 3.22Å; L757-N834 HydrophobicContact CD1-CB 4.09Å; L757-D838 PolarHBondContact N-O 2.93Å; L757-F840 HydrophobicContact CD2-CB 3.89Å
758	G	89.8	Confident	93.3	Very high	87 Å²	87	34.6 Å²	34.6	90%	0.897	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	-21.1	-177.2	0	0	0	0	0	115.8
759	N	87.2	Confident	93.9	Very high	129 Å²	129	28.1 Å²	28.1	69%	0.69	18%	0.18	S	C	*	.	B	Isolated β-bridge	trans	-138.4	82.2	178	-172.9	23.1	0	0	0	112	Q756 L757	Q756-N759 CarbonylContact O-C 3.39Å; Q756-N759 PolarHBondContact O-N 2.91Å; L757-N759 PolarHBondContact O-N 3.33Å
760	G	90.6	Very high	94.3	Very high	39 Å²	39	25 Å²	25	40%	0.402	16%	0.163	S	C	.	.			trans	151.4	-179.1	172.8	0	0	0	0	0	113.6
761	A	95.8	Very high	94.5	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.025	16%	0.155	C	C	.	.			trans	-154.5	168.4	168.7	0	0	0	0	0	108.9	G730 V763 R828 V830	G730-A761 PolarHBondContact N-O 3.15Å; A761-V763 HydrophobicContact CB-CG2 4.35Å; A761-R828 HydrophobicContact CB-CG 4Å; A761-V830 HydrophobicContact CB-CG2 3.99Å
762	I	96.8	Very high	94.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.8	160.1	-71.3	165.7	0	0	0	107.4	E729 L738 T753 R828 V829 F840 L842	E729-I762 WeakPolarHBondContact O-CA 3.12Å; L738-I762 HydrophobicContact CD2-CG2 3.47Å; L738-I762 VanDerWaalsContact CD2-CG2 3.47Å; T753-I762 HydrophobicContact CG2-CD1 4.11Å; T753-I762 HydrophobicContact CG2-CG1 4.05Å; T753-I762 HydrophobicContact CG2-CG2 4.5Å; T753-I762 WeakPolarHBondContact O-CD1 3.35Å; I762-R828 CarbonylContact O-C 3.51Å; I762-R828 WeakPolarHBondContact O-CA 3.35Å; I762-V829 PolarHBondContact N-O 3.32Å; I762-V829 PolarHBondContact O-N 2.86Å; I762-F840 HydrophobicContact CD1-CD1 4.15Å; I762-F840 HydrophobicContact CD1-CE1 4.38Å; I762-L842 HydrophobicContact CD1-CB 3.68Å; I762-L842 HydrophobicContact CD1-CD2 4.18Å; I762-L842 HydrophobicContact CG2-CD2 4.28Å
763	V	96.7	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.6	178.1	179.3	0	0	0	0	109.8	L728 E729 A761 W800 I827 R828	L728-V763 HydrophobicContact CB-CB 4.42Å; L728-V763 HydrophobicContact CB-CG1 4.3Å; L728-V763 HydrophobicContact CD1-CG1 4.4Å; L728-V763 PolarHBondContact N-O 3.35Å; E729-V763 HydrophobicContact CB-CB 3.81Å; E729-V763 HydrophobicContact CB-CG2 3.95Å; E729-V763 HydrophobicContact CG-CB 4.02Å; E729-V763 HydrophobicContact CG-CG2 4.09Å; E729-V763 PolarHBondContact N-O 2.86Å; E729-V763 PolarHBondContact O-N 2.88Å; E729-V763 WeakPolarHBondContact OE1-CG2 3.41Å; E729-V763 WeakPolarHBondContact OE2-CG2 3.34Å; A761-V763 HydrophobicContact CB-CG2 4.35Å; V763-W800 HydrophobicContact CG1-CH2 4.22Å; V763-I827 CarbonylContact C-O 3.11Å; V763-I827 WeakPolarHBondContact CA-O 3.27Å; V763-R828 HydrophobicContact CG2-CB 3.96Å; V763-R828 HydrophobicContact CG2-CG 3.79Å
764	V	96.2	Very high	94.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.5	176.4	178.2	0	0	0	0	108.9	T726 V727 L738 I739 F826 I827 L845	T726-V764 CarbonylContact O-C 3.6Å; T726-V764 VanDerWaalsContact O-CA 3.32Å; T726-V764 WeakPolarHBondContact O-CA 3.48Å; T726-V764 WeakPolarHBondContact O-CG1 3.32Å; V727-V764 HydrophobicContact CG2-CG2 4.42Å; L738-V764 HydrophobicContact CD2-CG2 3.69Å; I739-V764 HydrophobicContact CG2-CG1 4.46Å; V764-F826 CarbonylContact O-C 3.5Å; V764-F826 WeakPolarHBondContact O-CA 3.07Å; V764-I827 PolarHBondContact N-O 3.2Å; V764-I827 PolarHBondContact O-N 2.83Å; V764-L845 HydrophobicContact CB-CD2 4.17Å; V764-L845 HydrophobicContact CG1-CD2 4.27Å; V764-L845 HydrophobicContact CG2-CD2 3.84Å
765	Q	96.2	Very high	94.9	Very high	2 Å²	2	28 Å²	28	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.8	169.8	178.9	179.4	15.6	0	0	109	S637 M661 A725 T726 L728 F826	S637-Q765 PolarHBondContact OG-NE2 3.22Å; M661-Q765 PolarHBondContact O-NE2 2.76Å; A725-Q765 CarbonylContact C-O 3.51Å; A725-Q765 VanDerWaalsContact CA-O 3.3Å; A725-Q765 WeakPolarHBondContact CA-O 3.39Å; T726-Q765 HydrophobicContact CG2-CB 4.02Å; T726-Q765 PolarHBondContact N-O 3.27Å; T726-Q765 PolarHBondContact O-N 3.21Å; L728-Q765 HydrophobicContact CD1-CB 3.78Å; L728-Q765 HydrophobicContact CD2-CB 4.37Å; L728-Q765 HydrophobicContact CG-CB 3.91Å; Q765-F826 HydrophobicContact CB-CD1 3.8Å; Q765-F826 HydrophobicContact CB-CE1 3.83Å; Q765-F826 HydrophobicContact CG-CD1 3.92Å; Q765-F826 HydrophobicContact CG-CE1 3.55Å; Q765-F826 HydrophobicContact CG-CZ 4.29Å
766	L	96.8	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	154.4	169.8	-54.1	179.5	0	0	0	109.4	V718 A719 A725 Q768 F770 L772 V824 T825	V718-L766 HydrophobicContact CG2-CD1 4.19Å; V718-L766 HydrophobicContact CG2-CD2 4.49Å; A719-L766 HydrophobicContact CB-CD2 4.04Å; A725-L766 HydrophobicContact CB-CD2 4.18Å; L766-Q768 PolarHBondContact O-N 3.14Å; L766-F770 HydrophobicContact CB-CD2 4.1Å; L766-F770 HydrophobicContact CB-CE2 4.19Å; L766-F770 HydrophobicContact CD1-CD2 3.94Å; L766-L772 HydrophobicContact CD1-CD1 3.61Å; L766-V824 HydrophobicContact CD1-CG1 4.26Å; L766-T825 PolarHBondContact N-O 3.41Å
767	A	95.6	Very high	94.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-31.6	-174.7	0	0	0	0	0	114.3	C662 R663 W665 Q666 H723	C662-A767 CarbonylContact C-O 3.59Å; C662-A767 VanDerWaalsContact CA-O 3.27Å; C662-A767 WeakPolarHBondContact CA-O 3.21Å; R663-A767 PolarHBondContact N-O 3.35Å; R663-A767 WeakPolarHBondContact O-CA 3.43Å; R663-A767 WeakPolarHBondContact O-CB 3.44Å; W665-A767 WeakPolarHBondContact O-CB 3.37Å; Q666-A767 PolarHBondContact NE2-O 3.35Å; H723-A767 VanDerWaalsContact O-CB 3.24Å; H723-A767 WeakPolarHBondContact O-CB 3.42Å
768	Q	95.5	Very high	95	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.6	-175.9	62.9	-173.2	54.1	0	0	108.5	Y657 T667 L766 F770	Y657-Q768 HydrophobicContact CE2-CB 4Å; T667-Q768 PolarHBondContact O-NE2 3.2Å; T667-Q768 PolarHBondContact O-OE1 2.72Å; L766-Q768 PolarHBondContact O-N 3.14Å; Q768-F770 HydrophobicContact CG-CD1 4.39Å; Q768-F770 HydrophobicContact CG-CD2 4.27Å; Q768-F770 HydrophobicContact CG-CE1 3.72Å; Q768-F770 HydrophobicContact CG-CE2 3.6Å; Q768-F770 HydrophobicContact CG-CZ 3.3Å; Q768-F770 WeakPolarHBondContact O-CD2 3.38Å; Q768-F770 WeakPolarHBondContact O-CE2 3.37Å
769	P	96.4	Very high	95.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135	172.8	26.2	-35.8	0	0	0	111.5	Y657 Y660 F711	Y657-P769 HydrophobicContact CD1-CG 4.11Å; Y657-P769 HydrophobicContact CD2-CG 4.39Å; Y657-P769 HydrophobicContact CE1-CG 3.9Å; Y657-P769 HydrophobicContact CE2-CG 4.19Å; Y657-P769 HydrophobicContact CG-CG 4.37Å; Y660-P769 HydrophobicContact CD1-CB 3.77Å; Y660-P769 HydrophobicContact CD1-CG 3.79Å; Y660-P769 HydrophobicContact CE1-CB 4.2Å; Y660-P769 HydrophobicContact CE1-CG 4.41Å; Y660-P769 HydrophobicContact CG-CB 4.36Å; Y660-P769 HydrophobicContact CG-CG 3.86Å; F711-P769 HydrophobicContact CD1-CB 4.08Å; F711-P769 HydrophobicContact CD1-CG 3.9Å; F711-P769 HydrophobicContact CE1-CB 4.09Å; F711-P769 HydrophobicContact CE1-CG 3.69Å
770	F	96	Very high	95.7	Very high	9 Å²	9	13.3 Å²	13.3	4%	0.039	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149	175.7	-66.1	-75.1	0	0	0	111.5	M712 P714 V718 L766 Q768 L772 L823 V824	M712-F770 HydrophobicContact CB-CD1 4.39Å; M712-F770 HydrophobicContact CE-CD1 3.97Å; M712-F770 HydrophobicContact CE-CE1 3.58Å; P714-F770 HydrophobicContact CG-CB 4.28Å; P714-F770 HydrophobicContact CG-CD1 4.22Å; P714-F770 HydrophobicContact CG-CG 4.43Å; V718-F770 HydrophobicContact CB-CD2 4.14Å; V718-F770 HydrophobicContact CB-CE2 3.73Å; V718-F770 HydrophobicContact CB-CZ 3.96Å; V718-F770 HydrophobicContact CG1-CD1 4.37Å; V718-F770 HydrophobicContact CG1-CD2 4.44Å; V718-F770 HydrophobicContact CG1-CE1 3.93Å; V718-F770 HydrophobicContact CG1-CE2 3.99Å; V718-F770 HydrophobicContact CG1-CZ 3.7Å; V718-F770 HydrophobicContact CG2-CD2 3.71Å; V718-F770 HydrophobicContact CG2-CE2 3.84Å; V718-F770 HydrophobicContact CG2-CG 4.13Å; V718-F770 HydrophobicContact CG2-CZ 4.39Å; L766-F770 HydrophobicContact CB-CD2 4.1Å; L766-F770 HydrophobicContact CB-CE2 4.19Å; L766-F770 HydrophobicContact CD1-CD2 3.94Å; Q768-F770 HydrophobicContact CG-CD1 4.39Å; Q768-F770 HydrophobicContact CG-CD2 4.27Å; Q768-F770 HydrophobicContact CG-CE1 3.72Å; Q768-F770 HydrophobicContact CG-CE2 3.6Å; Q768-F770 HydrophobicContact CG-CZ 3.3Å; Q768-F770 WeakPolarHBondContact O-CD2 3.38Å; Q768-F770 WeakPolarHBondContact O-CE2 3.37Å; F770-L772 HydrophobicContact CB-CD1 4.16Å; F770-L772 HydrophobicContact CB-CD2 4.08Å; F770-L772 HydrophobicContact CB-CG 3.93Å; F770-L772 PolarHBondContact O-N 2.9Å; F770-L823 WeakPolarHBondContact O-CA 3.35Å; F770-V824 PolarHBondContact N-O 2.86Å; F770-V824 VanDerWaalsContact N-O 3.09Å; F770-V824 PolarHBondContact O-N 3.24Å
771	L	95.3	Very high	95.8	Very high	19 Å²	19	13.1 Å²	13.1	10%	0.099	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105	171.9	-77.2	171.6	0	0	0	110.4	V708 F711 M712 V713 L821 Q822 L823	V708-L771 HydrophobicContact CB-CD1 3.64Å; V708-L771 HydrophobicContact CG2-CD1 4.18Å; F711-L771 HydrophobicContact CB-CD1 3.86Å; F711-L771 HydrophobicContact CB-CG 3.88Å; M712-L771 PolarHBondContact O-N 2.96Å; V713-L771 HydrophobicContact CG2-CB 3.85Å; V713-L771 HydrophobicContact CG2-CD1 4.06Å; L771-L821 HydrophobicContact CB-CD1 4.04Å; L771-L821 HydrophobicContact CB-CG 4.38Å; L771-Q822 WeakPolarHBondContact CA-O 3.39Å; L771-L823 HydrophobicContact CD2-CD2 3.56Å; L771-L823 HydrophobicContact CD2-CG 3.79Å; L771-L823 HydrophobicContact CG-CD2 3.74Å
772	L	95.5	Very high	95.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.3	-170.8	-60.7	173.4	0	0	0	111.3	P714 V718 L766 F770 F819 L821 Q822 V824 C847 P848	P714-L772 HydrophobicContact CG-CD2 3.45Å; P714-L772 VanDerWaalsContact CG-CD2 3.45Å; V718-L772 HydrophobicContact CG2-CD2 4.46Å; L766-L772 HydrophobicContact CD1-CD1 3.61Å; F770-L772 HydrophobicContact CB-CD1 4.16Å; F770-L772 HydrophobicContact CB-CD2 4.08Å; F770-L772 HydrophobicContact CB-CG 3.93Å; F770-L772 PolarHBondContact O-N 2.9Å; L772-F819 VanDerWaalsContact C-CE2 3.46Å; L772-F819 HydrophobicContact CB-CE2 4.01Å; L772-F819 HydrophobicContact CB-CZ 3.97Å; L772-F819 WeakPolarHBondContact O-CE2 3.32Å; L772-L821 WeakPolarHBondContact O-CA 3.28Å; L772-Q822 PolarHBondContact N-O 2.9Å; L772-Q822 PolarHBondContact O-N 3.4Å; L772-Q822 VanDerWaalsContact O-N 3.07Å; L772-V824 HydrophobicContact CB-CB 4.41Å; L772-V824 HydrophobicContact CB-CG2 4.14Å; L772-V824 HydrophobicContact CD1-CB 3.65Å; L772-V824 HydrophobicContact CD1-CG1 3.93Å; L772-V824 HydrophobicContact CD1-CG2 4.25Å; L772-V824 HydrophobicContact CG-CB 4.32Å; L772-C847 WeakPolarHBondContact CD1-SG 3.37Å; L772-P848 HydrophobicContact CD2-CB 4.23Å; L772-P848 HydrophobicContact CD2-CG 4.34Å
773	R	94.3	Very high	95.5	Very high	121 Å²	121	20.1 Å²	20.1	46%	0.457	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-2.9	178.4	71.3	175.9	81	177.5	4.9	114.3	K818 F819 L821	R773-K818 WeakPolarHBondContact O-CA 3.31Å; R773-F819 CarbonylContact C-O 3.5Å; R773-F819 WeakPolarHBondContact CA-O 3.47Å; R773-F819 WeakPolarHBondContact CB-O 3.34Å; R773-F819 PolarHBondContact O-N 2.95Å; R773-F819 VanDerWaalsContact O-O 3.06Å; R773-L821 HydrophobicContact CB-CB 4.44Å; R773-L821 HydrophobicContact CB-CD1 4.04Å
774	S	95.6	Very high	95.4	Very high	13 Å²	13	25.1 Å²	25.1	9%	0.091	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.1	-178.1	64.9	0	0	0	0	110.8	I817 C847 P848 Y849	S774-I817 CarbonylContact C-O 3.55Å; S774-I817 VanDerWaalsContact CA-O 3.25Å; S774-I817 WeakPolarHBondContact CA-O 3.3Å; S774-C847 PolarHBondContact O-SG 3.19Å; S774-P848 WeakPolarHBondContact O-CA 3.47Å; S774-Y849 PolarHBondContact OG-N 2.85Å; S774-Y849 VanDerWaalsContact OG-N 3.1Å; S774-Y849 PolarHBondContact OG-O 3.01Å
775	M	96.4	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.3	161	63.1	179.8	71.7	0	0	109.1	V791 V793 I817 F819 I827 E846 C847	M775-V791 HydrophobicContact CE-CG1 4.41Å; M775-V791 HydrophobicContact SD-CG1 3.91Å; M775-V793 HydrophobicContact CE-CG1 3.9Å; M775-I817 HydrophobicContact CG-CB 3.85Å; M775-I817 HydrophobicContact CG-CD1 4.31Å; M775-I817 HydrophobicContact CG-CG2 4.37Å; M775-I817 PolarHBondContact N-O 2.89Å; M775-I817 PolarHBondContact O-N 3.09Å; M775-I817 VanDerWaalsContact O-O 3.09Å; M775-I817 HydrophobicContact SD-CD1 4.45Å; M775-F819 HydrophobicContact CE-CE1 3.69Å; M775-F819 HydrophobicContact CE-CZ 3.97Å; M775-F819 HydrophobicContact CG-CE1 4.23Å; M775-I827 HydrophobicContact CE-CD1 4.06Å; M775-I827 HydrophobicContact CE-CG1 4.19Å; M775-I827 HydrophobicContact CE-CG2 3.96Å; M775-I827 HydrophobicContact SD-CG2 4.08Å; M775-E846 CarbonylContact C-O 3.58Å; M775-E846 WeakPolarHBondContact CA-O 3.35Å; M775-E846 VanDerWaalsContact CB-O 3.31Å; M775-E846 WeakPolarHBondContact CB-O 3.22Å; M775-C847 HydrophobicContact CB-CB 3.96Å
776	R	95.5	Very high	95.3	Very high	56 Å²	56	27.1 Å²	27.1	21%	0.211	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.4	163.5	69.1	167.8	177.7	158.3	6.6	110.7	W814 Q815 I816 E846 Y849	R776-W814 HydrophobicContact CB-CE3 4.46Å; R776-W814 HydrophobicContact CG-CE3 4.13Å; R776-W814 HydrophobicContact CG-CZ3 3.88Å; R776-Q815 CarbonylContact C-O 3.55Å; R776-Q815 WeakPolarHBondContact CA-O 3.33Å; R776-Q815 WeakPolarHBondContact CB-O 3.44Å; R776-I816 HydrophobicContact CB-CG1 4.13Å; R776-E846 HydrophobicContact CG-CB 3.97Å; R776-E846 HydrophobicContact CG-CG 4.4Å; R776-E846 IonicContact CZ-OE1 3.36Å; R776-E846 IonicContact CZ-OE2 2.72Å; R776-E846 VanDerWaalsContact CZ-OE2 3.23Å; R776-E846 PolarHBondContact N-O 2.72Å; R776-E846 VanDerWaalsContact NE-CD 3.3Å; R776-E846 IonicContact NE-OE1 3.34Å; R776-E846 IonicContact NE-OE2 2.72Å; R776-E846 PolarHBondContact NE-OE2 2.79Å; R776-E846 IonicContact NH2-OE1 2.71Å; R776-E846 PolarHBondContact NH2-OE1 3.29Å; R776-E846 IonicContact NH2-OE2 3.97Å; R776-E846 PolarHBondContact NH2-OE2 3.11Å; R776-E846 PolarHBondContact O-N 2.72Å; R776-Y849 HydrophobicContact CB-CD2 4.36Å; R776-Y849 HydrophobicContact CB-CG 4.15Å; R776-Y849 HydrophobicContact CG-CD2 3.71Å; R776-Y849 HydrophobicContact CG-CE2 4.5Å; R776-Y849 HydrophobicContact CG-CG 3.95Å
777	F	96.6	Very high	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.9	170.3	54.2	-113.4	0	0	0	111.8	L779 Y789 V791 W814 Q815 I817 V829 L842 H844 L845	F777-L779 HydrophobicContact CD2-CD2 4.37Å; F777-L779 HydrophobicContact CD2-CG 4.26Å; F777-L779 HydrophobicContact CE2-CD2 3.94Å; F777-L779 HydrophobicContact CE2-CG 4Å; F777-Y789 HydrophobicContact CE1-CE2 4.45Å; F777-Y789 HydrophobicContact CE2-CE1 4.2Å; F777-Y789 HydrophobicContact CE2-CE2 4.43Å; F777-Y789 HydrophobicContact CZ-CD1 4.42Å; F777-Y789 AromaticContact CZ-CD2 3.89Å; F777-Y789 HydrophobicContact CZ-CD2 3.89Å; F777-Y789 HydrophobicContact CZ-CE1 4.16Å; F777-Y789 AromaticContact CZ-CE2 3.6Å; F777-Y789 HydrophobicContact CZ-CE2 3.6Å; F777-Y789 HydrophobicContact CZ-CG 4.3Å; F777-Y789 AromaticContact CZ-CZ 3.76Å; F777-V791 HydrophobicContact CE1-CG2 3.91Å; F777-V791 HydrophobicContact CZ-CG2 4.19Å; F777-W814 CarbonylContact O-C 3.49Å; F777-W814 WeakPolarHBondContact O-CA 3.24Å; F777-Q815 HydrophobicContact CD2-CB 3.82Å; F777-Q815 HydrophobicContact CD2-CG 3.87Å; F777-Q815 HydrophobicContact CE2-CB 3.62Å; F777-Q815 HydrophobicContact CE2-CG 3.46Å; F777-Q815 VanDerWaalsContact CE2-CG 3.46Å; F777-Q815 HydrophobicContact CG-CB 4.48Å; F777-Q815 HydrophobicContact CZ-CB 4.11Å; F777-Q815 HydrophobicContact CZ-CG 4.24Å; F777-Q815 PolarHBondContact N-O 3.28Å; F777-Q815 PolarHBondContact O-N 3Å; F777-I817 HydrophobicContact CD1-CD1 4.34Å; F777-I817 HydrophobicContact CE1-CD1 3.56Å; F777-I817 HydrophobicContact CZ-CD1 4.08Å; F777-V829 HydrophobicContact CE1-CG2 4.29Å; F777-V829 HydrophobicContact CZ-CG1 4.48Å; F777-L842 HydrophobicContact CB-CD1 3.96Å; F777-L842 HydrophobicContact CD1-CD1 4.49Å; F777-L842 HydrophobicContact CD2-CD1 3.37Å; F777-L842 HydrophobicContact CE2-CD1 3.84Å; F777-L842 HydrophobicContact CG-CD1 3.74Å; F777-H844 CarbonylContact C-O 3.57Å; F777-H844 WeakPolarHBondContact CA-O 3.37Å; F777-H844 WeakPolarHBondContact CB-O 3.26Å; F777-L845 HydrophobicContact CB-CD1 4.07Å; F777-L845 HydrophobicContact CD1-CD1 4.26Å
778	L	96.2	Very high	95.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.8	176.7	-179.9	55.3	0	0	0	109.4	Y746 W814 V843 H844	Y746-L778 HydrophobicContact CE1-CD2 4.14Å; L778-W814 HydrophobicContact CB-CD2 4.15Å; L778-W814 HydrophobicContact CB-CE3 4.09Å; L778-W814 HydrophobicContact CB-CH2 4.29Å; L778-W814 HydrophobicContact CB-CZ2 4.29Å; L778-W814 HydrophobicContact CB-CZ3 4.16Å; L778-W814 HydrophobicContact CD1-CD2 4.15Å; L778-W814 HydrophobicContact CD1-CG 4.09Å; L778-W814 HydrophobicContact CD2-CZ2 4.19Å; L778-V843 HydrophobicContact CB-CB 4.08Å; L778-V843 HydrophobicContact CD2-CB 4.07Å; L778-V843 HydrophobicContact CD2-CG1 3.78Å; L778-V843 HydrophobicContact CG-CB 3.88Å; L778-V843 HydrophobicContact CG-CG1 4.18Å; L778-V843 HydrophobicContact CG-CG2 4.3Å; L778-V843 WeakPolarHBondContact O-CB 3.42Å; L778-V843 PolarHBondContact O-N 2.73Å; L778-H844 HydrophobicContact CB-CB 4.34Å; L778-H844 PolarHBondContact N-O 3.1Å
779	L	96.6	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	150.2	162.8	-65.6	169.4	0	0	0	109.2	F777 D781 Y787 Y789 C811 S813 Q815 F840 L842	F777-L779 HydrophobicContact CD2-CD2 4.37Å; F777-L779 HydrophobicContact CD2-CG 4.26Å; F777-L779 HydrophobicContact CE2-CD2 3.94Å; F777-L779 HydrophobicContact CE2-CG 4Å; L779-D781 PolarHBondContact O-N 3.09Å; L779-Y787 HydrophobicContact CB-CD2 4.14Å; L779-Y787 HydrophobicContact CD1-CD2 4.43Å; L779-Y787 HydrophobicContact CD2-CD2 4.23Å; L779-Y787 HydrophobicContact CD2-CG 4.3Å; L779-Y789 HydrophobicContact CD1-CD1 4.34Å; L779-Y789 HydrophobicContact CD1-CE1 4.12Å; L779-C811 HydrophobicContact CD1-CB 3.65Å; L779-S813 WeakPolarHBondContact CB-O 3.41Å; L779-S813 PolarHBondContact N-O 2.68Å; L779-S813 VanDerWaalsContact N-O 3.16Å; L779-S813 WeakPolarHBondContact O-CA 3.45Å; L779-Q815 HydrophobicContact CD1-CG 3.62Å; L779-Q815 HydrophobicContact CG-CG 3.96Å; L779-F840 HydrophobicContact CD2-CE2 3.73Å; L779-F840 HydrophobicContact CD2-CZ 3.55Å; L779-L842 HydrophobicContact CD2-CD1 4.04Å
780	W	94.3	Very high	95.6	Very high	8 Å²	8	27.9 Å²	27.9	3%	0.03	15%	0.145	C	C	.	.			trans	-53.8	128	173.8	175.5	-76.2	0	0	0	112	Y746 D747 W748 Y752 L782 D783 R785 Y787 H841 V843	Y746-W780 HydrophobicContact CD2-CE3 4.39Å; Y746-W780 HydrophobicContact CD2-CZ3 4.46Å; D747-W780 WeakPolarHBondContact O-CH2 3.39Å; D747-W780 VanDerWaalsContact O-CZ3 3.29Å; D747-W780 WeakPolarHBondContact O-CZ3 3.01Å; W748-W780 HydrophobicContact CE3-CH2 4.01Å; W748-W780 AromaticContact CE3-CZ2 3.98Å; W748-W780 HydrophobicContact CE3-CZ2 3.98Å; W748-W780 HydrophobicContact CZ3-CZ2 4.48Å; Y752-W780 HydrophobicContact CD1-CE3 4.33Å; Y752-W780 AromaticContact CD1-CZ3 3.95Å; Y752-W780 HydrophobicContact CD1-CZ3 3.95Å; Y752-W780 HydrophobicContact CE1-CZ3 4.12Å; W780-L782 HydrophobicContact CH2-CD1 3.85Å; W780-L782 HydrophobicContact CZ2-CB 4Å; W780-L782 HydrophobicContact CZ2-CD1 3.97Å; W780-L782 HydrophobicContact CZ2-CG 4.34Å; W780-L782 HydrophobicContact CZ3-CD1 4.29Å; W780-D783 PolarHBondContact NE1-OD2 3.23Å; W780-R785 VanDerWaalsContact CD1-CD 3.46Å; W780-Y787 HydrophobicContact CB-CE2 3.95Å; W780-H841 HydrophobicContact CB-CB 4.1Å; W780-V843 HydrophobicContact CB-CG2 4.46Å
781	D	93.6	Very high	95.7	Very high	34 Å²	34	27.5 Å²	27.5	18%	0.182	14%	0.143	C	C	.	.			trans	-137.3	5.5	-176.1	63.1	1.9	0	0	0	115	Y746 L779 D783 R812 S813	Y746-D781 PolarHBondContact OH-OD1 3.29Å; L779-D781 PolarHBondContact O-N 3.09Å; D781-D783 CarbonylContact C-O 3.57Å; D781-D783 PolarHBondContact O-N 3.13Å; D781-R812 HydrophobicContact CB-CG 4.03Å; D781-R812 PolarHBondContact O-NH2 3.25Å; D781-S813 WeakPolarHBondContact OD2-CB 3.46Å; D781-S813 PolarHBondContact OD2-OG 2.68Å
782	L	93.5	Very high	95.8	Very high	97 Å²	97	29.9 Å²	29.9	51%	0.508	15%	0.152	S	C	.	.	S	Bend	trans	-61.2	-15.1	174.8	-59.1	-176.3	0	0	0	113.8	Y746 W780	Y746-L782 HydrophobicContact CD2-CD1 3.96Å; Y746-L782 HydrophobicContact CD2-CG 4.15Å; Y746-L782 HydrophobicContact CE2-CD1 4Å; Y746-L782 HydrophobicContact CE2-CD2 3.8Å; Y746-L782 HydrophobicContact CE2-CG 3.66Å; W780-L782 HydrophobicContact CH2-CD1 3.85Å; W780-L782 HydrophobicContact CZ2-CB 4Å; W780-L782 HydrophobicContact CZ2-CD1 3.97Å; W780-L782 HydrophobicContact CZ2-CG 4.34Å; W780-L782 HydrophobicContact CZ3-CD1 4.29Å
783	D	92.9	Very high	96	Very high	54 Å²	54	30 Å²	30	29%	0.289	15%	0.152	S	C	.	.	S	Bend	trans	-133.9	177.8	168.1	65.5	61	0	0	0	111	W780 D781 R785 R812	W780-D783 PolarHBondContact NE1-OD2 3.23Å; D781-D783 CarbonylContact C-O 3.57Å; D781-D783 PolarHBondContact O-N 3.13Å; D783-R785 VanDerWaalsContact CG-NE 3.34Å; D783-R785 PolarHBondContact O-N 3.09Å; D783-R785 WeakPolarHBondContact OD1-CB 3.48Å; D783-R785 WeakPolarHBondContact OD1-CG 3.44Å; D783-R785 IonicContact OD1-CZ 2.69Å; D783-R785 PolarHBondContact OD1-N 2.85Å; D783-R785 IonicContact OD1-NE 2.99Å; D783-R785 PolarHBondContact OD1-NE 3.24Å; D783-R785 IonicContact OD1-NH2 2.9Å; D783-R785 IonicContact OD2-CZ 3.66Å; D783-R785 IonicContact OD2-NE 3.75Å; D783-R785 PolarHBondContact OD2-NE 2.85Å; D783-R785 IonicContact OD2-NH2 3.23Å; D783-R785 PolarHBondContact OD2-NH2 2.86Å; D783-R812 PolarHBondContact O-NE 2.79Å; D783-R812 PolarHBondContact O-NH2 3.45Å
784	S	93.5	Very high	96.1	Very high	105 Å²	105	24.4 Å²	24.4	73%	0.734	13%	0.132	S	C	*	.	S	Bend	trans	-76.1	6.7	-172.5	55.9	0	0	0	0	115.7
785	R	94.4	Very high	96	Very high	14 Å²	14	26.5 Å²	26.5	5%	0.053	14%	0.142	C	C	.	.			trans	-62.9	154	-179	73.9	-175.5	66	-176.6	-0.7	113.4	W780 D783 Y787 R812 T835 A836	W780-R785 VanDerWaalsContact CD1-CD 3.46Å; D783-R785 VanDerWaalsContact CG-NE 3.34Å; D783-R785 PolarHBondContact O-N 3.09Å; D783-R785 WeakPolarHBondContact OD1-CB 3.48Å; D783-R785 WeakPolarHBondContact OD1-CG 3.44Å; D783-R785 IonicContact OD1-CZ 2.69Å; D783-R785 PolarHBondContact OD1-N 2.85Å; D783-R785 IonicContact OD1-NE 2.99Å; D783-R785 PolarHBondContact OD1-NE 3.24Å; D783-R785 IonicContact OD1-NH2 2.9Å; D783-R785 IonicContact OD2-CZ 3.66Å; D783-R785 IonicContact OD2-NE 3.75Å; D783-R785 PolarHBondContact OD2-NE 2.85Å; D783-R785 IonicContact OD2-NH2 3.23Å; D783-R785 PolarHBondContact OD2-NH2 2.86Å; R785-Y787 VanDerWaalsContact CD-CZ 3.47Å; R785-Y787 WeakPolarHBondContact CD-OH 3.26Å; R785-Y787 HydrophobicContact CG-CD2 4.47Å; R785-Y787 HydrophobicContact CG-CE2 3.74Å; R785-Y787 PolarHBondContact NH1-OH 2.82Å; R785-R812 VanDerWaalsContact O-CD 3.22Å; R785-R812 WeakPolarHBondContact O-CD 3.33Å; R785-R812 WeakPolarHBondContact O-CG 3.26Å; R785-T835 WeakPolarHBondContact CA-OG1 3.39Å; R785-T835 WeakPolarHBondContact CB-OG1 3.23Å; R785-A836 HydrophobicContact CB-CB 3.89Å
786	T	96.6	Very high	95.8	Very high	32 Å²	32	29.4 Å²	29.4	20%	0.196	16%	0.157	C	C	.	.			trans	-122.7	157.2	167.6	65.9	0	0	0	0	110.7	P810 C811 R812 N834 T835	T786-P810 HydrophobicContact CG2-CB 4.22Å; T786-C811 CarbonylContact C-O 3.55Å; T786-C811 VanDerWaalsContact CA-O 3.24Å; T786-C811 WeakPolarHBondContact CA-O 3.44Å; T786-C811 WeakPolarHBondContact CB-O 3.24Å; T786-R812 HydrophobicContact CG2-CB 4.31Å; T786-N834 CarbonylContact O-C 3.59Å; T786-N834 VanDerWaalsContact O-CA 3.32Å; T786-N834 WeakPolarHBondContact O-CA 3.24Å; T786-T835 PolarHBondContact N-OG1 2.65Å; T786-T835 PolarHBondContact O-N 2.84Å; T786-T835 VanDerWaalsContact OG1-CG2 3.26Å; T786-T835 WeakPolarHBondContact OG1-CG2 3.48Å
787	Y	97.7	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.4	179.9	-65.1	-88.8	0	0	0	110.5	L779 W780 R785 E809 C811 Y833 N834 F840 H841	L779-Y787 HydrophobicContact CB-CD2 4.14Å; L779-Y787 HydrophobicContact CD1-CD2 4.43Å; L779-Y787 HydrophobicContact CD2-CD2 4.23Å; L779-Y787 HydrophobicContact CD2-CG 4.3Å; W780-Y787 HydrophobicContact CB-CE2 3.95Å; R785-Y787 VanDerWaalsContact CD-CZ 3.47Å; R785-Y787 WeakPolarHBondContact CD-OH 3.26Å; R785-Y787 HydrophobicContact CG-CD2 4.47Å; R785-Y787 HydrophobicContact CG-CE2 3.74Å; R785-Y787 PolarHBondContact NH1-OH 2.82Å; Y787-E809 VanDerWaalsContact O-O 3.1Å; Y787-C811 PolarHBondContact N-O 3.2Å; Y787-C811 WeakPolarHBondContact O-CA 3.34Å; Y787-C811 WeakPolarHBondContact O-CB 3.2Å; Y787-C811 PolarHBondContact O-N 2.61Å; Y787-Y833 VanDerWaalsContact CA-O 3.26Å; Y787-Y833 WeakPolarHBondContact CA-O 3.39Å; Y787-N834 HydrophobicContact CD1-CB 3.58Å; Y787-N834 HydrophobicContact CE1-CB 3.59Å; Y787-N834 WeakPolarHBondContact CE1-ND2 3.24Å; Y787-F840 AromaticContact CD1-CD2 3.6Å; Y787-F840 HydrophobicContact CD1-CD2 3.6Å; Y787-F840 HydrophobicContact CD1-CE2 4.06Å; Y787-F840 HydrophobicContact CD1-CG 4.44Å; Y787-F840 HydrophobicContact CE1-CD2 4.29Å; Y787-F840 HydrophobicContact CG-CD2 4.21Å; Y787-F840 HydrophobicContact CG-CE2 4.22Å; Y787-H841 HydrophobicContact CE1-CB 4.47Å; Y787-H841 WeakPolarHBondContact OH-CB 3.44Å; Y787-H841 PolarHBondContact OH-ND1 3.03Å
788	S	97.2	Very high	95.4	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.8	165.7	-51.7	0	0	0	0	109.1	A806 S807 E809 S832 Y833	S788-A806 WeakPolarHBondContact CB-O 3.09Å; S788-S807 VanDerWaalsContact CB-O 3.3Å; S788-S807 WeakPolarHBondContact CB-O 3.08Å; S788-E809 WeakPolarHBondContact CB-O 3.11Å; S788-E809 PolarHBondContact OG-O 3.06Å; S788-S832 VanDerWaalsContact C-OG 3.24Å; S788-S832 VanDerWaalsContact CB-OG 3.32Å; S788-S832 WeakPolarHBondContact CB-OG 3.18Å; S788-S832 PolarHBondContact O-N 3.31Å; S788-S832 PolarHBondContact O-OG 2.9Å; S788-Y833 PolarHBondContact N-O 2.79Å; S788-Y833 PolarHBondContact O-N 2.84Å
789	Y	98	Very high	95.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.4	-169.7	63.9	-95.2	0	0	0	113.5	F777 L779 V791 R804 A806 S807 C811 Q815 I817 V830	F777-Y789 HydrophobicContact CE1-CE2 4.45Å; F777-Y789 HydrophobicContact CE2-CE1 4.2Å; F777-Y789 HydrophobicContact CE2-CE2 4.43Å; F777-Y789 HydrophobicContact CZ-CD1 4.42Å; F777-Y789 AromaticContact CZ-CD2 3.89Å; F777-Y789 HydrophobicContact CZ-CD2 3.89Å; F777-Y789 HydrophobicContact CZ-CE1 4.16Å; F777-Y789 AromaticContact CZ-CE2 3.6Å; F777-Y789 HydrophobicContact CZ-CE2 3.6Å; F777-Y789 HydrophobicContact CZ-CG 4.3Å; F777-Y789 AromaticContact CZ-CZ 3.76Å; L779-Y789 HydrophobicContact CD1-CD1 4.34Å; L779-Y789 HydrophobicContact CD1-CE1 4.12Å; Y789-V791 HydrophobicContact CD2-CG2 3.61Å; Y789-V791 HydrophobicContact CE2-CG2 3.75Å; Y789-R804 HydrophobicContact CE2-CG 3.87Å; Y789-A806 HydrophobicContact CD1-CB 4.29Å; Y789-A806 HydrophobicContact CD2-CB 4.13Å; Y789-A806 HydrophobicContact CE1-CB 3.99Å; Y789-A806 HydrophobicContact CE2-CB 3.81Å; Y789-A806 HydrophobicContact CG-CB 4.35Å; Y789-A806 PolarHBondContact N-O 2.83Å; Y789-A806 CarbonylContact O-C 3.58Å; Y789-A806 WeakPolarHBondContact O-CA 3.42Å; Y789-A806 WeakPolarHBondContact O-CB 3.11Å; Y789-A806 PolarHBondContact O-N 2.88Å; Y789-S807 PolarHBondContact O-N 2.98Å; Y789-S807 VanDerWaalsContact O-N 3.13Å; Y789-C811 HydrophobicContact CD1-CB 4.33Å; Y789-C811 HydrophobicContact CE1-CB 3.7Å; Y789-Q815 HydrophobicContact CE1-CG 3.89Å; Y789-Q815 PolarHBondContact OH-OE1 3.34Å; Y789-I817 HydrophobicContact CE2-CD1 4.24Å; Y789-V830 CarbonylContact C-O 3.51Å; Y789-V830 WeakPolarHBondContact CA-O 3.22Å
790	S	97.8	Very high	95.3	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.3	165.9	-43.8	0	0	0	0	110	R804 D805 V830	S790-R804 CarbonylContact C-O 3.59Å; S790-R804 WeakPolarHBondContact CA-O 3.42Å; S790-D805 PolarHBondContact OG-OD1 3.43Å; S790-V830 PolarHBondContact N-O 3.26Å; S790-V830 PolarHBondContact O-N 3.5Å
791	V	98.1	Very high	95.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	-175.4	-170.7	0	0	0	0	110.3	M775 F777 Y789 V803 R804 I817 I827 R828 V829	M775-V791 HydrophobicContact CE-CG1 4.41Å; M775-V791 HydrophobicContact SD-CG1 3.91Å; F777-V791 HydrophobicContact CE1-CG2 3.91Å; F777-V791 HydrophobicContact CZ-CG2 4.19Å; Y789-V791 HydrophobicContact CD2-CG2 3.61Å; Y789-V791 HydrophobicContact CE2-CG2 3.75Å; V791-V803 HydrophobicContact CB-CG2 4.07Å; V791-V803 HydrophobicContact CG1-CG2 3.84Å; V791-V803 VanDerWaalsContact O-CG2 3.31Å; V791-V803 WeakPolarHBondContact O-CG2 3.48Å; V791-V803 PolarHBondContact O-N 2.91Å; V791-R804 HydrophobicContact CB-CB 4.31Å; V791-R804 HydrophobicContact CG2-CB 4.37Å; V791-R804 PolarHBondContact N-O 3.3Å; V791-R804 PolarHBondContact O-N 2.79Å; V791-I817 HydrophobicContact CB-CD1 4.34Å; V791-I817 HydrophobicContact CG2-CD1 3.7Å; V791-I827 HydrophobicContact CG1-CG2 4.38Å; V791-R828 WeakPolarHBondContact CA-O 3.41Å; V791-V829 HydrophobicContact CG1-CG2 4.33Å; V791-V829 HydrophobicContact CG2-CG2 4.44Å
792	Y	98.3	Very high	95.7	Very high	70 Å²	70	52 Å²	52	28%	0.275	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.5	179.8	-53.3	-102.4	0	0	0	109.8	K801 L802 R828 V830	Y792-K801 CarbonylContact C-O 3.53Å; Y792-K801 VanDerWaalsContact CA-O 3.28Å; Y792-K801 WeakPolarHBondContact CA-O 3.42Å; Y792-L802 HydrophobicContact CD1-CB 3.94Å; Y792-L802 HydrophobicContact CD1-CD1 4.18Å; Y792-L802 HydrophobicContact CE1-CB 3.89Å; Y792-L802 HydrophobicContact CE1-CD1 3.78Å; Y792-L802 HydrophobicContact CE1-CG 4.36Å; Y792-L802 HydrophobicContact CE2-CD1 4.28Å; Y792-R828 PolarHBondContact N-O 3.03Å; Y792-R828 PolarHBondContact O-N 2.99Å; Y792-V830 HydrophobicContact CD2-CG2 4.4Å; Y792-V830 HydrophobicContact CE2-CG2 4.21Å
793	V	98	Very high	95.9	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	156.6	169.3	-58.4	0	0	0	0	110.7	M775 K801 V803 V824 F826 I827	M775-V793 HydrophobicContact CE-CG1 3.9Å; V793-K801 PolarHBondContact N-O 3.47Å; V793-K801 PolarHBondContact O-N 3.05Å; V793-V803 HydrophobicContact CG1-CG1 4.2Å; V793-V803 HydrophobicContact CG1-CG2 3.99Å; V793-V803 HydrophobicContact CG2-CG1 3.69Å; V793-V824 HydrophobicContact CB-CG1 4.04Å; V793-V824 HydrophobicContact CB-CG2 3.86Å; V793-V824 HydrophobicContact CG1-CG1 4.12Å; V793-V824 HydrophobicContact CG1-CG2 4.1Å; V793-V824 HydrophobicContact CG2-CG2 3.91Å; V793-F826 VanDerWaalsContact CA-O 3.31Å; V793-F826 WeakPolarHBondContact CA-O 3.39Å; V793-I827 HydrophobicContact CG1-CG1 4.4Å
794	S	97.2	Very high	96.1	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.028	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.5	178.4	-179	0	0	0	0	110.8	D796 R797 D799 T825 F826	S794-D796 PolarHBondContact OG-N 3.2Å; S794-D796 PolarHBondContact OG-OD1 3.06Å; S794-R797 WeakPolarHBondContact OG-CA 3.22Å; S794-R797 PolarHBondContact OG-N 2.75Å; S794-D799 WeakPolarHBondContact CB-O 3.32Å; S794-D799 PolarHBondContact OG-O 2.8Å; S794-T825 PolarHBondContact O-N 2.95Å; S794-F826 PolarHBondContact N-O 2.85Å; S794-F826 PolarHBondContact O-N 3.35Å
795	N	93.7	Very high	96.2	Very high	56 Å²	56	47.7 Å²	47.7	30%	0.299	24%	0.235	S	C	.	.	S	Bend	trans	-97.4	-27.8	169.8	60.4	-19.1	0	0	0	112.7	T825	N795-T825 WeakPolarHBondContact CA-OG1 3.35Å; N795-T825 WeakPolarHBondContact O-CB 3.45Å; N795-T825 PolarHBondContact O-OG1 2.88Å
796	D	91.1	Very high	96.4	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	23%	0.233	S	C	.	.	S	Bend	trans	-123.8	-4.8	-169.6	71.4	-8.2	0	0	0	115	S794 V798 D799	S794-D796 PolarHBondContact OG-N 3.2Å; S794-D796 PolarHBondContact OG-OD1 3.06Å; D796-V798 PolarHBondContact O-N 2.82Å; D796-V798 WeakPolarHBondContact OD1-CA 3.39Å; D796-V798 PolarHBondContact OD1-N 2.87Å; D796-D799 PolarHBondContact OD1-N 3.08Å
797	R	91.7	Very high	96.2	Very high	98 Å²	98	47.5 Å²	47.5	37%	0.37	24%	0.237	S	C	.	.	S	Bend	trans	70.2	6.3	-173.9	-148.6	-176.8	175.2	-172.2	-0.7	114.9	E729 S794 W800 F826	E729-R797 IonicContact OE1-CZ 2.72Å; E729-R797 IonicContact OE1-NE 3.32Å; E729-R797 IonicContact OE1-NH2 3.11Å; E729-R797 PolarHBondContact OE1-NH2 3.25Å; S794-R797 WeakPolarHBondContact OG-CA 3.22Å; S794-R797 PolarHBondContact OG-N 2.75Å; R797-W800 HydrophobicContact CB-CZ2 4.45Å; R797-W800 HydrophobicContact CG-CH2 4.42Å; R797-W800 HydrophobicContact CG-CZ2 3.63Å; R797-W800 PolarHBondContact O-NE1 2.95Å; R797-F826 HydrophobicContact CB-CD2 3.93Å; R797-F826 HydrophobicContact CB-CE1 4.41Å; R797-F826 HydrophobicContact CB-CE2 3.78Å; R797-F826 HydrophobicContact CB-CG 4.34Å; R797-F826 HydrophobicContact CB-CZ 4.04Å; R797-F826 HydrophobicContact CG-CD1 4.33Å; R797-F826 HydrophobicContact CG-CD2 4.45Å; R797-F826 HydrophobicContact CG-CE1 4.4Å; R797-F826 HydrophobicContact CG-CG 4.36Å
798	V	92.7	Very high	96	Very high	121 Å²	121	53.5 Å²	53.5	73%	0.733	27%	0.274	S	S	*	.	S	Bend	trans	-107.2	-54.4	177.8	-176.6	0	0	0	0	110.8	D796	D796-V798 PolarHBondContact O-N 2.82Å; D796-V798 WeakPolarHBondContact OD1-CA 3.39Å; D796-V798 PolarHBondContact OD1-N 2.87Å
799	D	94.6	Very high	95.9	Very high	106 Å²	106	56.8 Å²	56.8	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	-82.6	125.4	172.5	-176.6	26.8	0	0	0	110.2	S794 D796	S794-D799 WeakPolarHBondContact CB-O 3.32Å; S794-D799 PolarHBondContact OG-O 2.8Å; D796-D799 PolarHBondContact OD1-N 3.08Å
800	W	97.3	Very high	95.8	Very high	56 Å²	56	61.4 Å²	61.4	21%	0.212	32%	0.318	C	S	.	.			trans	-124.6	99.6	-173.3	-77	99.2	0	0	0	111.3	V763 R797 F826 R828	V763-W800 HydrophobicContact CG1-CH2 4.22Å; R797-W800 HydrophobicContact CB-CZ2 4.45Å; R797-W800 HydrophobicContact CG-CH2 4.42Å; R797-W800 HydrophobicContact CG-CZ2 3.63Å; R797-W800 PolarHBondContact O-NE1 2.95Å; W800-F826 HydrophobicContact CH2-CB 3.75Å; W800-F826 HydrophobicContact CZ3-CB 4.15Å; W800-R828 HydrophobicContact CE3-CB 3.93Å; W800-R828 HydrophobicContact CH2-CB 3.67Å; W800-R828 HydrophobicContact CZ3-CB 3.31Å; W800-R828 HydrophobicContact CZ3-CG 4.42Å
801	K	97.3	Very high	95.8	Very high	108 Å²	108	61.3 Å²	61.3	47%	0.47	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.9	-178.5	-173.6	172	175.6	-173.9	0	111.5	Y792 V793 V803 Q822	Y792-K801 CarbonylContact C-O 3.53Å; Y792-K801 VanDerWaalsContact CA-O 3.28Å; Y792-K801 WeakPolarHBondContact CA-O 3.42Å; V793-K801 PolarHBondContact N-O 3.47Å; V793-K801 PolarHBondContact O-N 3.05Å; K801-V803 PolarHBondContact O-N 3.43Å; K801-Q822 VanDerWaalsContact CD-OE1 3.32Å; K801-Q822 VanDerWaalsContact CE-OE1 3.25Å
802	L	97.8	Very high	95.6	Very high	83 Å²	83	66.8 Å²	66.8	44%	0.435	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122.7	171.1	-178.9	65	0	0	0	110.3	Y792 R804 D805	Y792-L802 HydrophobicContact CD1-CB 3.94Å; Y792-L802 HydrophobicContact CD1-CD1 4.18Å; Y792-L802 HydrophobicContact CE1-CB 3.89Å; Y792-L802 HydrophobicContact CE1-CD1 3.78Å; Y792-L802 HydrophobicContact CE1-CG 4.36Å; Y792-L802 HydrophobicContact CE2-CD1 4.28Å; L802-R804 WeakPolarHBondContact CD1-O 3.42Å; L802-D805 HydrophobicContact CD1-CB 4.21Å; L802-D805 HydrophobicContact CD2-CB 4.23Å
803	V	97.1	Very high	95.5	Very high	23 Å²	23	65 Å²	65	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-19.9	178.9	-69.3	0	0	0	0	113.7	V791 V793 K801 F819	V791-V803 HydrophobicContact CB-CG2 4.07Å; V791-V803 HydrophobicContact CG1-CG2 3.84Å; V791-V803 VanDerWaalsContact O-CG2 3.31Å; V791-V803 WeakPolarHBondContact O-CG2 3.48Å; V791-V803 PolarHBondContact O-N 2.91Å; V793-V803 HydrophobicContact CG1-CG1 4.2Å; V793-V803 HydrophobicContact CG1-CG2 3.99Å; V793-V803 HydrophobicContact CG2-CG1 3.69Å; K801-V803 PolarHBondContact O-N 3.43Å; V803-F819 HydrophobicContact CB-CB 4.04Å; V803-F819 HydrophobicContact CB-CD1 4.22Å; V803-F819 HydrophobicContact CB-CG 4.15Å; V803-F819 HydrophobicContact CG1-CB 4.02Å; V803-F819 HydrophobicContact CG1-CD1 4.46Å; V803-F819 HydrophobicContact CG1-CD2 4.23Å; V803-F819 HydrophobicContact CG1-CG 4.01Å
804	R	97.2	Very high	95.3	Very high	71 Å²	71	68.8 Å²	68.8	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	124.2	168.9	172.1	59.8	163.7	138.5	-4.1	108.3	Y789 S790 V791 L802 A806 E809 I817	Y789-R804 HydrophobicContact CE2-CG 3.87Å; S790-R804 CarbonylContact C-O 3.59Å; S790-R804 WeakPolarHBondContact CA-O 3.42Å; V791-R804 HydrophobicContact CB-CB 4.31Å; V791-R804 HydrophobicContact CG2-CB 4.37Å; V791-R804 PolarHBondContact N-O 3.3Å; V791-R804 PolarHBondContact O-N 2.79Å; L802-R804 WeakPolarHBondContact CD1-O 3.42Å; R804-A806 HydrophobicContact CG-CB 4.46Å; R804-E809 IonicContact CZ-OE1 3.73Å; R804-E809 IonicContact CZ-OE2 2.77Å; R804-E809 IonicContact NH1-OE1 3.49Å; R804-E809 PolarHBondContact NH1-OE1 2.93Å; R804-E809 IonicContact NH1-OE2 2.69Å; R804-E809 VanDerWaalsContact NH2-CD 3.32Å; R804-E809 IonicContact NH2-OE1 3.56Å; R804-E809 PolarHBondContact NH2-OE1 3.25Å; R804-E809 IonicContact NH2-OE2 3.46Å; R804-E809 PolarHBondContact NH2-OE2 3.45Å; R804-I817 HydrophobicContact CB-CD1 3.97Å; R804-I817 HydrophobicContact CB-CG1 4.27Å; R804-I817 HydrophobicContact CB-CG2 3.82Å; R804-I817 HydrophobicContact CG-CD1 4.1Å; R804-I817 HydrophobicContact CG-CG1 4.25Å
805	D	97.3	Very high	95.3	Very high	73 Å²	73	69.8 Å²	69.8	39%	0.39	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.3	158.6	-167.7	19.8	0	0	0	109.2	S790 L802 S807	S790-D805 PolarHBondContact OG-OD1 3.43Å; L802-D805 HydrophobicContact CD1-CB 4.21Å; L802-D805 HydrophobicContact CD2-CB 4.23Å; D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CB 3.28Å; D805-S807 PolarHBondContact OD1-N 2.84Å; D805-S807 PolarHBondContact OD1-OG 3.41Å; D805-S807 PolarHBondContact OD2-OG 3.41Å
806	A	96.8	Very high	95.4	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.008	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	26.3	172.2	0	0	0	0	0	109.1	S788 Y789 R804 T808 E809	S788-A806 WeakPolarHBondContact CB-O 3.09Å; Y789-A806 HydrophobicContact CD1-CB 4.29Å; Y789-A806 HydrophobicContact CD2-CB 4.13Å; Y789-A806 HydrophobicContact CE1-CB 3.99Å; Y789-A806 HydrophobicContact CE2-CB 3.81Å; Y789-A806 HydrophobicContact CG-CB 4.35Å; Y789-A806 PolarHBondContact N-O 2.83Å; Y789-A806 CarbonylContact O-C 3.58Å; Y789-A806 WeakPolarHBondContact O-CA 3.42Å; Y789-A806 WeakPolarHBondContact O-CB 3.11Å; Y789-A806 PolarHBondContact O-N 2.88Å; R804-A806 HydrophobicContact CG-CB 4.46Å; A806-T808 PolarHBondContact O-N 2.87Å; A806-T808 VanDerWaalsContact O-N 3.1Å; A806-E809 HydrophobicContact CB-CB 4.29Å; A806-E809 PolarHBondContact O-N 2.97Å; A806-E809 VanDerWaalsContact O-N 3.09Å
807	S	94	Very high	95.6	Very high	41 Å²	41	68.9 Å²	68.9	29%	0.287	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	-17.3	-171.6	57.3	0	0	0	0	114.7	S788 Y789 D805 S832	S788-S807 VanDerWaalsContact CB-O 3.3Å; S788-S807 WeakPolarHBondContact CB-O 3.08Å; Y789-S807 PolarHBondContact O-N 2.98Å; Y789-S807 VanDerWaalsContact O-N 3.13Å; D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CB 3.28Å; D805-S807 PolarHBondContact OD1-N 2.84Å; D805-S807 PolarHBondContact OD1-OG 3.41Å; D805-S807 PolarHBondContact OD2-OG 3.41Å; S807-S832 WeakPolarHBondContact CA-OG 3.02Å; S807-S832 PolarHBondContact O-OG 2.98Å; S807-S832 VanDerWaalsContact O-OG 3.09Å
808	T	93.3	Very high	95.8	Very high	125 Å²	125	72.2 Å²	72.2	77%	0.767	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	2.2	178.4	56.5	0	0	0	0	113.7	A806	A806-T808 PolarHBondContact O-N 2.87Å; A806-T808 VanDerWaalsContact O-N 3.1Å
809	E	94.9	Very high	95.9	Very high	76 Å²	76	67.1 Å²	67.1	36%	0.355	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.2	-175.5	-69.5	178.3	-134.8	0	0	111.9	Y787 S788 R804 A806 C811	Y787-E809 VanDerWaalsContact O-O 3.1Å; S788-E809 WeakPolarHBondContact CB-O 3.11Å; S788-E809 PolarHBondContact OG-O 3.06Å; R804-E809 IonicContact CZ-OE1 3.73Å; R804-E809 IonicContact CZ-OE2 2.77Å; R804-E809 IonicContact NH1-OE1 3.49Å; R804-E809 PolarHBondContact NH1-OE1 2.93Å; R804-E809 IonicContact NH1-OE2 2.69Å; R804-E809 VanDerWaalsContact NH2-CD 3.32Å; R804-E809 IonicContact NH2-OE1 3.56Å; R804-E809 PolarHBondContact NH2-OE1 3.25Å; R804-E809 IonicContact NH2-OE2 3.46Å; R804-E809 PolarHBondContact NH2-OE2 3.45Å; A806-E809 HydrophobicContact CB-CB 4.29Å; A806-E809 PolarHBondContact O-N 2.97Å; A806-E809 VanDerWaalsContact O-N 3.09Å; E809-C811 PolarHBondContact O-N 3.41Å
810	P	95.8	Very high	95.8	Very high	98 Å²	98	66.7 Å²	66.7	64%	0.636	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	87.1	176.1	32.9	-33.7	0	0	0	111.5	T786	T786-P810 HydrophobicContact CG2-CB 4.22Å
811	C	97	Very high	95.7	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	150.2	-179.8	-58.8	0	0	0	0	113	L779 T786 Y787 Y789 E809	L779-C811 HydrophobicContact CD1-CB 3.65Å; T786-C811 CarbonylContact C-O 3.55Å; T786-C811 VanDerWaalsContact CA-O 3.24Å; T786-C811 WeakPolarHBondContact CA-O 3.44Å; T786-C811 WeakPolarHBondContact CB-O 3.24Å; Y787-C811 PolarHBondContact N-O 3.2Å; Y787-C811 WeakPolarHBondContact O-CA 3.34Å; Y787-C811 WeakPolarHBondContact O-CB 3.2Å; Y787-C811 PolarHBondContact O-N 2.61Å; Y789-C811 HydrophobicContact CD1-CB 4.33Å; Y789-C811 HydrophobicContact CE1-CB 3.7Å; E809-C811 PolarHBondContact O-N 3.41Å
812	R	95.1	Very high	95.5	Very high	115 Å²	115	63.5 Å²	63.5	43%	0.434	33%	0.328	S	S	.	.			trans	-152	153.1	175.4	-176.7	179.4	174.6	-135.7	-9.5	110.2	D781 D783 R785 T786 Q815	D781-R812 HydrophobicContact CB-CG 4.03Å; D781-R812 PolarHBondContact O-NH2 3.25Å; D783-R812 PolarHBondContact O-NE 2.79Å; D783-R812 PolarHBondContact O-NH2 3.45Å; R785-R812 VanDerWaalsContact O-CD 3.22Å; R785-R812 WeakPolarHBondContact O-CD 3.33Å; R785-R812 WeakPolarHBondContact O-CG 3.26Å; T786-R812 HydrophobicContact CG2-CB 4.31Å; R812-Q815 PolarHBondContact O-NE2 2.78Å
813	S	95	Very high	95.4	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	32%	0.319	C	S	.	.	S	Bend	trans	55.6	-151.9	-178.2	-163.9	0	0	0	0	112.3	L779 D781 Q815	L779-S813 WeakPolarHBondContact CB-O 3.41Å; L779-S813 PolarHBondContact N-O 2.68Å; L779-S813 VanDerWaalsContact N-O 3.16Å; L779-S813 WeakPolarHBondContact O-CA 3.45Å; D781-S813 WeakPolarHBondContact OD2-CB 3.46Å; D781-S813 PolarHBondContact OD2-OG 2.68Å; S813-Q815 PolarHBondContact O-N 2.85Å; S813-Q815 PolarHBondContact O-NE2 3.04Å
814	W	95.5	Very high	95.4	Very high	83 Å²	83	60.7 Å²	60.7	31%	0.314	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	121.6	-177.2	-72	101.1	0	0	0	114.2	I743 R776 F777 L778 H844	I743-W814 HydrophobicContact CB-CZ2 4.16Å; I743-W814 HydrophobicContact CD1-CZ2 4.39Å; I743-W814 HydrophobicContact CG2-CH2 3.86Å; I743-W814 HydrophobicContact CG2-CZ2 4.01Å; R776-W814 HydrophobicContact CB-CE3 4.46Å; R776-W814 HydrophobicContact CG-CE3 4.13Å; R776-W814 HydrophobicContact CG-CZ3 3.88Å; F777-W814 CarbonylContact O-C 3.49Å; F777-W814 WeakPolarHBondContact O-CA 3.24Å; L778-W814 HydrophobicContact CB-CD2 4.15Å; L778-W814 HydrophobicContact CB-CE3 4.09Å; L778-W814 HydrophobicContact CB-CH2 4.29Å; L778-W814 HydrophobicContact CB-CZ2 4.29Å; L778-W814 HydrophobicContact CB-CZ3 4.16Å; L778-W814 HydrophobicContact CD1-CD2 4.15Å; L778-W814 HydrophobicContact CD1-CG 4.09Å; L778-W814 HydrophobicContact CD2-CZ2 4.19Å; W814-H844 AromaticContact CH2-CD2 3.65Å
815	Q	96.7	Very high	95.4	Very high	25 Å²	25	57.3 Å²	57.3	12%	0.117	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.3	170	-53.9	-52.9	-64.5	0	0	109	R776 F777 L779 Y789 R812 S813	R776-Q815 CarbonylContact C-O 3.55Å; R776-Q815 WeakPolarHBondContact CA-O 3.33Å; R776-Q815 WeakPolarHBondContact CB-O 3.44Å; F777-Q815 HydrophobicContact CD2-CB 3.82Å; F777-Q815 HydrophobicContact CD2-CG 3.87Å; F777-Q815 HydrophobicContact CE2-CB 3.62Å; F777-Q815 HydrophobicContact CE2-CG 3.46Å; F777-Q815 VanDerWaalsContact CE2-CG 3.46Å; F777-Q815 HydrophobicContact CG-CB 4.48Å; F777-Q815 HydrophobicContact CZ-CB 4.11Å; F777-Q815 HydrophobicContact CZ-CG 4.24Å; F777-Q815 PolarHBondContact N-O 3.28Å; F777-Q815 PolarHBondContact O-N 3Å; L779-Q815 HydrophobicContact CD1-CG 3.62Å; L779-Q815 HydrophobicContact CG-CG 3.96Å; Y789-Q815 HydrophobicContact CE1-CG 3.89Å; Y789-Q815 PolarHBondContact OH-OE1 3.34Å; R812-Q815 PolarHBondContact O-NE2 2.78Å; S813-Q815 PolarHBondContact O-N 2.85Å; S813-Q815 PolarHBondContact O-NE2 3.04Å
816	I	95.4	Very high	95.4	Very high	92 Å²	92	53.8 Å²	53.8	47%	0.472	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.8	174.1	-60.3	172.8	0	0	0	108	R776 Y849	R776-I816 HydrophobicContact CB-CG1 4.13Å; I816-Y849 HydrophobicContact CD1-CE1 3.89Å; I816-Y849 HydrophobicContact CG1-CE1 4.37Å; I816-Y849 HydrophobicContact CG2-CD1 3.77Å; I816-Y849 HydrophobicContact CG2-CE1 4.04Å
817	I	95.4	Very high	95.5	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.7	-176.3	-58.7	174.2	0	0	0	108.4	S774 M775 F777 Y789 V791 R804 F819	S774-I817 CarbonylContact C-O 3.55Å; S774-I817 VanDerWaalsContact CA-O 3.25Å; S774-I817 WeakPolarHBondContact CA-O 3.3Å; M775-I817 HydrophobicContact CG-CB 3.85Å; M775-I817 HydrophobicContact CG-CD1 4.31Å; M775-I817 HydrophobicContact CG-CG2 4.37Å; M775-I817 PolarHBondContact N-O 2.89Å; M775-I817 PolarHBondContact O-N 3.09Å; M775-I817 VanDerWaalsContact O-O 3.09Å; M775-I817 HydrophobicContact SD-CD1 4.45Å; F777-I817 HydrophobicContact CD1-CD1 4.34Å; F777-I817 HydrophobicContact CE1-CD1 3.56Å; F777-I817 HydrophobicContact CZ-CD1 4.08Å; Y789-I817 HydrophobicContact CE2-CD1 4.24Å; V791-I817 HydrophobicContact CB-CD1 4.34Å; V791-I817 HydrophobicContact CG2-CD1 3.7Å; R804-I817 HydrophobicContact CB-CD1 3.97Å; R804-I817 HydrophobicContact CB-CG1 4.27Å; R804-I817 HydrophobicContact CB-CG2 3.82Å; R804-I817 HydrophobicContact CG-CD1 4.1Å; R804-I817 HydrophobicContact CG-CG1 4.25Å; I817-F819 HydrophobicContact CG2-CD1 4.18Å
818	K	94.8	Very high	95.7	Very high	168 Å²	168	55.9 Å²	55.9	73%	0.73	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	140	175.6	-61.9	-177.8	-176.6	179	0	108.8	R773	R773-K818 WeakPolarHBondContact O-CA 3.31Å
819	F	95.1	Very high	95.9	Very high	15 Å²	15	50 Å²	50	7%	0.066	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.4	-177.2	49.8	-87.7	0	0	0	110.4	L772 R773 M775 V803 I817 Q822 V824	L772-F819 VanDerWaalsContact C-CE2 3.46Å; L772-F819 HydrophobicContact CB-CE2 4.01Å; L772-F819 HydrophobicContact CB-CZ 3.97Å; L772-F819 WeakPolarHBondContact O-CE2 3.32Å; R773-F819 CarbonylContact C-O 3.5Å; R773-F819 WeakPolarHBondContact CA-O 3.47Å; R773-F819 WeakPolarHBondContact CB-O 3.34Å; R773-F819 PolarHBondContact O-N 2.95Å; R773-F819 VanDerWaalsContact O-O 3.06Å; M775-F819 HydrophobicContact CE-CE1 3.69Å; M775-F819 HydrophobicContact CE-CZ 3.97Å; M775-F819 HydrophobicContact CG-CE1 4.23Å; V803-F819 HydrophobicContact CB-CB 4.04Å; V803-F819 HydrophobicContact CB-CD1 4.22Å; V803-F819 HydrophobicContact CB-CG 4.15Å; V803-F819 HydrophobicContact CG1-CB 4.02Å; V803-F819 HydrophobicContact CG1-CD1 4.46Å; V803-F819 HydrophobicContact CG1-CD2 4.23Å; V803-F819 HydrophobicContact CG1-CG 4.01Å; I817-F819 HydrophobicContact CG2-CD1 4.18Å; F819-Q822 HydrophobicContact CD2-CG 4.08Å; F819-Q822 VanDerWaalsContact CD2-NE2 3.26Å; F819-Q822 HydrophobicContact CE2-CG 4.17Å; F819-V824 HydrophobicContact CE2-CG2 4.32Å
820	P	93.8	Very high	96	Very high	97 Å²	97	48.1 Å²	48.1	63%	0.63	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	144.4	175.1	-25	35.3	0	0	0	111.9	Q822	P820-Q822 WeakPolarHBondContact O-CG 3.32Å; P820-Q822 PolarHBondContact O-N 2.92Å
821	L	93.7	Very high	96	Very high	72 Å²	72	43.6 Å²	43.6	38%	0.377	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	122.6	-179.3	-173.1	69.5	0	0	0	110.4	L771 L772 R773	L771-L821 HydrophobicContact CB-CD1 4.04Å; L771-L821 HydrophobicContact CB-CG 4.38Å; L772-L821 WeakPolarHBondContact O-CA 3.28Å; R773-L821 HydrophobicContact CB-CB 4.44Å; R773-L821 HydrophobicContact CB-CD1 4.04Å
822	Q	94.6	Very high	96	Very high	25 Å²	25	45.7 Å²	45.7	12%	0.117	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.5	-175.3	64.4	-166.7	-5	0	0	112	L771 L772 K801 F819 P820 V824	L771-Q822 WeakPolarHBondContact CA-O 3.39Å; L772-Q822 PolarHBondContact N-O 2.9Å; L772-Q822 PolarHBondContact O-N 3.4Å; L772-Q822 VanDerWaalsContact O-N 3.07Å; K801-Q822 VanDerWaalsContact CD-OE1 3.32Å; K801-Q822 VanDerWaalsContact CE-OE1 3.25Å; F819-Q822 HydrophobicContact CD2-CG 4.08Å; F819-Q822 VanDerWaalsContact CD2-NE2 3.26Å; F819-Q822 HydrophobicContact CE2-CG 4.17Å; P820-Q822 WeakPolarHBondContact O-CG 3.32Å; P820-Q822 PolarHBondContact O-N 2.92Å; Q822-V824 HydrophobicContact CG-CG2 4.24Å
823	L	95.5	Very high	96.1	Very high	46 Å²	46	46 Å²	46	24%	0.241	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.2	175.8	-69.3	172.6	0	0	0	111.1	Y660 F711 F770 L771	Y660-L823 HydrophobicContact CE1-CD1 4.18Å; F711-L823 HydrophobicContact CB-CD2 3.73Å; F711-L823 HydrophobicContact CD1-CD2 3.6Å; F711-L823 HydrophobicContact CD2-CD1 4.29Å; F711-L823 HydrophobicContact CD2-CD2 3.92Å; F711-L823 HydrophobicContact CE1-CD1 4.45Å; F711-L823 HydrophobicContact CE1-CD2 4.2Å; F711-L823 HydrophobicContact CE2-CD1 4.15Å; F711-L823 HydrophobicContact CE2-CD2 4.49Å; F711-L823 HydrophobicContact CG-CD2 3.45Å; F711-L823 VanDerWaalsContact CG-CD2 3.45Å; F711-L823 HydrophobicContact CZ-CD1 4.24Å; F770-L823 WeakPolarHBondContact O-CA 3.35Å; L771-L823 HydrophobicContact CD2-CD2 3.56Å; L771-L823 HydrophobicContact CD2-CG 3.79Å; L771-L823 HydrophobicContact CG-CD2 3.74Å
824	V	96.9	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.2	177.6	177.5	0	0	0	0	109.1	L766 F770 L772 V793 F819 Q822 I827	L766-V824 HydrophobicContact CD1-CG1 4.26Å; F770-V824 PolarHBondContact N-O 2.86Å; F770-V824 VanDerWaalsContact N-O 3.09Å; F770-V824 PolarHBondContact O-N 3.24Å; L772-V824 HydrophobicContact CB-CB 4.41Å; L772-V824 HydrophobicContact CB-CG2 4.14Å; L772-V824 HydrophobicContact CD1-CB 3.65Å; L772-V824 HydrophobicContact CD1-CG1 3.93Å; L772-V824 HydrophobicContact CD1-CG2 4.25Å; L772-V824 HydrophobicContact CG-CB 4.32Å; V793-V824 HydrophobicContact CB-CG1 4.04Å; V793-V824 HydrophobicContact CB-CG2 3.86Å; V793-V824 HydrophobicContact CG1-CG1 4.12Å; V793-V824 HydrophobicContact CG1-CG2 4.1Å; V793-V824 HydrophobicContact CG2-CG2 3.91Å; F819-V824 HydrophobicContact CE2-CG2 4.32Å; Q822-V824 HydrophobicContact CG-CG2 4.24Å; V824-I827 HydrophobicContact CG1-CG1 3.83Å
825	T	97	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-34	168.8	-45.2	0	0	0	0	110.3	L766 S794 N795	L766-T825 PolarHBondContact N-O 3.41Å; S794-T825 PolarHBondContact O-N 2.95Å; N795-T825 WeakPolarHBondContact CA-OG1 3.35Å; N795-T825 WeakPolarHBondContact O-CB 3.45Å; N795-T825 PolarHBondContact O-OG1 2.88Å
826	F	97.8	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.1	-177.9	-54	-85.8	0	0	0	111.3	M661 L728 V764 Q765 V793 S794 R797 W800	M661-F826 HydrophobicContact CB-CE2 4.25Å; M661-F826 HydrophobicContact CB-CZ 3.83Å; M661-F826 HydrophobicContact CE-CZ 4.17Å; M661-F826 HydrophobicContact CG-CZ 4.39Å; M661-F826 HydrophobicContact SD-CE2 4.24Å; M661-F826 HydrophobicContact SD-CZ 3.84Å; L728-F826 HydrophobicContact CD1-CD1 4.1Å; L728-F826 HydrophobicContact CD1-CE1 3.91Å; V764-F826 CarbonylContact O-C 3.5Å; V764-F826 WeakPolarHBondContact O-CA 3.07Å; Q765-F826 HydrophobicContact CB-CD1 3.8Å; Q765-F826 HydrophobicContact CB-CE1 3.83Å; Q765-F826 HydrophobicContact CG-CD1 3.92Å; Q765-F826 HydrophobicContact CG-CE1 3.55Å; Q765-F826 HydrophobicContact CG-CZ 4.29Å; V793-F826 VanDerWaalsContact CA-O 3.31Å; V793-F826 WeakPolarHBondContact CA-O 3.39Å; S794-F826 PolarHBondContact N-O 2.85Å; S794-F826 PolarHBondContact O-N 3.35Å; R797-F826 HydrophobicContact CB-CD2 3.93Å; R797-F826 HydrophobicContact CB-CE1 4.41Å; R797-F826 HydrophobicContact CB-CE2 3.78Å; R797-F826 HydrophobicContact CB-CG 4.34Å; R797-F826 HydrophobicContact CB-CZ 4.04Å; R797-F826 HydrophobicContact CG-CD1 4.33Å; R797-F826 HydrophobicContact CG-CD2 4.45Å; R797-F826 HydrophobicContact CG-CE1 4.4Å; R797-F826 HydrophobicContact CG-CG 4.36Å; W800-F826 HydrophobicContact CH2-CB 3.75Å; W800-F826 HydrophobicContact CZ3-CB 4.15Å
827	I	98	Very high	95.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.1	173.4	-58.5	170.4	0	0	0	107.4	V763 V764 M775 V791 V793 V824 L845 C847	V763-I827 CarbonylContact C-O 3.11Å; V763-I827 WeakPolarHBondContact CA-O 3.27Å; V764-I827 PolarHBondContact N-O 3.2Å; V764-I827 PolarHBondContact O-N 2.83Å; M775-I827 HydrophobicContact CE-CD1 4.06Å; M775-I827 HydrophobicContact CE-CG1 4.19Å; M775-I827 HydrophobicContact CE-CG2 3.96Å; M775-I827 HydrophobicContact SD-CG2 4.08Å; V791-I827 HydrophobicContact CG1-CG2 4.38Å; V793-I827 HydrophobicContact CG1-CG1 4.4Å; V824-I827 HydrophobicContact CG1-CG1 3.83Å; I827-L845 HydrophobicContact CD1-CD2 4.39Å; I827-C847 HydrophobicContact CD1-CB 3.79Å
828	R	98	Very high	95.7	Very high	84 Å²	84	49 Å²	49	32%	0.317	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121	178.2	176.7	174	-171.9	-171.3	2.8	110.3	A761 I762 V763 V791 Y792 W800 V830	A761-R828 HydrophobicContact CB-CG 4Å; I762-R828 CarbonylContact O-C 3.51Å; I762-R828 WeakPolarHBondContact O-CA 3.35Å; V763-R828 HydrophobicContact CG2-CB 3.96Å; V763-R828 HydrophobicContact CG2-CG 3.79Å; V791-R828 WeakPolarHBondContact CA-O 3.41Å; Y792-R828 PolarHBondContact N-O 3.03Å; Y792-R828 PolarHBondContact O-N 2.99Å; W800-R828 HydrophobicContact CE3-CB 3.93Å; W800-R828 HydrophobicContact CH2-CB 3.67Å; W800-R828 HydrophobicContact CZ3-CB 3.31Å; W800-R828 HydrophobicContact CZ3-CG 4.42Å; R828-V830 HydrophobicContact CG-CG2 4.02Å
829	V	97.8	Very high	95.7	Very high	2 Å²	2	43 Å²	43	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.5	173.2	-175.2	0	0	0	0	108.2	I762 F777 V791 F840 L842	I762-V829 PolarHBondContact N-O 3.32Å; I762-V829 PolarHBondContact O-N 2.86Å; F777-V829 HydrophobicContact CE1-CG2 4.29Å; F777-V829 HydrophobicContact CZ-CG1 4.48Å; V791-V829 HydrophobicContact CG1-CG2 4.33Å; V791-V829 HydrophobicContact CG2-CG2 4.44Å; V829-F840 HydrophobicContact CG1-CE1 3.62Å; V829-F840 HydrophobicContact CG1-CZ 3.76Å; V829-L842 HydrophobicContact CB-CD2 4.34Å; V829-L842 HydrophobicContact CG1-CD2 4.42Å; V829-L842 HydrophobicContact CG2-CD2 4.12Å
830	V	97.5	Very high	95.8	Very high	37 Å²	37	42.3 Å²	42.3	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.8	177.4	-173.7	0	0	0	0	108.2	A761 Y789 S790 Y792 R828	A761-V830 HydrophobicContact CB-CG2 3.99Å; Y789-V830 CarbonylContact C-O 3.51Å; Y789-V830 WeakPolarHBondContact CA-O 3.22Å; S790-V830 PolarHBondContact N-O 3.26Å; S790-V830 PolarHBondContact O-N 3.5Å; Y792-V830 HydrophobicContact CD2-CG2 4.4Å; Y792-V830 HydrophobicContact CE2-CG2 4.21Å; R828-V830 HydrophobicContact CG-CG2 4.02Å
831	G	96.5	Very high	95.8	Very high	2 Å²	2	38 Å²	38	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.8	169	0	0	0	0	0	111.6	H755 L757	H755-G831 PolarHBondContact CE1-N 2.89Å; H755-G831 PolarHBondContact NE2-N 3.09Å; L757-G831 VanDerWaalsContact CD2-O 3.31Å; L757-G831 WeakPolarHBondContact CD2-O 3.22Å
832	S	95.9	Very high	95.9	Very high	56 Å²	56	34.6 Å²	34.6	39%	0.392	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-24.8	173.3	58.5	0	0	0	0	112.9	S788 S807	S788-S832 VanDerWaalsContact C-OG 3.24Å; S788-S832 VanDerWaalsContact CB-OG 3.32Å; S788-S832 WeakPolarHBondContact CB-OG 3.18Å; S788-S832 PolarHBondContact O-N 3.31Å; S788-S832 PolarHBondContact O-OG 2.9Å; S807-S832 WeakPolarHBondContact CA-OG 3.02Å; S807-S832 PolarHBondContact O-OG 2.98Å; S807-S832 VanDerWaalsContact O-OG 3.09Å
833	Y	96.3	Very high	95.9	Very high	121 Å²	121	33.4 Å²	33.4	48%	0.475	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155	-178.3	-170.5	-119.8	0	0	0	112.9	Y787 S788 T835	Y787-Y833 VanDerWaalsContact CA-O 3.26Å; Y787-Y833 WeakPolarHBondContact CA-O 3.39Å; S788-Y833 PolarHBondContact N-O 2.79Å; S788-Y833 PolarHBondContact O-N 2.84Å; Y833-T835 HydrophobicContact CD1-CG2 4.48Å; Y833-T835 HydrophobicContact CE1-CG2 3.59Å
834	N	96	Very high	95.9	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	130.8	167.9	171.9	6	0	0	0	107.7	L757 T786 Y787 A836 N837 V839	L757-N834 HydrophobicContact CD1-CB 4.09Å; T786-N834 CarbonylContact O-C 3.59Å; T786-N834 VanDerWaalsContact O-CA 3.32Å; T786-N834 WeakPolarHBondContact O-CA 3.24Å; Y787-N834 HydrophobicContact CD1-CB 3.58Å; Y787-N834 HydrophobicContact CE1-CB 3.59Å; Y787-N834 WeakPolarHBondContact CE1-ND2 3.24Å; N834-A836 VanDerWaalsContact C-N 3.25Å; N834-A836 PolarHBondContact O-N 2.91Å; N834-A836 PolarHBondContact OD1-N 3.04Å; N834-N837 VanDerWaalsContact CB-O 3.28Å; N834-N837 WeakPolarHBondContact CB-O 3.21Å; N834-N837 PolarHBondContact ND2-O 2.88Å; N834-N837 VanDerWaalsContact ND2-O 3.08Å; N834-N837 PolarHBondContact ND2-OD1 2.99Å; N834-V839 PolarHBondContact ND2-O 2.67Å
835	T	96.5	Very high	95.9	Very high	70 Å²	70	31.4 Å²	31.4	43%	0.429	17%	0.171	S	C	.	.	S	Bend	trans	-71.9	-12.8	179.8	57.4	0	0	0	0	114.7	R785 T786 Y833	R785-T835 WeakPolarHBondContact CA-OG1 3.39Å; R785-T835 WeakPolarHBondContact CB-OG1 3.23Å; T786-T835 PolarHBondContact N-OG1 2.65Å; T786-T835 PolarHBondContact O-N 2.84Å; T786-T835 VanDerWaalsContact OG1-CG2 3.26Å; T786-T835 WeakPolarHBondContact OG1-CG2 3.48Å; Y833-T835 HydrophobicContact CD1-CG2 4.48Å; Y833-T835 HydrophobicContact CE1-CG2 3.59Å
836	A	92.8	Very high	95.8	Very high	53 Å²	53	32.6 Å²	32.6	44%	0.438	18%	0.176	S	C	.	.	S	Bend	trans	-104.5	-34.7	-171.8	0	0	0	0	0	115.2	R785 N834	R785-A836 HydrophobicContact CB-CB 3.89Å; N834-A836 VanDerWaalsContact C-N 3.25Å; N834-A836 PolarHBondContact O-N 2.91Å; N834-A836 PolarHBondContact OD1-N 3.04Å
837	N	92.4	Very high	95.6	Very high	50 Å²	50	32.6 Å²	32.6	27%	0.267	18%	0.176	S	C	.	.	S	Bend	trans	-169.4	171.1	178.8	58.1	36.6	0	0	0	111.6	N834 V839	N834-N837 VanDerWaalsContact CB-O 3.28Å; N834-N837 WeakPolarHBondContact CB-O 3.21Å; N834-N837 PolarHBondContact ND2-O 2.88Å; N834-N837 VanDerWaalsContact ND2-O 3.08Å; N834-N837 PolarHBondContact ND2-OD1 2.99Å; N837-V839 PolarHBondContact O-N 3.19Å; N837-V839 PolarHBondContact OD1-N 3.42Å; N837-V839 PolarHBondContact OD1-O 3.09Å
838	D	93.9	Very high	95.4	Very high	121 Å²	121	33 Å²	33	65%	0.647	18%	0.179	S	C	*	.	S	Bend	trans	-75	28.9	-175.9	-53.1	-62.4	0	0	0	115.3	L757	L757-D838 PolarHBondContact N-O 2.93Å
839	V	93.9	Very high	94.6	Very high	43 Å²	43	31.8 Å²	31.8	26%	0.261	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.4	-176	178.9	0	0	0	0	110.8	C754 H755 N834 N837 H841	C754-V839 HydrophobicContact CB-CG1 3.64Å; H755-V839 WeakPolarHBondContact O-CA 3.4Å; N834-V839 PolarHBondContact ND2-O 2.67Å; N837-V839 PolarHBondContact O-N 3.19Å; N837-V839 PolarHBondContact OD1-N 3.42Å; N837-V839 PolarHBondContact OD1-O 3.09Å; V839-H841 PolarHBondContact O-CE1 3.24Å; V839-H841 VanDerWaalsContact O-CE1 3.27Å; V839-H841 PolarHBondContact O-ND1 2.75Å
840	F	96.1	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.3	171.8	-176.2	-101.3	0	0	0	110.2	C754 H755 L757 I762 L779 Y787 V829 L842	C754-F840 WeakPolarHBondContact CA-O 3.41Å; C754-F840 WeakPolarHBondContact CB-O 3.37Å; H755-F840 AromaticContact CD2-CD1 3.87Å; H755-F840 PolarHBondContact N-O 2.86Å; H755-F840 VanDerWaalsContact N-O 3.16Å; H755-F840 AromaticContact NE2-CD1 3.78Å; H755-F840 AromaticContact NE2-CG 3.92Å; H755-F840 PolarHBondContact O-N 3.06Å; L757-F840 HydrophobicContact CD2-CB 3.89Å; I762-F840 HydrophobicContact CD1-CD1 4.15Å; I762-F840 HydrophobicContact CD1-CE1 4.38Å; L779-F840 HydrophobicContact CD2-CE2 3.73Å; L779-F840 HydrophobicContact CD2-CZ 3.55Å; Y787-F840 AromaticContact CD1-CD2 3.6Å; Y787-F840 HydrophobicContact CD1-CD2 3.6Å; Y787-F840 HydrophobicContact CD1-CE2 4.06Å; Y787-F840 HydrophobicContact CD1-CG 4.44Å; Y787-F840 HydrophobicContact CE1-CD2 4.29Å; Y787-F840 HydrophobicContact CG-CD2 4.21Å; Y787-F840 HydrophobicContact CG-CE2 4.22Å; V829-F840 HydrophobicContact CG1-CE1 3.62Å; V829-F840 HydrophobicContact CG1-CZ 3.76Å; F840-L842 HydrophobicContact CE1-CB 4.08Å; F840-L842 HydrophobicContact CE1-CD1 4.14Å; F840-L842 HydrophobicContact CZ-CD1 4.26Å
841	H	94.9	Very high	90.9	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	-179.1	-55	54	0	0	0	110.6	Y752 W780 Y787 V839	Y752-H841 HydrophobicContact CD2-CB 4.29Å; Y752-H841 AromaticContact CD2-CD2 3.76Å; Y752-H841 AromaticContact CE2-CD2 3.48Å; Y752-H841 VanDerWaalsContact CE2-CD2 3.48Å; Y752-H841 WeakPolarHBondContact CE2-CD2 3.45Å; Y752-H841 AromaticContact CZ-CD2 3.96Å; W780-H841 HydrophobicContact CB-CB 4.1Å; Y787-H841 HydrophobicContact CE1-CB 4.47Å; Y787-H841 WeakPolarHBondContact OH-CB 3.44Å; Y787-H841 PolarHBondContact OH-ND1 3.03Å; V839-H841 PolarHBondContact O-CE1 3.24Å; V839-H841 VanDerWaalsContact O-CE1 3.27Å; V839-H841 PolarHBondContact O-ND1 2.75Å
842	L	95.6	Very high	88.1	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.1	179.8	-161.2	66.2	0	0	0	108.6	L738 Y752 T753 I762 F777 L779 V829 F840	L738-L842 HydrophobicContact CD1-CB 4.02Å; L738-L842 HydrophobicContact CD1-CD2 3.61Å; L738-L842 HydrophobicContact CD1-CG 3.57Å; L738-L842 HydrophobicContact CD2-CD2 4.08Å; L738-L842 HydrophobicContact CG-CD2 4.5Å; Y752-L842 WeakPolarHBondContact CA-O 3.37Å; T753-L842 PolarHBondContact N-O 2.98Å; T753-L842 PolarHBondContact O-N 2.93Å; I762-L842 HydrophobicContact CD1-CB 3.68Å; I762-L842 HydrophobicContact CD1-CD2 4.18Å; I762-L842 HydrophobicContact CG2-CD2 4.28Å; F777-L842 HydrophobicContact CB-CD1 3.96Å; F777-L842 HydrophobicContact CD1-CD1 4.49Å; F777-L842 HydrophobicContact CD2-CD1 3.37Å; F777-L842 HydrophobicContact CE2-CD1 3.84Å; F777-L842 HydrophobicContact CG-CD1 3.74Å; L779-L842 HydrophobicContact CD2-CD1 4.04Å; V829-L842 HydrophobicContact CB-CD2 4.34Å; V829-L842 HydrophobicContact CG1-CD2 4.42Å; V829-L842 HydrophobicContact CG2-CD2 4.12Å; F840-L842 HydrophobicContact CE1-CB 4.08Å; F840-L842 HydrophobicContact CE1-CD1 4.14Å; F840-L842 HydrophobicContact CZ-CD1 4.26Å
843	V	95.1	Very high	85.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-56.9	-172.9	176.5	0	0	0	0	110.3	Y746 G751 L778 W780	Y746-V843 HydrophobicContact CD1-CG1 3.56Å; Y746-V843 HydrophobicContact CD2-CG1 3.9Å; Y746-V843 HydrophobicContact CD2-CG2 3.82Å; Y746-V843 HydrophobicContact CE1-CG1 3.87Å; Y746-V843 HydrophobicContact CE2-CG1 4.14Å; Y746-V843 HydrophobicContact CE2-CG2 3.9Å; Y746-V843 HydrophobicContact CG-CG1 3.61Å; Y746-V843 HydrophobicContact CG-CG2 4.36Å; G751-V843 WeakPolarHBondContact O-CG1 3.24Å; L778-V843 HydrophobicContact CB-CB 4.08Å; L778-V843 HydrophobicContact CD2-CB 4.07Å; L778-V843 HydrophobicContact CD2-CG1 3.78Å; L778-V843 HydrophobicContact CG-CB 3.88Å; L778-V843 HydrophobicContact CG-CG1 4.18Å; L778-V843 HydrophobicContact CG-CG2 4.3Å; L778-V843 WeakPolarHBondContact O-CB 3.42Å; L778-V843 PolarHBondContact O-N 2.73Å; W780-V843 HydrophobicContact CB-CG2 4.46Å
844	H	95.5	Very high	82.2	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.014	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.3	-172.2	173.9	80	0	0	0	111.7	L738 I743 F777 L778 W814 E846	L738-H844 CarbonylContact O-C 3.42Å; L738-H844 WeakPolarHBondContact O-CA 3.24Å; I743-H844 HydrophobicContact CG2-CB 4.3Å; I743-H844 VanDerWaalsContact CG2-CD2 3.43Å; I743-H844 WeakPolarHBondContact CG2-CD2 3.45Å; F777-H844 CarbonylContact C-O 3.57Å; F777-H844 WeakPolarHBondContact CA-O 3.37Å; F777-H844 WeakPolarHBondContact CB-O 3.26Å; L778-H844 HydrophobicContact CB-CB 4.34Å; L778-H844 PolarHBondContact N-O 3.1Å; W814-H844 AromaticContact CH2-CD2 3.65Å; H844-E846 IonicContact CD2-OE1 3.77Å; H844-E846 WeakPolarHBondContact NE2-CG 3.08Å; H844-E846 IonicContact NE2-OE1 3.21Å; H844-E846 PolarHBondContact NE2-OE1 2.82Å
845	L	96.2	Very high	79.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.3	180	175.3	67.2	0	0	0	111.5	A719 L738 I739 V764 F777 I827	A719-L845 HydrophobicContact CB-CD2 4.26Å; A719-L845 HydrophobicContact CB-CG 4.19Å; L738-L845 HydrophobicContact CD1-CB 3.94Å; L738-L845 HydrophobicContact CG-CB 3.95Å; L738-L845 PolarHBondContact O-N 3.35Å; I739-L845 HydrophobicContact CG2-CB 4.28Å; I739-L845 HydrophobicContact CG2-CD2 4.48Å; V764-L845 HydrophobicContact CB-CD2 4.17Å; V764-L845 HydrophobicContact CG1-CD2 4.27Å; V764-L845 HydrophobicContact CG2-CD2 3.84Å; F777-L845 HydrophobicContact CB-CD1 4.07Å; F777-L845 HydrophobicContact CD1-CD1 4.26Å; I827-L845 HydrophobicContact CD1-CD2 4.39Å
846	E	95.3	Very high	76.3	Confident	24 Å²	24	54.5 Å²	54.5	11%	0.112	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.4	168.9	-57.4	179.8	-171.6	0	0	111	N717 M775 R776 H844	N717-E846 HydrophobicContact CB-CB 4.37Å; N717-E846 VanDerWaalsContact OD1-CA 3.32Å; N717-E846 WeakPolarHBondContact OD1-CA 3.06Å; M775-E846 CarbonylContact C-O 3.58Å; M775-E846 WeakPolarHBondContact CA-O 3.35Å; M775-E846 VanDerWaalsContact CB-O 3.31Å; M775-E846 WeakPolarHBondContact CB-O 3.22Å; R776-E846 HydrophobicContact CG-CB 3.97Å; R776-E846 HydrophobicContact CG-CG 4.4Å; R776-E846 IonicContact CZ-OE1 3.36Å; R776-E846 IonicContact CZ-OE2 2.72Å; R776-E846 VanDerWaalsContact CZ-OE2 3.23Å; R776-E846 PolarHBondContact N-O 2.72Å; R776-E846 VanDerWaalsContact NE-CD 3.3Å; R776-E846 IonicContact NE-OE1 3.34Å; R776-E846 IonicContact NE-OE2 2.72Å; R776-E846 PolarHBondContact NE-OE2 2.79Å; R776-E846 IonicContact NH2-OE1 2.71Å; R776-E846 PolarHBondContact NH2-OE1 3.29Å; R776-E846 IonicContact NH2-OE2 3.97Å; R776-E846 PolarHBondContact NH2-OE2 3.11Å; R776-E846 PolarHBondContact O-N 2.72Å; H844-E846 IonicContact CD2-OE1 3.77Å; H844-E846 WeakPolarHBondContact NE2-CG 3.08Å; H844-E846 IonicContact NE2-OE1 3.21Å; H844-E846 PolarHBondContact NE2-OE1 2.82Å
847	C	93.7	Very high	73.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-146.4	123.6	173.8	-165.4	0	0	0	0	108.6	N717 V718 A719 L772 S774 M775 I827	N717-C847 PolarHBondContact OD1-N 2.9Å; N717-C847 PolarHBondContact OD1-O 2.75Å; N717-C847 VanDerWaalsContact OD1-O 3.11Å; V718-C847 WeakPolarHBondContact CG2-O 3.48Å; V718-C847 PolarHBondContact N-O 3.32Å; A719-C847 HydrophobicContact CB-CB 4.11Å; A719-C847 PolarHBondContact N-O 3.43Å; L772-C847 WeakPolarHBondContact CD1-SG 3.37Å; S774-C847 PolarHBondContact O-SG 3.19Å; M775-C847 HydrophobicContact CB-CB 3.96Å; I827-C847 HydrophobicContact CD1-CB 3.79Å
848	P	93.4	Very high	70.8	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.058	32%	0.324	C	S	.	.	S	Bend	cis	-63	156.9	-12	31.6	-37.6	0	0	0	111.9	P714 F716 L772 S774 P850	P714-P848 HydrophobicContact CB-CG 4.11Å; P714-P848 HydrophobicContact CG-CG 3.96Å; F716-P848 VanDerWaalsContact O-CD 3.26Å; F716-P848 WeakPolarHBondContact O-CD 3.49Å; L772-P848 HydrophobicContact CD2-CB 4.23Å; L772-P848 HydrophobicContact CD2-CG 4.34Å; S774-P848 WeakPolarHBondContact O-CA 3.47Å; P848-P850 WeakPolarHBondContact O-CD 3.29Å
849	Y	81.8	Confident	68.2	Low	60 Å²	60	57.6 Å²	57.6	24%	0.235	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-80.1	119.8	157.3	170.5	-126.8	0	0	0	108.1	S774 R776 I816	S774-Y849 PolarHBondContact OG-N 2.85Å; S774-Y849 VanDerWaalsContact OG-N 3.1Å; S774-Y849 PolarHBondContact OG-O 3.01Å; R776-Y849 HydrophobicContact CB-CD2 4.36Å; R776-Y849 HydrophobicContact CB-CG 4.15Å; R776-Y849 HydrophobicContact CG-CD2 3.71Å; R776-Y849 HydrophobicContact CG-CE2 4.5Å; R776-Y849 HydrophobicContact CG-CG 3.95Å; I816-Y849 HydrophobicContact CD1-CE1 3.89Å; I816-Y849 HydrophobicContact CG1-CE1 4.37Å; I816-Y849 HydrophobicContact CG2-CD1 3.77Å; I816-Y849 HydrophobicContact CG2-CE1 4.04Å
850	P	65.9	Low	65.5	Low	52 Å²	52	63.2 Å²	63.2	34%	0.338	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-62.4	129.2	176.1	-20.9	33.2	0	0	0	110.1	P848 A852	P848-P850 WeakPolarHBondContact O-CD 3.29Å; P850-A852 PolarHBondContact O-N 3.42Å
851	P	50.8	Low	62.6	Low	91 Å²	91	67.2 Å²	67.2	59%	0.591	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-61	139.9	164.7	28.4	-32.6	0	0	0	108.6	Q853	P851-Q853 PolarHBondContact O-N 2.82Å
852	A	37.3	Very low	59.7	Low	90 Å²	90	72.8 Å²	72.8	74%	0.744	41%	0.405	S	S	*	.	S	Bend	trans	-53	135.9	166.7	0	0	0	0	0	108.7	P850 T854	P850-A852 PolarHBondContact O-N 3.42Å; A852-T854 PolarHBondContact O-N 3.14Å; A852-T854 VanDerWaalsContact O-N 3.07Å
853	Q	37.3	Very low	56.7	Low	190 Å²	190	80 Å²	80	89%	0.888	44%	0.436	S	S	*	.			trans	-29.3	105.4	-163.6	-62.7	175.2	4.6	0	0	113.7	P851 T855	P851-Q853 PolarHBondContact O-N 2.82Å; Q853-T855 PolarHBondContact O-N 3.03Å; Q853-T855 VanDerWaalsContact O-N 3.07Å
854	T	32.8	Very low	53.5	Low	84 Å²	84	85.7 Å²	85.7	52%	0.515	47%	0.47	S	S	.	.			trans	-62.1	113.4	166.1	30.6	0	0	0	0	108.2	A852 T858	A852-T854 PolarHBondContact O-N 3.14Å; A852-T854 VanDerWaalsContact O-N 3.07Å; T854-T858 HydrophobicContact CG2-CG2 4.4Å
855	T	32.3	Very low	50.2	Low	85 Å²	85	91.5 Å²	91.5	52%	0.521	51%	0.506	S	S	.	.			trans	-58.1	151.4	169.6	61.7	0	0	0	0	109.3	Q853 D857 T858	Q853-T855 PolarHBondContact O-N 3.03Å; Q853-T855 VanDerWaalsContact O-N 3.07Å; T855-D857 WeakPolarHBondContact CB-OD2 3.49Å; T855-D857 PolarHBondContact O-N 2.88Å; T855-D857 PolarHBondContact OG1-OD2 2.86Å; T855-T858 PolarHBondContact O-N 3.16Å; T855-T858 VanDerWaalsContact O-N 3.09Å
856	K	35.1	Very low	47	Very low	182 Å²	182	97.9 Å²	97.9	79%	0.791	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.8	-169.6	-73.9	179.5	169.6	179.3	0	112.8	T858 I859	K856-T858 PolarHBondContact O-N 3.44Å; K856-T858 VanDerWaalsContact O-N 3.12Å; K856-I859 WeakPolarHBondContact O-CB 3.07Å; K856-I859 PolarHBondContact O-N 2.82Å; K856-I859 VanDerWaalsContact O-N 3.1Å
857	D	33.5	Very low	43.7	Very low	121 Å²	121	101.3 Å²	101.3	65%	0.647	57%	0.566	S	S	*	*	H	α-helix	trans	-59.9	-20.7	-177.1	-23	-67.9	0	0	0	114.1	T855	T855-D857 WeakPolarHBondContact CB-OD2 3.49Å; T855-D857 PolarHBondContact O-N 2.88Å; T855-D857 PolarHBondContact OG1-OD2 2.86Å
858	T	35.5	Very low	40.5	Very low	65 Å²	65	108.2 Å²	108.2	40%	0.399	60%	0.603	S	S	.	*	H	α-helix	trans	-83.8	-15.5	179.2	-45	0	0	0	0	113.1	T854 T855 K856 N862	T854-T858 HydrophobicContact CG2-CG2 4.4Å; T855-T858 PolarHBondContact O-N 3.16Å; T855-T858 VanDerWaalsContact O-N 3.09Å; K856-T858 PolarHBondContact O-N 3.44Å; K856-T858 VanDerWaalsContact O-N 3.12Å; T858-N862 PolarHBondContact O-ND2 2.85Å
859	I	40.4	Very low	37.4	Very low	103 Å²	103	112.7 Å²	112.7	53%	0.528	63%	0.632	S	S	.	*	H	α-helix	trans	-74	-39.1	-176.7	-62	176.7	0	0	0	110.5	K856 A861 N862 F863	K856-I859 WeakPolarHBondContact O-CB 3.07Å; K856-I859 PolarHBondContact O-N 2.82Å; K856-I859 VanDerWaalsContact O-N 3.1Å; I859-A861 VanDerWaalsContact C-N 3.29Å; I859-A861 PolarHBondContact O-N 3.31Å; I859-N862 PolarHBondContact O-N 3.36Å; I859-F863 HydrophobicContact CG2-CE2 4.18Å; I859-F863 WeakPolarHBondContact O-CD2 3.42Å; I859-F863 WeakPolarHBondContact O-CE2 3.37Å
860	E	35.9	Very low	34.8	Very low	161 Å²	161	114.6 Å²	114.6	75%	0.752	65%	0.651	S	S	*	*	H	α-helix	trans	-66.8	-29.3	-178.7	-61.5	-170.9	163.9	0	0	112.9	N862	E860-N862 VanDerWaalsContact C-N 3.26Å; E860-N862 PolarHBondContact O-N 2.62Å
861	A	35.7	Very low	33	Very low	83 Å²	83	119.6 Å²	119.6	69%	0.686	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-3.8	-177.2	0	0	0	0	0	115.4	I859	I859-A861 VanDerWaalsContact C-N 3.29Å; I859-A861 PolarHBondContact O-N 3.31Å
862	N	34.1	Very low	31.7	Very low	124 Å²	124	121 Å²	121	66%	0.663	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	10.1	-179.1	-73.3	-86.7	0	0	0	114.1	T858 I859 E860 V864	T858-N862 PolarHBondContact O-ND2 2.85Å; I859-N862 PolarHBondContact O-N 3.36Å; E860-N862 VanDerWaalsContact C-N 3.26Å; E860-N862 PolarHBondContact O-N 2.62Å; N862-V864 VanDerWaalsContact C-N 3.25Å; N862-V864 PolarHBondContact O-N 3.27Å
863	F	33	Very low	31.2	Very low	151 Å²	151	122.4 Å²	122.4	66%	0.662	68%	0.676	S	S	*	*			trans	-73.7	78.9	169.3	-73.7	-85.4	0	0	0	111.2	I859 T865	I859-F863 HydrophobicContact CG2-CE2 4.18Å; I859-F863 WeakPolarHBondContact O-CD2 3.42Å; I859-F863 WeakPolarHBondContact O-CE2 3.37Å; F863-T865 PolarHBondContact O-N 2.85Å
864	V	28.3	Very low	30.7	Very low	120 Å²	120	119 Å²	119	73%	0.727	67%	0.668	S	S	*	*			trans	-69.4	107.1	151	179.6	0	0	0	0	106.3	N862 I866	N862-V864 VanDerWaalsContact C-N 3.25Å; N862-V864 PolarHBondContact O-N 3.27Å; V864-I866 HydrophobicContact CG1-CG1 3.97Å; V864-I866 PolarHBondContact O-N 3.35Å
865	T	25.8	Very low	30.6	Very low	125 Å²	125	121.8 Å²	121.8	77%	0.767	68%	0.678	S	S	*	*			trans	-68.8	78.4	175.8	-47.8	0	0	0	0	110	F863 S867	F863-T865 PolarHBondContact O-N 2.85Å; T865-S867 VanDerWaalsContact C-N 3.28Å; T865-S867 PolarHBondContact O-N 2.88Å
866	I	29.2	Very low	30.5	Very low	135 Å²	135	125.2 Å²	125.2	69%	0.692	69%	0.693	S	S	*	*			trans	-70.3	94	164.8	-56.7	-178	0	0	0	106.1	V864 N868	V864-I866 HydrophobicContact CG1-CG1 3.97Å; V864-I866 PolarHBondContact O-N 3.35Å; I866-N868 PolarHBondContact O-N 2.93Å
867	S	26.7	Very low	30.2	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	69%	0.691	S	S	*	*			trans	-61.3	107	168.8	53.4	0	0	0	0	108.4	T865 P869	T865-S867 VanDerWaalsContact C-N 3.28Å; T865-S867 PolarHBondContact O-N 2.88Å; S867-P869 VanDerWaalsContact O-CD 3.27Å; S867-P869 WeakPolarHBondContact O-CD 3.39Å; S867-P869 VanDerWaalsContact O-N 3.14Å
868	N	26.6	Very low	30.2	Very low	146 Å²	146	124.3 Å²	124.3	78%	0.781	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-56	118.5	168.1	-76.4	-10.1	0	0	0	108.1	I866	I866-N868 PolarHBondContact O-N 2.93Å
869	P	27.2	Very low	30.1	Very low	103 Å²	103	127.9 Å²	127.9	67%	0.669	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.9	147.7	162.8	30.2	-33.1	0	0	0	108	S867 I871	S867-P869 VanDerWaalsContact O-CD 3.27Å; S867-P869 WeakPolarHBondContact O-CD 3.39Å; S867-P869 VanDerWaalsContact O-N 3.14Å; P869-I871 PolarHBondContact O-N 2.96Å
870	P	26.7	Very low	29.7	Very low	99 Å²	99	130.8 Å²	130.8	64%	0.643	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-59.3	137.3	174	26.6	-34.3	0	0	0	109.5	N872	P870-N872 PolarHBondContact O-N 3.08Å
871	I	28.3	Very low	29.7	Very low	157 Å²	157	128.7 Å²	128.7	81%	0.805	73%	0.73	S	S	*	*			trans	-77.1	74.2	176.9	-55.2	-180	0	0	0	108.2	P869 T873	P869-I871 PolarHBondContact O-N 2.96Å; I871-T873 VanDerWaalsContact C-N 3.32Å; I871-T873 HydrophobicContact CG2-CG2 4.26Å; I871-T873 PolarHBondContact O-N 2.8Å
872	N	25	Very low	29.5	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	74%	0.742	S	S	*	*			trans	-70.9	86.7	174.6	-79.8	6.6	0	0	0	109.7	P870 T874	P870-N872 PolarHBondContact O-N 3.08Å; N872-T874 HydrophobicContact CB-CG2 4.46Å; N872-T874 PolarHBondContact O-N 3.38Å
873	T	26.4	Very low	29.2	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	75%	0.748	S	S	*	*			trans	-72.5	63.9	164.4	48.1	0	0	0	0	110.8	I871 I875	I871-T873 VanDerWaalsContact C-N 3.32Å; I871-T873 HydrophobicContact CG2-CG2 4.26Å; I871-T873 PolarHBondContact O-N 2.8Å; T873-I875 PolarHBondContact O-N 3Å; T873-I875 VanDerWaalsContact O-N 3.16Å
874	T	26.8	Very low	29.1	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	76%	0.757	S	S	*	*			trans	-78.4	92.6	169.9	47.7	0	0	0	0	109.6	N872 D876	N872-T874 HydrophobicContact CB-CG2 4.46Å; N872-T874 PolarHBondContact O-N 3.38Å; T874-D876 PolarHBondContact O-N 3.16Å
875	I	29.9	Very low	28.9	Very low	144 Å²	144	135 Å²	135	74%	0.738	76%	0.756	S	S	*	*			trans	-77.3	95.7	164.5	-59.4	173	0	0	0	107	T873 L877	T873-I875 PolarHBondContact O-N 3Å; T873-I875 VanDerWaalsContact O-N 3.16Å; I875-L877 HydrophobicContact CG2-CD2 4.45Å; I875-L877 HydrophobicContact CG2-CG 4.3Å; I875-L877 PolarHBondContact O-N 3Å
876	D	30.3	Very low	29.1	Very low	157 Å²	157	137 Å²	137	84%	0.84	76%	0.762	S	S	*	*			trans	-78.8	105.2	177.5	-160.5	-1.3	0	0	0	110.1	T874 N878	T874-D876 PolarHBondContact O-N 3.16Å; D876-N878 PolarHBondContact O-N 2.67Å
877	L	30	Very low	29.2	Very low	142 Å²	142	135.2 Å²	135.2	74%	0.743	76%	0.761	S	S	*	*			trans	-87.3	93.9	-176.5	-79.4	169.2	0	0	0	110.7	I875	I875-L877 HydrophobicContact CG2-CD2 4.45Å; I875-L877 HydrophobicContact CG2-CG 4.3Å; I875-L877 PolarHBondContact O-N 3Å
878	N	33	Very low	29.2	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	76%	0.764	S	S	*	*			trans	-164.8	155.5	153.5	-102.9	-48.8	0	0	0	115.8	D876	D876-N878 PolarHBondContact O-N 2.67Å
879	N	33.8	Very low	29.4	Very low	140 Å²	140	135.3 Å²	135.3	75%	0.749	77%	0.765	S	S	*	*			trans	72	86.8	159.7	-62.3	-32.8	0	0	0	121
880	N	31.2	Very low	29.6	Very low	163 Å²	163	135.4 Å²	135.4	87%	0.872	76%	0.764	S	S	*	*			trans	69.5	140.9	136.7	-89.1	-4.6	0	0	0	122.1
881	P	34.9	Very low	29.8	Very low	118 Å²	118	136.8 Å²	136.8	77%	0.766	77%	0.771	S	S	*	*			trans	-97.4	143.5	177.5	37.6	-32.7	0	0	0	113.7
882	E	31.7	Very low	29.8	Very low	198 Å²	198	134.4 Å²	134.4	93%	0.925	76%	0.763	S	S	*	*			trans	-150.5	168.2	154.1	-136.5	169.8	-146.2	0	0	111.5
883	I	27.8	Very low	29.9	Very low	155 Å²	155	134.2 Å²	134.2	80%	0.795	77%	0.766	S	S	*	*			trans	-100.9	119.4	-154.2	-57	165.4	0	0	0	112.8
884	V	30.7	Very low	29.9	Very low	142 Å²	142	133.7 Å²	133.7	86%	0.861	76%	0.763	S	S	*	*			trans	-141.2	134.8	155.8	-174.5	0	0	0	0	110.7
885	T	24.5	Very low	30.1	Very low	115 Å²	115	134.1 Å²	134.1	71%	0.706	77%	0.765	S	S	*	*			trans	-106.6	142.8	178.2	53.2	0	0	0	0	112.1
886	L	31	Very low	29.9	Very low	168 Å²	168	136 Å²	136	88%	0.88	77%	0.771	S	S	*	*			trans	167.6	144.8	152.2	-90.1	147.2	0	0	0	108.1
887	S	30.2	Very low	30	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	77%	0.767	S	S	*	*			cis	-171.7	131.1	-29.7	46.3	0	0	0	0	108.7
888	T	26.9	Very low	30	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	77%	0.77	S	S	*	*			trans	-96	149	175.5	54.7	0	0	0	0	112.7	T890	T888-T890 PolarHBondContact O-N 2.79Å; T888-T890 PolarHBondContact OG1-OG1 3.32Å
889	P	30.5	Very low	29.7	Very low	125 Å²	125	131.6 Å²	131.6	81%	0.812	77%	0.77	S	S	*	*			trans	-93.9	73.4	165.7	35.8	-31.3	0	0	0	111.1	T891	P889-T891 PolarHBondContact O-N 2.69Å
890	T	32.7	Very low	29.7	Very low	105 Å²	105	131.7 Å²	131.7	64%	0.644	78%	0.775	S	S	*	*			trans	-88.6	94.9	171.3	-47.5	0	0	0	0	109.9	T888 V892	T888-T890 PolarHBondContact O-N 2.79Å; T888-T890 PolarHBondContact OG1-OG1 3.32Å; T890-V892 HydrophobicContact CG2-CG2 3.92Å; T890-V892 PolarHBondContact O-N 3.44Å
891	T	29.3	Very low	29.5	Very low	128 Å²	128	130.5 Å²	130.5	79%	0.785	77%	0.769	S	S	*	*			trans	-74.1	89	178.3	-54.4	0	0	0	0	111.4	P889 V893	P889-T891 PolarHBondContact O-N 2.69Å; T891-V893 HydrophobicContact CG2-CG2 4.36Å
892	V	29.1	Very low	29.3	Very low	106 Å²	106	132.5 Å²	132.5	64%	0.642	77%	0.773	S	S	*	*			trans	-96.7	112.8	167.6	-170.3	0	0	0	0	108.9	T890 V894	T890-V892 HydrophobicContact CG2-CG2 3.92Å; T890-V892 PolarHBondContact O-N 3.44Å; V892-V894 HydrophobicContact CG1-CG2 3.88Å
893	V	28.1	Very low	29.2	Very low	118 Å²	118	128.1 Å²	128.1	72%	0.715	77%	0.765	S	S	*	*			trans	-91.3	112.3	169	179.6	0	0	0	0	108.5	T891 T895	T891-V893 HydrophobicContact CG2-CG2 4.36Å; V893-T895 HydrophobicContact CG1-CG2 4.44Å
894	V	26.2	Very low	29.4	Very low	108 Å²	108	126 Å²	126	66%	0.655	76%	0.763	S	S	*	*			trans	-106.7	121.6	170.5	-179.3	0	0	0	0	108.9	V892 Q896	V892-V894 HydrophobicContact CG1-CG2 3.88Å; V894-Q896 HydrophobicContact CG1-CG 4.35Å
895	T	31	Very low	29.3	Very low	127 Å²	127	125.9 Å²	125.9	78%	0.779	76%	0.758	S	S	*	*			trans	-123.7	113	166.4	49	0	0	0	0	109.2	V893	V893-T895 HydrophobicContact CG1-CG2 4.44Å
896	Q	25.5	Very low	29.7	Very low	184 Å²	184	129.2 Å²	129.2	86%	0.86	77%	0.765	S	S	*	*			trans	-87.5	132.1	175.1	-66.2	179.1	-12.7	0	0	110.8	V894	V894-Q896 HydrophobicContact CG1-CG 4.35Å
897	S	31.8	Very low	29.6	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	75%	0.749	S	S	*	*			trans	-161	98.1	154	56.6	0	0	0	0	112
898	T	30.8	Very low	29.6	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	76%	0.757	S	S	*	*			trans	25.8	117.4	145.2	53.4	0	0	0	0	120.4
899	S	27	Very low	29.7	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	76%	0.759	S	S	*	*			trans	-26	140.3	151.9	54.9	0	0	0	0	118.6
900	V	31.8	Very low	29.7	Very low	142 Å²	142	131.1 Å²	131.1	86%	0.861	76%	0.759	S	S	*	*				-143.6	156.2	115.1	-169.6	0	0	0	0	107.8
901	N	28.6	Very low	29.6	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	77%	0.766	S	S	*	*			trans	-62	153.1	166.9	-54.4	-16.8	0	0	0	110.1
902	D	30.6	Very low	29.7	Very low	159 Å²	159	133.6 Å²	133.6	85%	0.85	77%	0.766	S	S	*	*				-166.2	171.3	78.5	-98.7	-24.7	0	0	0	113.5
903	S	29.5	Very low	29.7	Very low	107 Å²	107	135 Å²	135	75%	0.748	77%	0.769	S	S	*	*			trans	-79.6	134.9	-176.2	56.1	0	0	0	0	114.6
904	S	31.5	Very low	29.9	Very low	110 Å²	110	137 Å²	137	77%	0.769	77%	0.774	S	S	*	*				168.2	156.3	119.4	49.1	0	0	0	0	113.9
905	N	29.7	Very low	30.2	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	78%	0.778	S	S	*	*			trans	-9.2	129.8	164.1	-49	-14.1	0	0	0	118.1
906	H	32.6	Very low	30.2	Very low	185 Å²	185	137.8 Å²	137.8	86%	0.856	78%	0.778	S	S	*	*				-170.1	159.8	95.7	-107.8	-82.3	0	0	0	112.1
907	M	28.2	Very low	30.7	Very low	109 Å²	109	135.9 Å²	135.9	54%	0.537	77%	0.774	S	S	.	*			trans	-77.9	148.6	166.7	-49.2	178.9	-152.7	0	0	110.1	Q538	Q538-M907 HydrophobicContact CG-CE 3.68Å; Q538-M907 HydrophobicContact CG-SD 3.78Å; Q538-M907 PolarHBondContact NE2-SD 3.49Å
908	N	31	Very low	30.7	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	78%	0.778	S	S	*	*				-165.2	165	128.1	-112	-4.3	0	0	0	113
909	E	27.7	Very low	30.8	Very low	166 Å²	166	137.1 Å²	137.1	78%	0.776	77%	0.774	S	S	*	*			trans	-65	157.3	178.9	-55	168.2	129.5	0	0	112.4
910	S	31.8	Very low	31.1	Very low	117 Å²	117	137 Å²	137	82%	0.818	77%	0.773	S	S	*	*			trans	-154.4	83.5	166.4	-77.5	0	0	0	0	111.5	S912	S910-S912 PolarHBondContact O-N 3.29Å
911	H	30.2	Very low	31.1	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.796	77%	0.768	S	S	*	*			trans	-59.6	130	157.4	-76.6	-92.7	0	0	0	109.2
912	S	31.2	Very low	31.4	Very low	112 Å²	112	138 Å²	138	78%	0.783	77%	0.77	S	S	*	*			trans	-119.3	98.1	166.3	40.3	0	0	0	0	109.5	S910	S910-S912 PolarHBondContact O-N 3.29Å
913	I	29.4	Very low	31.3	Very low	135 Å²	135	137.7 Å²	137.7	69%	0.692	77%	0.769	S	S	*	*			trans	-83.9	119.9	173.5	-63.9	167.1	0	0	0	107.7
914	I	32.7	Very low	31.6	Very low	162 Å²	162	137.6 Å²	137.6	83%	0.831	77%	0.765	S	S	*	*			trans	-97.6	99.1	166.7	-60.9	180	0	0	0	107.6
915	N	31.5	Very low	31.6	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	77%	0.773	S	S	*	*			trans	-76.6	125.5	168.8	-85.8	-13.5	0	0	0	109.8
916	S	32.2	Very low	31.5	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	77%	0.774	S	S	*	*			trans	-100.4	102	172.2	58.2	0	0	0	0	111
917	N	35.3	Very low	31.5	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	77%	0.771	S	S	*	*			trans	-117.4	104.9	164.5	-78.4	-3.2	0	0	0	108.9
918	D	31.3	Very low	31.5	Very low	155 Å²	155	136.5 Å²	136.5	83%	0.829	78%	0.78	S	S	*	*				173.5	139.5	104.3	-99.9	-31.1	0	0	0	110.9
919	P	34.1	Very low	31.3	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	78%	0.778	S	S	*	*			trans	-89.3	151.6	170.8	35.4	-32.5	0	0	0	111.6
920	S	32.6	Very low	31.6	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	79%	0.785	S	S	*	*				154.9	167.5	122.6	59.6	0	0	0	0	116.3
921	I	32.2	Very low	31.3	Very low	148 Å²	148	139.6 Å²	139.6	76%	0.759	79%	0.785	S	S	*	*			trans	74.2	134.6	159.5	-8.4	-178.8	0	0	0	121.1
922	I	33.6	Very low	31.4	Very low	153 Å²	153	139.4 Å²	139.4	79%	0.785	79%	0.789	S	S	*	*			trans	72.1	131.8	161	-44.3	-178	0	0	0	116.5
923	N	29.5	Very low	31.1	Very low	152 Å²	152	140.7 Å²	140.7	81%	0.813	79%	0.786	S	S	*	*			cis	-167.8	167.4	-39.4	-124.3	4	0	0	0	106.9
924	P	34.5	Very low	31.3	Very low	104 Å²	104	141.6 Å²	141.6	68%	0.675	79%	0.793	S	S	*	*			trans	-92.1	160.9	-165.4	36.2	-36.9	0	0	0	115.5
925	L	31.6	Very low	31.3	Very low	179 Å²	179	138.6 Å²	138.6	94%	0.937	79%	0.786	S	S	*	*			trans	-137.8	146.1	157.8	-96	172.6	0	0	0	110.9
926	T	28.6	Very low	31.5	Very low	125 Å²	125	137.8 Å²	137.8	77%	0.767	79%	0.791	S	S	*	*			trans	-131.4	126.5	-170	51.6	0	0	0	0	112.6
927	S	31.7	Very low	31.6	Very low	112 Å²	112	136 Å²	136	78%	0.783	79%	0.791	S	S	*	*			trans	-171.2	122.3	160.1	48.9	0	0	0	0	107.1
928	S	28.7	Very low	31.3	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	79%	0.793	S	S	*	*			cis	70.6	110.2	42.2	-53.5	0	0	0	0	113.4
929	D	27.9	Very low	31.3	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	80%	0.795	S	S	*	*			trans	49.2	111.9	155.4	-50.4	-29.3	0	0	0	119.9
930	H	33.8	Very low	31	Very low	198 Å²	198	142.3 Å²	142.3	92%	0.917	80%	0.8	S	S	*	*			trans	-148.2	119.9	136.1	-111.4	-74.4	0	0	0	112.1
931	L	25.3	Very low	30.8	Very low	158 Å²	158	142.8 Å²	142.8	83%	0.827	80%	0.801	S	S	*	*			trans	-70.9	156.6	166.8	-67.7	154.2	0	0	0	110.6
932	L	31	Very low	30.7	Very low	167 Å²	167	142.2 Å²	142.2	87%	0.874	80%	0.803	S	S	*	*				-165.9	156.6	124.6	-104.8	168.1	0	0	0	112.2
933	L	26	Very low	30.4	Very low	139 Å²	139	139.9 Å²	139.9	73%	0.728	80%	0.801	S	S	*	*			trans	-87.2	166.7	-178.7	-66.1	78	0	0	0	111.3
934	N	33.1	Very low	30.2	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	80%	0.797	S	S	*	*				-165.2	135.5	116.2	-96.9	-21.7	0	0	0	114.8
935	S	33.9	Very low	29.9	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	80%	0.801	S	S	*	*			trans	21.6	142.1	144.4	57.8	0	0	0	0	121.8
936	S	34.8	Very low	29.6	Very low	121 Å²	121	140 Å²	140	85%	0.846	79%	0.79	S	S	*	*			cis	-174.2	140.4	-1.7	45.3	0	0	0	0	112
937	G	34	Very low	29.6	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	80%	0.799	S	S	*	*			trans	-173.2	114.9	168.5	0	0	0	0	0	111.4
938	N	29.3	Very low	29.5	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	79%	0.793	S	S	*	*			trans	-76.9	149.9	174.9	-61.6	-70.1	0	0	0	109.5
939	I	31.3	Very low	29.4	Very low	170 Å²	170	143 Å²	143	87%	0.872	79%	0.793	S	S	*	*				-138	161.4	82.5	-85.4	162.2	0	0	0	111.8
940	R	27.5	Very low	29.5	Very low	221 Å²	221	142 Å²	142	83%	0.834	79%	0.788	S	S	*	*			trans	-99	164.3	-172.8	-94.7	-174.1	175.5	-166.5	-0.8	113.9
941	P	28.9	Very low	29.2	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	78%	0.779	S	S	*	*			trans	-89	165.1	-172.4	37.1	-37.7	0	0	0	113.9
942	V	29.8	Very low	29.4	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	78%	0.777	S	S	*	*			trans	-137.5	126.3	156.2	-178.4	0	0	0	0	109.3	N944	V942-N944 WeakPolarHBondContact CG1-O 3.38Å
943	S	26.7	Very low	29.2	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	77%	0.77	S	S	*	*			trans	-109.2	156	156.4	53.4	0	0	0	0	108.8
944	N	25.7	Very low	29.3	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	78%	0.776	S	S	*	*			trans	68.4	128.3	-162.7	-48	-34	0	0	0	111.8	V942	V942-N944 WeakPolarHBondContact CG1-O 3.38Å
945	I	28.7	Very low	29.1	Very low	147 Å²	147	135.9 Å²	135.9	75%	0.754	77%	0.77	S	S	*	*				-150.9	133.3	72.6	-89.6	157.3	0	0	0	111.2
946	Q	24.8	Very low	28.7	Very low	152 Å²	152	137.7 Å²	137.7	71%	0.71	77%	0.771	S	S	*	*			trans	29.2	118.2	152.2	-59.6	166.4	-48.1	0	0	119.3	T948	Q946-T948 HydrophobicContact CG-CG2 4.48Å
947	N	28	Very low	28.5	Very low	176 Å²	176	139.9 Å²	139.9	94%	0.941	77%	0.774	S	S	*	*				-124.7	119.9	117	-113.9	-15.2	0	0	0	107.9
948	T	30.3	Very low	28.2	Very low	107 Å²	107	142 Å²	142	66%	0.656	77%	0.767	S	S	*	*			trans	-87.4	156.6	-175.8	42.2	0	0	0	0	111.4	Q946 N950	Q946-T948 HydrophobicContact CG-CG2 4.48Å; T948-N950 PolarHBondContact O-N 3.15Å
949	T	26.6	Very low	28.3	Very low	121 Å²	121	141 Å²	141	74%	0.742	76%	0.762	S	S	*	*			trans	-55.4	134.3	158.6	52.3	0	0	0	0	109.8
950	N	29.9	Very low	28.4	Very low	130 Å²	130	141.1 Å²	141.1	70%	0.695	76%	0.764	S	S	*	*				176.4	146.3	115.8	-84.5	6.1	0	0	0	110.4	T948	T948-N950 PolarHBondContact O-N 3.15Å
951	D	27.9	Very low	28.4	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	76%	0.763	S	S	*	*			trans	17.4	115.6	143.5	-41.9	-44.9	0	0	0	118.8
952	E	29.8	Very low	28.5	Very low	169 Å²	169	140.2 Å²	140.2	79%	0.79	76%	0.761	S	S	*	*				-143.8	128.1	118.4	-129.8	169.9	-152.2	0	0	111
953	V	27	Very low	28.6	Very low	120 Å²	120	142.6 Å²	142.6	73%	0.727	76%	0.763	S	S	*	*			trans	-111.2	155.5	175.3	-179.8	0	0	0	0	106.6
954	L	27.9	Very low	28.6	Very low	163 Å²	163	142.5 Å²	142.5	85%	0.853	76%	0.762	S	S	*	*			trans	79.1	150.3	-176.5	-43.2	170.9	0	0	0	112.6
955	S	29.2	Very low	28.8	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	77%	0.768	S	S	*	*			cis	-143.6	141.7	-0.8	57.8	0	0	0	0	112.4
956	L	25.6	Very low	28.8	Very low	137 Å²	137	143 Å²	143	72%	0.717	77%	0.772	S	S	*	*			trans	11.4	127.8	138.2	-67.8	154.2	0	0	0	117.5
957	N	30.5	Very low	29	Very low	167 Å²	167	142.3 Å²	142.3	89%	0.893	77%	0.77	S	S	*	*				-139.9	126.5	122	-133.3	-7.6	0	0	0	110.6
958	N	27.9	Very low	29	Very low	119 Å²	119	139.6 Å²	139.6	64%	0.636	76%	0.76	S	S	*	*			trans	-83.3	135	174.6	-67.8	-57.8	0	0	0	108.9
959	N	30	Very low	28.9	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	76%	0.764	S	S	*	*			trans	157.7	106.8	130	-78.2	-25.1	0	0	0	109.1
960	D	32.8	Very low	29.1	Very low	172 Å²	172	142.2 Å²	142.2	92%	0.92	76%	0.763	S	S	*	*				-147.6	162.4	101.2	-105.9	-36.3	0	0	0	110.5
961	R	28.8	Very low	28.9	Very low	216 Å²	216	143 Å²	143	82%	0.815	76%	0.762	S	S	*	*			trans	-120.1	157.4	-163.7	-79.8	177.7	165.9	177	-4.8	112.9
962	S	31.5	Very low	29.1	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	76%	0.761	S	S	*	*			trans	75.6	141.6	165.4	85.2	0	0	0	0	115.4
963	H	31.8	Very low	29	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.856	76%	0.755	S	S	*	*			cis	-123.9	139.5	-5.3	-90.6	-79.4	0	0	0	111.1
964	S	26	Very low	29.2	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	76%	0.762	S	S	*	*			trans	-111.5	126.4	173.7	58.4	0	0	0	0	111.1
965	T	30.8	Very low	29.5	Very low	142 Å²	142	144.5 Å²	144.5	87%	0.871	76%	0.762	S	S	*	*			trans	-121.4	96.4	165.1	21.6	0	0	0	0	109.2	M967	T965-M967 PolarHBondContact O-N 3.32Å
966	N	26.8	Very low	29.4	Very low	156 Å²	156	148 Å²	148	83%	0.834	77%	0.771	S	S	*	*			trans	-65.1	121	174.5	-72.1	-21.1	0	0	0	110.1
967	M	29.3	Very low	29.8	Very low	136 Å²	136	149.4 Å²	149.4	67%	0.67	78%	0.779	S	S	*	*			trans	-109.4	107.3	163.4	-109.6	-72	-166.3	0	0	107.7	T965 I969	T965-M967 PolarHBondContact O-N 3.32Å; M967-I969 PolarHBondContact O-N 3.27Å
968	T	27.7	Very low	30	Very low	119 Å²	119	146.9 Å²	146.9	73%	0.73	77%	0.772	S	S	*	*			trans	-62.4	118.5	-176.9	-53.1	0	0	0	0	110.7	I970	T968-I970 PolarHBondContact O-N 3.45Å; T968-I970 VanDerWaalsContact O-N 3.13Å
969	I	29.7	Very low	30	Very low	145 Å²	145	149 Å²	149	74%	0.744	78%	0.783	S	S	*	*			trans	-71.7	106.4	167.8	-60.6	176.9	0	0	0	107.4	M967 H971	M967-I969 PolarHBondContact O-N 3.27Å; I969-H971 PolarHBondContact O-N 2.83Å
970	I	29.5	Very low	30.2	Very low	139 Å²	139	150.9 Å²	150.9	71%	0.713	79%	0.792	S	S	*	*			trans	-77.9	106.4	167.8	-60.1	177.1	0	0	0	106.8	T968 T972	T968-I970 PolarHBondContact O-N 3.45Å; T968-I970 VanDerWaalsContact O-N 3.13Å; I970-T972 HydrophobicContact CG2-CG2 4.24Å; I970-T972 PolarHBondContact O-N 3.45Å
971	H	26.4	Very low	30.1	Very low	145 Å²	145	147 Å²	147	67%	0.671	78%	0.779	S	S	*	*			trans	-64.4	127.8	162.6	-100	-109.3	0	0	0	109.1	I969 D973	I969-H971 PolarHBondContact O-N 2.83Å; H971-D973 IonicContact CG-OD1 3.4Å; H971-D973 IonicContact ND1-OD1 3.93Å; H971-D973 PolarHBondContact ND1-OD1 3.07Å
972	T	31.3	Very low	30.3	Very low	115 Å²	115	144.1 Å²	144.1	71%	0.706	77%	0.774	S	S	*	*			trans	-120.4	92.2	159.9	54.6	0	0	0	0	106.9	I970	I970-T972 HydrophobicContact CG2-CG2 4.24Å; I970-T972 PolarHBondContact O-N 3.45Å
973	D	28.2	Very low	30.5	Very low	125 Å²	125	146.5 Å²	146.5	67%	0.668	77%	0.773	S	S	*	*			trans	-67	148.2	175.4	-50.9	-54.3	0	0	0	109.5	H971	H971-D973 IonicContact CG-OD1 3.4Å; H971-D973 IonicContact ND1-OD1 3.93Å; H971-D973 PolarHBondContact ND1-OD1 3.07Å
974	Y	31.8	Very low	30.4	Very low	225 Å²	225	142.7 Å²	142.7	88%	0.882	77%	0.768	S	S	*	*			trans	-128.3	123.8	170.3	-107.5	-81.9	0	0	0	108.5
975	D	33.7	Very low	30.8	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	77%	0.773	S	S	*	*			trans	-69.1	149.4	-163.8	-76.6	-64.6	0	0	0	115.2
976	L	28.3	Very low	30.8	Very low	172 Å²	172	147 Å²	147	90%	0.901	77%	0.77	S	S	*	*			trans	-76.4	128.7	168	-68.7	159.8	0	0	0	110.3
977	L	33.6	Very low	31.5	Very low	167 Å²	167	144.4 Å²	144.4	87%	0.874	76%	0.762	S	S	*	*			trans	-129.2	139.3	161	-81	173.4	0	0	0	110.6
978	P	33.6	Very low	31.7	Very low	115 Å²	115	147.4 Å²	147.4	75%	0.747	79%	0.788	S	S	*	*			trans	-93.2	165.5	-166.2	37.1	-37.7	0	0	0	114.7
979	D	28.6	Very low	31.9	Very low	163 Å²	163	148.8 Å²	148.8	87%	0.872	79%	0.79	S	S	*	*			trans	-52.3	135.8	169.7	-90.2	-53.4	0	0	0	113.5
980	L	34.4	Very low	32.1	Very low	171 Å²	171	149 Å²	149	90%	0.895	79%	0.793	S	S	*	*			trans	-134.8	115.7	153.7	-88.5	175.6	0	0	0	110.4
981	S	29.5	Very low	32.2	Very low	91 Å²	91	149.6 Å²	149.6	64%	0.636	80%	0.797	S	S	*	*			trans	-66.3	144.3	172.6	53.4	0	0	0	0	112.3
982	H	34	Very low	32.5	Very low	154 Å²	154	149.8 Å²	149.8	71%	0.713	81%	0.805	S	S	*	*				-179.6	151.8	114.8	-100.8	-76.7	0	0	0	114
983	H	35	Very low	32.6	Very low	152 Å²	152	152 Å²	152	70%	0.704	81%	0.811	S	S	*	*			trans	46.6	101.8	155.2	-64.8	-56.7	0	0	0	121.7
984	S	30.2	Very low	32.9	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	82%	0.82	S	S	*	*				13.6	123.1	117.2	-37.7	0	0	0	0	119
985	I	34.5	Very low	33	Very low	161 Å²	161	148.7 Å²	148.7	83%	0.826	82%	0.816	S	S	*	*				-166.6	131.5	124.7	-95.6	148.1	0	0	0	108.3
986	H	29.9	Very low	32.9	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.806	81%	0.814	S	S	*	*			trans	-109.5	145.7	163.4	-123.6	-92.2	0	0	0	107.9	T988	H986-T988 PolarHBondContact ND1-O 3.24Å
987	P	41.7	Very low	33.3	Very low	102 Å²	102	146.1 Å²	146.1	66%	0.662	81%	0.807	S	S	*	*			trans	-127.4	148.5	139.5	35.8	-27.3	0	0	0	111.6
988	T	34.9	Very low	33.3	Very low	198 Å²	198	144.2 Å²	144.2	100%	1.215	80%	0.801	S	S	*	*			trans	61.9	0	-171.2	57	0	0	0	0	115.6	H986	H986-T988 PolarHBondContact ND1-O 3.24Å

Retrieved 988 of 988 residues in 722.7 ms (Link to these results)

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