A0A3Q0KDQ1_SCHMA Loading...

RNA helicase

AlphaFold DB (A0A5K4EBV3), UniProt , Accession A0A3Q0KDQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 915 aa.

						>A0A3Q0KDQ1_SCHMA|A0A3Q0KDQ1
MSSPKRRCFRQRNASESSEEDEIVESEKSGESSGFEEYEKEELTRQNDLKERDAFVKRLVDRDQQQSKGVSSRSTSKHEEALRKITSGEVSREEMIAELRKESRRTYLRKRQSDKLADLQAEIQDEELFFENEELTENEKAELLYKKTILAVAKSHQQAGELENIFRYYIPTEEKRPEDHELKGSESKLNDEGKRWEQEHLSSALYSFGAKDKVEQEVKYDLVLDDEIEFLKTLTRPGANIEQEVSADEEQKRKATDRREALQEAKRSLPIYKFRDALLQAIADHQVLIIEGETGSGKTTQIPQYLYEAGYCNGGKRIGCTQPRRVAAMSVAARVSQEMSVRLGSEVGYSIRFEDCTSEHTVIKYMTDGMLLREFLTEPDLGSYSVMIIDEAHERTLHTDILFGLVKDVARFRSDLKLLISSATLDAEKFATFFDDAPVFRIPGRRYPVDIYYTKAPEADYIEAAIISILQIHVTQPPGDILVFLTGQEEIETANELLMERTRKLGSKIRELIILPIYSSLPSDMQAKIFAPTPPGARKVVLATNIAETSLTIDGIIYVIDTGFCKQKFYSARSGVESLIVVPISQAAADQRAGRAGRVAAGKCFRLYTSHAYHTELDPQPIPEIQRTNLGNVVLLLKSLGIDDLLHFDYMDPPPHDALIMALEQLYALGALNHKGELTKMGRQMAEFPCNPQLSKMILASDKYKCSGDIITIASMLSVNNAIFYRPKDKLIHADTARKSFSHVAGDHIMLLNVYNQWAESDFSSHWCYEQFIQYRTMKRARDIRDQFVGLLDRVEIDLVNNPHDHVNIRKAITAGFFYHTARFTGDGYKTVKQKHTIYPHPNSCLSEALPKWVIYHELVYTTKEFMRQIIEIESKWLLEVAPHYYKEKEIEYTTEKVSRNKGKSRAELEPTEGV
					

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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	32.7	Very low	31.8	Very low	247 Å²	247	184.9 Å²	184.9	100%	1.217	89%	0.892	S	S	*	*				0	63.4	0	-71.9	-171.9	171.6	0	0	110.4
2	S	35.3	Very low	31.6	Very low	119 Å²	119	189.7 Å²	189.7	83%	0.832	89%	0.894	S	S	*	*			trans	-100.2	94.6	178	52.5	0	0	0	0	108.9
3	S	33.1	Very low	31.5	Very low	108 Å²	108	186.8 Å²	186.8	76%	0.755	89%	0.888	S	S	*	*			trans	-61	134.8	174.4	29	0	0	0	0	110.6	K5	S3-K5 PolarHBondContact O-N 2.68Å
4	P	38.5	Very low	31.5	Very low	120 Å²	120	180.7 Å²	180.7	78%	0.779	89%	0.885	S	S	*	*			trans	-75.1	128.4	-170.6	28.3	-31.6	0	0	0	111.1	R6	P4-R6 PolarHBondContact O-N 3.47Å
5	K	34.3	Very low	31.6	Very low	213 Å²	213	175.9 Å²	175.9	93%	0.926	88%	0.876	S	S	*	*			trans	-57	100.7	178.1	-72.4	178	175.7	177.3	0	110.8	S3 R7	S3-K5 PolarHBondContact O-N 2.68Å; K5-R7 PolarHBondContact O-N 3.03Å
6	R	34.1	Very low	31.6	Very low	244 Å²	244	177.2 Å²	177.2	92%	0.921	88%	0.879	S	S	*	*			trans	-66.3	116.2	167.3	-83.1	-178.2	169.6	-178.2	-3.3	109	P4 C8	P4-R6 PolarHBondContact O-N 3.47Å; R6-C8 PolarHBondContact O-N 3.01Å
7	R	29.7	Very low	31.6	Very low	232 Å²	232	173.2 Å²	173.2	88%	0.875	87%	0.872	S	S	*	*			trans	-67	110.2	172.3	-78.3	178.2	165.5	176.9	-4.6	109.3	K5 F9	K5-R7 PolarHBondContact O-N 3.03Å; R7-F9 PolarHBondContact O-N 3.06Å; R7-F9 VanDerWaalsContact O-N 3.16Å
8	C	26.6	Very low	31.5	Very low	133 Å²	133	169.8 Å²	169.8	90%	0.899	87%	0.867	S	S	*	*			trans	-67.6	102.3	171.7	-85.1	0	0	0	0	110.5	R6 R10	R6-C8 PolarHBondContact O-N 3.01Å; C8-R10 PolarHBondContact O-N 3.04Å
9	F	29.5	Very low	31.6	Very low	196 Å²	196	170.4 Å²	170.4	86%	0.86	87%	0.866	S	S	*	*			trans	-73.7	118	161.1	-89.8	-88.8	0	0	0	108.7	R7 Q11	R7-F9 PolarHBondContact O-N 3.06Å; R7-F9 VanDerWaalsContact O-N 3.16Å; F9-Q11 PolarHBondContact O-N 2.96Å; F9-Q11 VanDerWaalsContact O-N 3.08Å
10	R	27.2	Very low	31.5	Very low	243 Å²	243	171.6 Å²	171.6	92%	0.917	87%	0.868	S	S	*	*			trans	-67.9	100.1	180	-158.6	175.6	-175.4	172.8	0.5	108.6	C8 R12	C8-R10 PolarHBondContact O-N 3.04Å; R10-R12 PolarHBondContact O-N 2.63Å
11	Q	29.2	Very low	31.5	Very low	179 Å²	179	170 Å²	170	84%	0.836	86%	0.862	S	S	*	*			trans	-61.6	116.3	169.6	-84.2	177.5	-31.5	0	0	108.6	F9 N13	F9-Q11 PolarHBondContact O-N 2.96Å; F9-Q11 VanDerWaalsContact O-N 3.08Å; Q11-N13 PolarHBondContact O-N 2.98Å
12	R	28.6	Very low	31.3	Very low	242 Å²	242	167.3 Å²	167.3	91%	0.913	85%	0.846	S	S	*	*			trans	-75.9	113.8	168.8	-88.5	179.8	169	170	-3.8	107.6	R10 A14	R10-R12 PolarHBondContact O-N 2.63Å; R12-A14 PolarHBondContact O-N 3.41Å
13	N	30.8	Very low	31.2	Very low	153 Å²	153	169.1 Å²	169.1	82%	0.818	85%	0.845	S	S	*	*			trans	-61.5	120.1	171.2	-70.7	-17.8	0	0	0	109.2	Q11 S15	Q11-N13 PolarHBondContact O-N 2.98Å; N13-S15 PolarHBondContact O-N 3.41Å
14	A	31.4	Very low	31.2	Very low	101 Å²	101	169.9 Å²	169.9	84%	0.835	85%	0.845	S	S	*	*			trans	-74.2	106.3	167.5	0	0	0	0	0	107.8	R12	R12-A14 PolarHBondContact O-N 3.41Å
15	S	33.1	Very low	30.7	Very low	108 Å²	108	173.3 Å²	173.3	76%	0.755	85%	0.85	S	S	*	*			trans	-81.2	118.7	166.8	49	0	0	0	0	108.5	N13 S17	N13-S15 PolarHBondContact O-N 3.41Å; S15-S17 PolarHBondContact O-N 2.94Å
16	E	31.3	Very low	30.6	Very low	197 Å²	197	168.1 Å²	168.1	92%	0.921	84%	0.841	S	S	*	*			trans	-59.3	117	166.3	-66.9	169.9	159.8	0	0	109.3
17	S	31.7	Very low	30.4	Very low	109 Å²	109	165.6 Å²	165.6	76%	0.762	84%	0.84	S	S	*	*			trans	-137.2	102	159.2	61.1	0	0	0	0	107.5	S15	S15-S17 PolarHBondContact O-N 2.94Å
18	S	30.2	Very low	30.6	Very low	112 Å²	112	161.8 Å²	161.8	78%	0.783	83%	0.83	S	S	*	*			trans	-53.5	129.3	162.9	48.6	0	0	0	0	111
19	E	32.6	Very low	31.1	Very low	181 Å²	181	161.2 Å²	161.2	85%	0.846	83%	0.827	S	S	*	*			trans	-161.5	104	142.4	-106.7	162.6	-154.2	0	0	106.6	D21	E19-D21 PolarHBondContact O-N 3.45Å
20	E	29.7	Very low	31.6	Very low	195 Å²	195	155 Å²	155	91%	0.911	82%	0.818	S	S	*	*			trans	-71	101.1	170.1	-68.4	176.2	156.9	0	0	107.6
21	D	32.8	Very low	32.3	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	80%	0.803	S	S	*	*			trans	-113.1	104.9	161.3	-84.8	-32.1	0	0	0	108.2	E19 I23	E19-D21 PolarHBondContact O-N 3.45Å; D21-I23 PolarHBondContact O-N 2.86Å
22	E	28.5	Very low	33.2	Very low	192 Å²	192	144.8 Å²	144.8	90%	0.897	79%	0.79	S	S	*	*			trans	-57.2	94.6	169.8	-73.5	-178.5	141.8	0	0	110	V24	E22-V24 PolarHBondContact O-N 3.25Å
23	I	33	Very low	34.2	Very low	157 Å²	157	137.5 Å²	137.5	81%	0.805	78%	0.776	S	S	*	*			trans	-89	103	167.2	-59.5	176.3	0	0	0	107.8	D21 E25	D21-I23 PolarHBondContact O-N 2.86Å; I23-E25 PolarHBondContact O-N 3.12Å
24	V	31.8	Very low	35.2	Very low	124 Å²	124	132.1 Å²	132.1	75%	0.752	76%	0.757	S	S	*	*			trans	-39.8	117.5	173.8	177.8	0	0	0	0	112	E22 S26	E22-V24 PolarHBondContact O-N 3.25Å; V24-S26 PolarHBondContact O-N 3.22Å
25	E	29.6	Very low	36.7	Very low	191 Å²	191	133.6 Å²	133.6	89%	0.893	75%	0.745	S	S	*	*			trans	-57.8	101.5	170.3	-72.5	-179.6	151.1	0	0	109.8	I23	I23-E25 PolarHBondContact O-N 3.12Å
26	S	31.3	Very low	38.5	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	73%	0.733	S	S	*	*			trans	-99.3	120.3	163.2	47.5	0	0	0	0	108.6	V24 K28	V24-S26 PolarHBondContact O-N 3.22Å; S26-K28 PolarHBondContact O-N 2.77Å
27	E	30.3	Very low	40.5	Very low	191 Å²	191	130.4 Å²	130.4	89%	0.893	72%	0.718	S	S	*	*			trans	-48.6	102.8	-174.8	-62.7	173.9	148.8	0	0	113
28	K	33	Very low	42.6	Very low	152 Å²	152	130.7 Å²	130.7	66%	0.661	70%	0.703	S	S	*	*			trans	-99.9	74.9	159.8	-82.3	-172.8	164.5	-159.4	0	109.7	S26 G30 E31	S26-K28 PolarHBondContact O-N 2.77Å; K28-G30 PolarHBondContact O-N 2.82Å; K28-E31 IonicContact NZ-OE1 2.83Å; K28-E31 PolarHBondContact NZ-OE1 3.44Å; K28-E31 IonicContact NZ-OE2 3.87Å
29	S	37	Very low	44.8	Very low	120 Å²	120	130.6 Å²	130.6	84%	0.839	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	19	177.2	52.7	0	0	0	0	114.5
30	G	39.9	Very low	46.9	Very low	66 Å²	66	128.2 Å²	128.2	68%	0.68	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-14.5	178.7	0	0	0	0	0	116.1	K28	K28-G30 PolarHBondContact O-N 2.82Å
31	E	42.2	Very low	49.2	Very low	126 Å²	126	122.9 Å²	122.9	59%	0.589	65%	0.652	S	S	*	*	S	Bend	trans	-95.2	-10.6	-169.8	-73.9	174.6	-171.3	0	0	114.2	K28 S33	K28-E31 IonicContact NZ-OE1 2.83Å; K28-E31 PolarHBondContact NZ-OE1 3.44Å; K28-E31 IonicContact NZ-OE2 3.87Å; E31-S33 PolarHBondContact O-N 3.35Å
32	S	48.7	Very low	51.4	Low	81 Å²	81	117.8 Å²	117.8	57%	0.566	62%	0.624	S	S	*	*	H	α-helix	trans	-69.5	-33.6	-173.5	144.8	0	0	0	0	114.8	F35 E36	S32-F35 PolarHBondContact O-N 2.82Å; S32-E36 PolarHBondContact O-N 3.47Å
33	S	49.2	Very low	53.9	Low	89 Å²	89	113.6 Å²	113.6	62%	0.622	61%	0.607	S	S	*	*	H	α-helix	trans	-69.9	-37.9	-176.8	66.9	0	0	0	0	113.3	E31 F35 E37	E31-S33 PolarHBondContact O-N 3.35Å; S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.15Å; S33-E37 PolarHBondContact O-N 2.9Å
34	G	52.7	Low	56.1	Low	40 Å²	40	110.4 Å²	110.4	41%	0.412	60%	0.595	S	S	.	*	H	α-helix	trans	-70.8	-30.4	179	0	0	0	0	0	112.9	Y38	G34-Y38 WeakPolarHBondContact O-CB 3.42Å; G34-Y38 PolarHBondContact O-N 2.96Å
35	F	63.1	Low	58.3	Low	133 Å²	133	107.2 Å²	107.2	58%	0.583	57%	0.569	S	S	*	*	H	α-helix	trans	-69.1	-42.3	178.1	-151.4	-93.5	0	0	0	111.6	S32 S33 Y38 E39	S32-F35 PolarHBondContact O-N 2.82Å; S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.15Å; F35-Y38 PolarHBondContact O-N 3.31Å; F35-E39 HydrophobicContact CD1-CG 4.16Å; F35-E39 HydrophobicContact CE1-CG 4.19Å; F35-E39 VanDerWaalsContact CE1-OE1 3.26Å; F35-E39 WeakPolarHBondContact CE1-OE1 2.97Å; F35-E39 WeakPolarHBondContact O-CG 3.28Å; F35-E39 PolarHBondContact O-N 3.42Å
36	E	70.8	Confident	60.7	Low	107 Å²	107	102.8 Å²	102.8	50%	0.5	55%	0.549	S	S	.	.	H	α-helix	trans	-65.7	-37.8	176.2	-72	-172.7	-172.7	0	0	113.2	S32 K40	S32-E36 PolarHBondContact O-N 3.47Å; E36-K40 WeakPolarHBondContact O-CG 3.19Å; E36-K40 PolarHBondContact O-N 2.75Å; E36-K40 VanDerWaalsContact O-N 3.13Å
37	E	72.8	Confident	63.1	Low	131 Å²	131	101.7 Å²	101.7	61%	0.612	54%	0.535	S	S	*	.	H	α-helix	trans	-64.8	-46	174.1	-80.6	-173.5	165.6	0	0	111.2	S33 E39 K40 E41	S33-E37 PolarHBondContact O-N 2.9Å; E37-E39 PolarHBondContact O-N 3.33Å; E37-K40 PolarHBondContact O-N 3.47Å; E37-E41 WeakPolarHBondContact O-CG 3.46Å; E37-E41 PolarHBondContact O-N 2.97Å
38	Y	74.7	Confident	65.5	Low	114 Å²	114	94 Å²	94	45%	0.447	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.5	-179.8	-98.2	0	0	0	112.5	G34 F35 K40 E41 E42	G34-Y38 WeakPolarHBondContact O-CB 3.42Å; G34-Y38 PolarHBondContact O-N 2.96Å; F35-Y38 PolarHBondContact O-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.37Å; Y38-E41 PolarHBondContact O-N 3.38Å; Y38-E42 HydrophobicContact CD1-CG 4.36Å; Y38-E42 HydrophobicContact CE1-CG 3.77Å; Y38-E42 HydrophobicContact CE2-CG 4.3Å; Y38-E42 PolarHBondContact O-N 2.92Å
39	E	76.9	Confident	67.7	Low	111 Å²	111	89.7 Å²	89.7	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.3	-76.8	-171.9	164.7	0	0	112.3	F35 E37 E42 L43	F35-E39 HydrophobicContact CD1-CG 4.16Å; F35-E39 HydrophobicContact CE1-CG 4.19Å; F35-E39 VanDerWaalsContact CE1-OE1 3.26Å; F35-E39 WeakPolarHBondContact CE1-OE1 2.97Å; F35-E39 WeakPolarHBondContact O-CG 3.28Å; F35-E39 PolarHBondContact O-N 3.42Å; E37-E39 PolarHBondContact O-N 3.33Å; E39-E42 PolarHBondContact O-N 3.29Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 PolarHBondContact O-N 3.45Å
40	K	77.6	Confident	69.6	Low	130 Å²	130	90.5 Å²	90.5	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-62.9	-43.4	174.5	-75.9	171.8	-173.3	162.7	0	111.2	E36 E37 Y38 L43 T44	E36-K40 WeakPolarHBondContact O-CG 3.19Å; E36-K40 PolarHBondContact O-N 2.75Å; E36-K40 VanDerWaalsContact O-N 3.13Å; E37-K40 PolarHBondContact O-N 3.47Å; Y38-K40 PolarHBondContact O-N 3.37Å; K40-L43 PolarHBondContact O-N 2.85Å; K40-T44 WeakPolarHBondContact O-CG2 3.44Å; K40-T44 PolarHBondContact O-N 3.27Å; K40-T44 PolarHBondContact O-OG1 3.04Å
41	E	78.4	Confident	71.5	Confident	84 Å²	84	90.7 Å²	90.7	39%	0.393	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-44.1	177.5	-70.7	-173.1	179.2	0	0	111.9	E37 Y38 L43 T44 R45 H674	E37-E41 WeakPolarHBondContact O-CG 3.46Å; E37-E41 PolarHBondContact O-N 2.97Å; Y38-E41 PolarHBondContact O-N 3.38Å; E41-L43 PolarHBondContact O-N 3.16Å; E41-T44 WeakPolarHBondContact CA-OG1 3.25Å; E41-T44 PolarHBondContact O-N 2.93Å; E41-T44 PolarHBondContact O-OG1 2.81Å; E41-R45 WeakPolarHBondContact O-CB 3.36Å; E41-R45 PolarHBondContact O-N 3.41Å; E41-H674 IonicContact OE2-CE1 3.98Å; E41-H674 PolarHBondContact OE2-CE1 3.46Å; E41-H674 IonicContact OE2-CG 3.26Å; E41-H674 IonicContact OE2-ND1 3.09Å; E41-H674 PolarHBondContact OE2-ND1 2.99Å; E41-H674 IonicContact OE2-NE2 2.59Å
42	E	78.7	Confident	73	Confident	29 Å²	29	89.7 Å²	89.7	14%	0.136	45%	0.446	C	S	.	.	H	α-helix	trans	-63.3	-39.4	174.5	-83.8	-62	132.1	0	0	112.6	Y38 E39 R45 Q46 K675	Y38-E42 HydrophobicContact CD1-CG 4.36Å; Y38-E42 HydrophobicContact CE1-CG 3.77Å; Y38-E42 HydrophobicContact CE2-CG 4.3Å; Y38-E42 PolarHBondContact O-N 2.92Å; E39-E42 PolarHBondContact O-N 3.29Å; E42-R45 PolarHBondContact O-N 3.26Å; E42-R45 IonicContact OE1-NH1 3.87Å; E42-R45 PolarHBondContact OE1-NH1 2.8Å; E42-R45 IonicContact OE2-NH1 3.51Å; E42-R45 PolarHBondContact OE2-NH1 2.88Å; E42-R45 VanDerWaalsContact OE2-NH1 3.11Å; E42-Q46 WeakPolarHBondContact O-CG 3.35Å; E42-Q46 PolarHBondContact O-N 3.23Å; E42-K675 WeakPolarHBondContact OE1-CE 3.28Å; E42-K675 IonicContact OE1-NZ 2.73Å; E42-K675 PolarHBondContact OE1-NZ 2.91Å
43	L	80.6	Confident	74.3	Confident	104 Å²	104	90.2 Å²	90.2	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-45.7	175.7	-168	85.1	0	0	0	111.2	E39 K40 E41 R45 Q46 N47	E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 PolarHBondContact O-N 3.45Å; K40-L43 PolarHBondContact O-N 2.85Å; E41-L43 PolarHBondContact O-N 3.16Å; L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.12Å; L43-Q46 PolarHBondContact O-N 2.93Å; L43-N47 PolarHBondContact O-N 3.08Å; L43-N47 PolarHBondContact O-ND2 2.92Å
44	T	79.6	Confident	75.6	Confident	90 Å²	90	88.2 Å²	88.2	55%	0.552	43%	0.431	S	S	*	.	H	α-helix	trans	-61.3	-41.4	176.5	55.4	0	0	0	0	111.6	K40 E41 N47 D48	K40-T44 WeakPolarHBondContact O-CG2 3.44Å; K40-T44 PolarHBondContact O-N 3.27Å; K40-T44 PolarHBondContact O-OG1 3.04Å; E41-T44 WeakPolarHBondContact CA-OG1 3.25Å; E41-T44 PolarHBondContact O-N 2.93Å; E41-T44 PolarHBondContact O-OG1 2.81Å; T44-N47 PolarHBondContact O-N 3.06Å; T44-D48 WeakPolarHBondContact O-CB 3.23Å; T44-D48 PolarHBondContact O-N 3.25Å
45	R	78	Confident	76.4	Confident	57 Å²	57	88.2 Å²	88.2	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-61	-46.4	174.7	178.9	-177.9	171.6	-118.5	-3.4	112.5	E41 E42 L43 N47 D48 L49 E677	E41-R45 WeakPolarHBondContact O-CB 3.36Å; E41-R45 PolarHBondContact O-N 3.41Å; E42-R45 PolarHBondContact O-N 3.26Å; E42-R45 IonicContact OE1-NH1 3.87Å; E42-R45 PolarHBondContact OE1-NH1 2.8Å; E42-R45 IonicContact OE2-NH1 3.51Å; E42-R45 PolarHBondContact OE2-NH1 2.88Å; E42-R45 VanDerWaalsContact OE2-NH1 3.11Å; L43-R45 VanDerWaalsContact C-N 3.31Å; L43-R45 PolarHBondContact O-N 3.12Å; R45-N47 VanDerWaalsContact C-N 3.33Å; R45-N47 PolarHBondContact O-N 2.89Å; R45-D48 WeakPolarHBondContact O-CB 3.41Å; R45-D48 PolarHBondContact O-N 3Å; R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 3.33Å; R45-E677 IonicContact CZ-OE1 3.61Å; R45-E677 IonicContact CZ-OE2 2.76Å; R45-E677 IonicContact NE-OE1 3.38Å; R45-E677 PolarHBondContact NE-OE1 3.46Å; R45-E677 IonicContact NE-OE2 2.8Å; R45-E677 PolarHBondContact NE-OE2 3.18Å; R45-E677 IonicContact NH2-OE1 3.11Å; R45-E677 PolarHBondContact NH2-OE1 3.01Å; R45-E677 IonicContact NH2-OE2 2.97Å
46	Q	80.3	Confident	76.8	Confident	99 Å²	99	85.4 Å²	85.4	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-38.3	177.9	-73.4	-175.7	21.8	0	0	112.5	E42 L43 L49 K50	E42-Q46 WeakPolarHBondContact O-CG 3.35Å; E42-Q46 PolarHBondContact O-N 3.23Å; L43-Q46 PolarHBondContact O-N 2.93Å; Q46-L49 PolarHBondContact O-N 2.84Å; Q46-K50 WeakPolarHBondContact O-CG 3.35Å; Q46-K50 PolarHBondContact O-N 3.43Å; Q46-K50 VanDerWaalsContact O-N 3.1Å
47	N	80.5	Confident	76.8	Confident	81 Å²	81	87 Å²	87	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175	-71.1	-22.5	0	0	0	111.3	L43 T44 R45 L49 K50 E51	L43-N47 PolarHBondContact O-N 3.08Å; L43-N47 PolarHBondContact O-ND2 2.92Å; T44-N47 PolarHBondContact O-N 3.06Å; R45-N47 VanDerWaalsContact C-N 3.33Å; R45-N47 PolarHBondContact O-N 2.89Å; N47-L49 VanDerWaalsContact C-N 3.35Å; N47-L49 PolarHBondContact O-N 3.07Å; N47-K50 PolarHBondContact O-N 3.35Å; N47-E51 WeakPolarHBondContact O-CB 3.35Å; N47-E51 PolarHBondContact O-N 2.92Å
48	D	80.3	Confident	76.9	Confident	30 Å²	30	85.9 Å²	85.9	16%	0.16	41%	0.409	C	S	.	.	H	α-helix	trans	-61.1	-41.4	176.6	-169	66.8	0	0	0	112.2	T44 R45 E51 R52 T679 K680 R683	T44-D48 WeakPolarHBondContact O-CB 3.23Å; T44-D48 PolarHBondContact O-N 3.25Å; R45-D48 WeakPolarHBondContact O-CB 3.41Å; R45-D48 PolarHBondContact O-N 3Å; D48-E51 PolarHBondContact O-N 3.02Å; D48-R52 WeakPolarHBondContact O-CB 3.29Å; D48-R52 PolarHBondContact O-N 3.46Å; D48-T679 WeakPolarHBondContact OD2-CA 3.43Å; D48-K680 WeakPolarHBondContact OD1-CA 3.23Å; D48-K680 WeakPolarHBondContact OD1-CB 3.32Å; D48-K680 PolarHBondContact OD1-N 3.09Å; D48-K680 PolarHBondContact OD2-N 3.04Å; D48-R683 PolarHBondContact O-NH2 2.77Å; D48-R683 IonicContact OD1-NH2 2.69Å; D48-R683 PolarHBondContact OD1-NH2 3.2Å; D48-R683 VanDerWaalsContact OD1-NH2 3.11Å; D48-R683 IonicContact OD2-CZ 2.72Å; D48-R683 IonicContact OD2-NH2 3.46Å; D48-R683 PolarHBondContact OD2-NH2 3.11Å
49	L	78.8	Confident	76.5	Confident	61 Å²	61	82.3 Å²	82.3	32%	0.319	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-43.1	174.7	-72.1	171.7	0	0	0	112.6	R45 Q46 N47 E51 R52 D53	R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 3.33Å; Q46-L49 PolarHBondContact O-N 2.84Å; N47-L49 VanDerWaalsContact C-N 3.35Å; N47-L49 PolarHBondContact O-N 3.07Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.41Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.47Å; L49-R52 PolarHBondContact O-N 2.71Å; L49-D53 PolarHBondContact O-N 3.25Å; L49-D53 VanDerWaalsContact O-N 3.12Å
50	K	78.6	Confident	75.9	Confident	137 Å²	137	80.2 Å²	80.2	60%	0.596	39%	0.392	S	S	*	.	H	α-helix	trans	-62.7	-42.3	175.4	-73	173.1	-175.7	169.3	0	111.5	Q46 N47 R52 D53 A54	Q46-K50 WeakPolarHBondContact O-CG 3.35Å; Q46-K50 PolarHBondContact O-N 3.43Å; Q46-K50 VanDerWaalsContact O-N 3.1Å; N47-K50 PolarHBondContact O-N 3.35Å; K50-R52 VanDerWaalsContact C-N 3.31Å; K50-D53 PolarHBondContact O-N 2.99Å; K50-A54 WeakPolarHBondContact O-CB 3.49Å; K50-A54 PolarHBondContact O-N 3.13Å
51	E	78.8	Confident	75.6	Confident	70 Å²	70	77.4 Å²	77.4	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-67.2	-34.2	177.4	-169.3	174.7	-176.1	0	0	111.6	N47 D48 L49 A54 F55 K680	N47-E51 WeakPolarHBondContact O-CB 3.35Å; N47-E51 PolarHBondContact O-N 2.92Å; D48-E51 PolarHBondContact O-N 3.02Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.41Å; E51-A54 PolarHBondContact O-N 3.47Å; E51-F55 VanDerWaalsContact O-CB 3.25Å; E51-F55 WeakPolarHBondContact O-CB 3.35Å; E51-F55 PolarHBondContact O-N 3.42Å; E51-K680 WeakPolarHBondContact OE1-CD 3.35Å; E51-K680 WeakPolarHBondContact OE1-CE 3.2Å; E51-K680 IonicContact OE1-NZ 2.66Å; E51-K680 PolarHBondContact OE1-NZ 2.94Å; E51-K680 WeakPolarHBondContact OE2-CD 3.28Å; E51-K680 IonicContact OE2-NZ 3.08Å
52	R	73.9	Confident	75	Confident	106 Å²	106	77.9 Å²	77.9	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-55.9	-56.1	171	-170.4	-170.4	69.3	167.1	1.5	111.9	D48 L49 K50 A54 F55 V56 R683	D48-R52 WeakPolarHBondContact O-CB 3.29Å; D48-R52 PolarHBondContact O-N 3.46Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.47Å; L49-R52 PolarHBondContact O-N 2.71Å; K50-R52 VanDerWaalsContact C-N 3.31Å; R52-A54 PolarHBondContact O-N 2.92Å; R52-F55 PolarHBondContact O-N 3.2Å; R52-F55 VanDerWaalsContact O-N 3.1Å; R52-V56 HydrophobicContact CG-CG2 4.5Å; R52-V56 WeakPolarHBondContact O-CG2 3.46Å; R52-V56 PolarHBondContact O-N 3.45Å; R52-R683 VanDerWaalsContact CB-CZ 3.42Å
53	D	75.7	Confident	74	Confident	91 Å²	91	79.5 Å²	79.5	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-33.8	-174.9	-62.5	-10.7	0	0	0	110.3	L49 K50 K57	L49-D53 PolarHBondContact O-N 3.25Å; L49-D53 VanDerWaalsContact O-N 3.12Å; K50-D53 PolarHBondContact O-N 2.99Å; D53-K57 WeakPolarHBondContact O-CB 3.45Å; D53-K57 PolarHBondContact O-N 2.91Å; D53-K57 VanDerWaalsContact O-N 3.14Å
54	A	76.4	Confident	73	Confident	48 Å²	48	79.6 Å²	79.6	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-40.1	172	0	0	0	0	0	113.2	K50 E51 R52 K57 R58	K50-A54 WeakPolarHBondContact O-CB 3.49Å; K50-A54 PolarHBondContact O-N 3.13Å; E51-A54 PolarHBondContact O-N 3.47Å; R52-A54 PolarHBondContact O-N 2.92Å; A54-K57 PolarHBondContact O-N 3.01Å; A54-R58 WeakPolarHBondContact O-CG 3.21Å; A54-R58 PolarHBondContact O-N 3.38Å
55	F	71	Confident	71.7	Confident	39 Å²	39	81.8 Å²	81.8	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-67.2	-47.6	177.5	179.6	-98.8	0	0	0	111.6	E51 R52 K57 R58 L59	E51-F55 VanDerWaalsContact O-CB 3.25Å; E51-F55 WeakPolarHBondContact O-CB 3.35Å; E51-F55 PolarHBondContact O-N 3.42Å; R52-F55 PolarHBondContact O-N 3.2Å; R52-F55 VanDerWaalsContact O-N 3.1Å; F55-K57 PolarHBondContact O-N 3.34Å; F55-R58 PolarHBondContact O-N 3.01Å; F55-R58 VanDerWaalsContact O-N 3.11Å; F55-L59 HydrophobicContact CE1-CD1 4.39Å; F55-L59 HydrophobicContact CZ-CD1 4.21Å; F55-L59 PolarHBondContact O-N 2.89Å
56	V	71.5	Confident	70.5	Confident	75 Å²	75	83.8 Å²	83.8	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-56.3	-43.2	175.4	172.6	0	0	0	0	110.3	R52 L59 V60	R52-V56 HydrophobicContact CG-CG2 4.5Å; R52-V56 WeakPolarHBondContact O-CG2 3.46Å; R52-V56 PolarHBondContact O-N 3.45Å; V56-L59 PolarHBondContact O-N 2.73Å; V56-V60 HydrophobicContact CG1-CG2 4.41Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.34Å; V56-V60 PolarHBondContact O-N 3Å
57	K	70.8	Confident	68.7	Low	141 Å²	141	83.5 Å²	83.5	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-62.4	-45.4	176.4	-168.9	177.2	179.9	-177.4	0	112.6	D53 A54 F55 L59 V60 D61	D53-K57 WeakPolarHBondContact O-CB 3.45Å; D53-K57 PolarHBondContact O-N 2.91Å; D53-K57 VanDerWaalsContact O-N 3.14Å; A54-K57 PolarHBondContact O-N 3.01Å; F55-K57 PolarHBondContact O-N 3.34Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.4Å; K57-V60 PolarHBondContact O-N 3.01Å; K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 PolarHBondContact O-N 3.28Å
58	R	73	Confident	67	Low	107 Å²	107	88.1 Å²	88.1	40%	0.404	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-40.1	175	-75.8	-172	-72.7	164.9	-4.3	112.2	A54 F55 R62 E796	A54-R58 WeakPolarHBondContact O-CG 3.21Å; A54-R58 PolarHBondContact O-N 3.38Å; F55-R58 PolarHBondContact O-N 3.01Å; F55-R58 VanDerWaalsContact O-N 3.11Å; R58-R62 WeakPolarHBondContact O-CB 3.41Å; R58-R62 PolarHBondContact O-N 3.41Å; R58-E796 IonicContact CZ-OE1 3.15Å; R58-E796 IonicContact CZ-OE2 3.45Å; R58-E796 VanDerWaalsContact NH1-CD 3.31Å; R58-E796 IonicContact NH1-OE1 2.86Å; R58-E796 PolarHBondContact NH1-OE1 2.88Å; R58-E796 IonicContact NH1-OE2 3.82Å; R58-E796 PolarHBondContact NH1-OE2 3.25Å; R58-E796 IonicContact NH2-OE2 3.86Å
59	L	66.9	Low	64.7	Low	39 Å²	39	88.3 Å²	88.3	20%	0.204	44%	0.439	C	S	.	.	H	α-helix	trans	-64.6	-50.9	178.9	-162.2	86.1	0	0	0	110.9	F55 V56 K57 D61 R62 D63	F55-L59 HydrophobicContact CE1-CD1 4.39Å; F55-L59 HydrophobicContact CZ-CD1 4.21Å; F55-L59 PolarHBondContact O-N 2.89Å; V56-L59 PolarHBondContact O-N 2.73Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.4Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 3.01Å; L59-R62 PolarHBondContact O-N 3.26Å; L59-R62 VanDerWaalsContact O-N 3.17Å; L59-D63 PolarHBondContact O-N 3.45Å
60	V	65.5	Low	62.7	Low	67 Å²	67	91.3 Å²	91.3	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-59.1	-44.3	177.1	172.5	0	0	0	0	111.1	V56 K57 R62 D63 Q64	V56-V60 HydrophobicContact CG1-CG2 4.41Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.34Å; V56-V60 PolarHBondContact O-N 3Å; K57-V60 PolarHBondContact O-N 3.01Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 2.82Å; V60-D63 PolarHBondContact O-N 2.97Å; V60-Q64 WeakPolarHBondContact O-CB 3.33Å; V60-Q64 VanDerWaalsContact O-CG 3.26Å; V60-Q64 WeakPolarHBondContact O-CG 3.44Å; V60-Q64 PolarHBondContact O-N 3.41Å
61	D	69.8	Low	60.7	Low	71 Å²	71	90.5 Å²	90.5	38%	0.38	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-39.1	178.2	-72.5	-20	0	0	0	111.6	K57 L59 Q65	K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 PolarHBondContact O-N 3.28Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 3.01Å; D61-Q65 WeakPolarHBondContact O-CB 3.27Å; D61-Q65 WeakPolarHBondContact O-CG 3.48Å; D61-Q65 PolarHBondContact O-N 2.9Å
62	R	66.1	Low	58.7	Low	94 Å²	94	91.8 Å²	91.8	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-69.8	-42.3	178.2	-178.4	177	161.9	172	-4.5	112.1	R58 L59 V60 Q64 Q65 Q66 D793	R58-R62 WeakPolarHBondContact O-CB 3.41Å; R58-R62 PolarHBondContact O-N 3.41Å; L59-R62 PolarHBondContact O-N 3.26Å; L59-R62 VanDerWaalsContact O-N 3.17Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 2.82Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q65 PolarHBondContact O-N 2.83Å; R62-Q65 VanDerWaalsContact O-N 3.15Å; R62-Q66 PolarHBondContact O-N 2.86Å; R62-D793 PolarHBondContact NH1-O 3.11Å
63	D	58.7	Low	56.7	Low	63 Å²	63	98.1 Å²	98.1	34%	0.337	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-38.2	176.8	-74.5	-13.6	0	0	0	111.1	L59 V60 Q65 Q66 S67	L59-D63 PolarHBondContact O-N 3.45Å; V60-D63 PolarHBondContact O-N 2.97Å; D63-Q65 VanDerWaalsContact C-N 3.32Å; D63-Q65 PolarHBondContact O-N 2.91Å; D63-Q66 PolarHBondContact O-N 3.41Å; D63-S67 PolarHBondContact O-N 3.34Å; D63-S67 PolarHBondContact O-OG 2.84Å
64	Q	59.6	Low	55	Low	106 Å²	106	99.2 Å²	99.2	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-65.9	-31.7	171.5	-73.1	-178.1	17.1	0	0	113.3	V60 R62 S67 K68	V60-Q64 WeakPolarHBondContact O-CB 3.33Å; V60-Q64 VanDerWaalsContact O-CG 3.26Å; V60-Q64 WeakPolarHBondContact O-CG 3.44Å; V60-Q64 PolarHBondContact O-N 3.41Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-S67 WeakPolarHBondContact CA-OG 3.34Å; Q64-S67 PolarHBondContact O-OG 3.49Å; Q64-K68 WeakPolarHBondContact O-CG 3.14Å
65	Q	52.8	Low	53.4	Low	135 Å²	135	102.8 Å²	102.8	63%	0.631	54%	0.543	S	S	*	.	H	α-helix	trans	-76	-39.7	174.9	-75.5	173.6	20.3	0	0	112.2	D61 R62 D63 K68 G69	D61-Q65 WeakPolarHBondContact O-CB 3.27Å; D61-Q65 WeakPolarHBondContact O-CG 3.48Å; D61-Q65 PolarHBondContact O-N 2.9Å; R62-Q65 PolarHBondContact O-N 2.83Å; R62-Q65 VanDerWaalsContact O-N 3.15Å; D63-Q65 VanDerWaalsContact C-N 3.32Å; D63-Q65 PolarHBondContact O-N 2.91Å; Q65-K68 PolarHBondContact O-N 3.43Å; Q65-G69 PolarHBondContact O-N 3.15Å
66	Q	51.2	Low	52.4	Low	100 Å²	100	105.9 Å²	105.9	47%	0.467	57%	0.57	S	S	.	*	H	α-helix	trans	-66.5	-41.3	177.4	-76.4	-164.9	-2.6	0	0	111.9	R62 D63 K68 G69	R62-Q66 PolarHBondContact O-N 2.86Å; D63-Q66 PolarHBondContact O-N 3.41Å; Q66-K68 PolarHBondContact O-N 2.79Å; Q66-G69 PolarHBondContact O-N 3.32Å
67	S	44	Very low	51.3	Low	92 Å²	92	109 Å²	109	64%	0.643	58%	0.578	S	S	*	*	H	α-helix	trans	-59.5	-27.9	173	51.4	0	0	0	0	113.2	D63 Q64	D63-S67 PolarHBondContact O-N 3.34Å; D63-S67 PolarHBondContact O-OG 2.84Å; Q64-S67 WeakPolarHBondContact CA-OG 3.34Å; Q64-S67 PolarHBondContact O-OG 3.49Å
68	K	42.9	Very low	50.3	Low	178 Å²	178	108.1 Å²	108.1	77%	0.774	58%	0.575	S	S	*	*	H	α-helix	trans	-84.9	-23.4	171.8	-69.9	178.6	-179.1	174.5	0	114.1	Q64 Q65 Q66	Q64-K68 WeakPolarHBondContact O-CG 3.14Å; Q65-K68 PolarHBondContact O-N 3.43Å; Q66-K68 PolarHBondContact O-N 2.79Å
69	G	32.4	Very low	49.3	Very low	35 Å²	35	109.5 Å²	109.5	36%	0.361	59%	0.586	S	S	.	*	H	α-helix	trans	-91.8	-7.2	-165.4	0	0	0	0	0	116.7	Q65 Q66 S71 S72	Q65-G69 PolarHBondContact O-N 3.15Å; Q66-G69 PolarHBondContact O-N 3.32Å; G69-S71 PolarHBondContact O-N 3.43Å; G69-S72 PolarHBondContact O-N 3.37Å
70	V	37.3	Very low	48.7	Very low	124 Å²	124	113.9 Å²	113.9	75%	0.752	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-14.6	-176.9	-180	0	0	0	0	113.2	S72	V70-S72 PolarHBondContact O-N 2.99Å
71	S	37.4	Very low	48.1	Very low	119 Å²	119	111.3 Å²	111.3	83%	0.832	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-1.3	179.3	-167.9	0	0	0	0	116.3	G69	G69-S71 PolarHBondContact O-N 3.43Å
72	S	35.8	Very low	47.4	Very low	98 Å²	98	112 Å²	112	69%	0.685	60%	0.595	S	S	*	*			trans	-148.8	87.9	-175.6	64.9	0	0	0	0	115.4	G69 V70	G69-S72 PolarHBondContact O-N 3.37Å; V70-S72 PolarHBondContact O-N 2.99Å
73	R	32.8	Very low	47.1	Very low	239 Å²	239	116.4 Å²	116.4	90%	0.902	61%	0.611	S	S	*	*			trans	-137.1	103	166.2	-91.6	-179.5	165.3	174.5	-5.7	111.1
74	S	38.8	Very low	47	Very low	113 Å²	113	118.7 Å²	118.7	79%	0.79	62%	0.619	S	S	*	*			trans	-152.7	110	154.7	77	0	0	0	0	109.4
75	T	42.6	Very low	46.7	Very low	123 Å²	123	117 Å²	117	76%	0.755	61%	0.612	S	S	*	*			trans	-107.2	-4.3	-155.9	32.1	0	0	0	0	117
76	S	49.9	Very low	47.2	Very low	105 Å²	105	116.5 Å²	116.5	73%	0.734	62%	0.619	S	S	*	*	S	Bend	trans	-86.1	-36.4	-175.2	151.1	0	0	0	0	115.1	H78	S76-H78 PolarHBondContact O-N 3.43Å
77	K	50.1	Low	47.8	Very low	141 Å²	141	114.8 Å²	114.8	61%	0.613	62%	0.617	S	S	*	*	S	Bend	trans	-83.9	-8.8	-176.8	-75.1	-172	171	-168.9	0	114.5	A81 E102	K77-A81 PolarHBondContact O-N 3.36Å; K77-E102 IonicContact NZ-OE1 3.66Å
78	H	49.1	Very low	48.7	Very low	122 Å²	122	113.5 Å²	113.5	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-72.3	-32.9	-175.2	-159.3	59.4	0	0	0	112.5	S76 A81 L82	S76-H78 PolarHBondContact O-N 3.43Å; H78-A81 PolarHBondContact O-N 3.35Å; H78-L82 WeakPolarHBondContact O-CG 3.01Å; H78-L82 PolarHBondContact O-N 3.21Å
79	E	51.8	Low	49.5	Very low	135 Å²	135	112 Å²	112	63%	0.631	61%	0.614	S	S	*	*	H	α-helix	trans	-67.4	-37.3	178.5	-68.8	-172.2	156.8	0	0	112.5	L82 R83	E79-L82 PolarHBondContact O-N 3.19Å; E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 3.13Å; E79-R83 VanDerWaalsContact O-N 3.16Å
80	E	53.9	Low	50.6	Low	131 Å²	131	112.7 Å²	112.7	61%	0.612	61%	0.612	S	S	*	*	H	α-helix	trans	-69.2	-36.9	177.9	-156.6	175.2	-162.3	0	0	111.4	R83 K84	E80-R83 PolarHBondContact O-N 2.88Å; E80-K84 PolarHBondContact O-N 2.97Å
81	A	52.5	Low	52.2	Low	14 Å²	14	109.7 Å²	109.7	12%	0.116	60%	0.596	C	S	.	*	H	α-helix	trans	-65.5	-43	173	0	0	0	0	0	111.9	K77 H78 R83 K84 I85 M95	K77-A81 PolarHBondContact O-N 3.36Å; H78-A81 PolarHBondContact O-N 3.35Å; A81-R83 VanDerWaalsContact C-N 3.3Å; A81-R83 PolarHBondContact O-N 3.32Å; A81-K84 PolarHBondContact O-N 3.46Å; A81-I85 PolarHBondContact O-N 2.96Å; A81-M95 HydrophobicContact CB-CE 3.91Å; A81-M95 HydrophobicContact CB-SD 3.99Å; A81-M95 WeakPolarHBondContact O-CE 3.39Å
82	L	56.8	Low	53.8	Low	84 Å²	84	112.7 Å²	112.7	44%	0.44	59%	0.589	S	S	.	*	H	α-helix	trans	-60.4	-39.5	177.8	-81.5	161.7	0	0	0	112.2	H78 E79 K84 I85 T86	H78-L82 WeakPolarHBondContact O-CG 3.01Å; H78-L82 PolarHBondContact O-N 3.21Å; E79-L82 PolarHBondContact O-N 3.19Å; L82-K84 PolarHBondContact O-N 3.19Å; L82-I85 PolarHBondContact O-N 2.8Å; L82-T86 PolarHBondContact O-N 3.48Å; L82-T86 PolarHBondContact O-OG1 3.02Å
83	R	58.4	Low	55.7	Low	187 Å²	187	115.7 Å²	115.7	71%	0.706	59%	0.592	S	S	*	*	H	α-helix	trans	-61	-40.5	177.1	-72.3	180	-176	-177.5	3.2	112.9	E79 E80 A81 I85 T86 S87	E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 3.13Å; E79-R83 VanDerWaalsContact O-N 3.16Å; E80-R83 PolarHBondContact O-N 2.88Å; A81-R83 VanDerWaalsContact C-N 3.3Å; A81-R83 PolarHBondContact O-N 3.32Å; R83-I85 VanDerWaalsContact C-N 3.32Å; R83-I85 PolarHBondContact O-N 3.43Å; R83-T86 PolarHBondContact O-N 3.49Å; R83-S87 PolarHBondContact O-N 3.4Å
84	K	57.5	Low	57.7	Low	112 Å²	112	110.2 Å²	110.2	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-70.2	-26.3	177.6	-69.1	-173.6	178.3	-175.9	0	113.6	E80 A81 L82 S87 M95	E80-K84 PolarHBondContact O-N 2.97Å; A81-K84 PolarHBondContact O-N 3.46Å; L82-K84 PolarHBondContact O-N 3.19Å; K84-S87 WeakPolarHBondContact CA-OG 2.98Å; K84-S87 PolarHBondContact O-OG 3.45Å; K84-S87 VanDerWaalsContact O-OG 3.11Å; K84-M95 HydrophobicContact CB-CE 4.36Å
85	I	54	Low	59.1	Low	71 Å²	71	105.8 Å²	105.8	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-72.4	-40.2	171.8	-63.8	171.2	0	0	0	109.7	A81 L82 R83 G88 M95	A81-I85 PolarHBondContact O-N 2.96Å; L82-I85 PolarHBondContact O-N 2.8Å; R83-I85 VanDerWaalsContact C-N 3.32Å; R83-I85 PolarHBondContact O-N 3.43Å; I85-G88 PolarHBondContact O-N 2.9Å; I85-M95 HydrophobicContact CD1-CE 3.7Å; I85-M95 HydrophobicContact CG1-CE 3.36Å
86	T	62	Low	60.6	Low	124 Å²	124	103 Å²	103	76%	0.761	52%	0.524	S	S	*	.	H	α-helix	trans	-69.6	-32	179.3	-43.8	0	0	0	0	112.5	L82 R83 G88	L82-T86 PolarHBondContact O-N 3.48Å; L82-T86 PolarHBondContact O-OG1 3.02Å; R83-T86 PolarHBondContact O-N 3.49Å; T86-G88 PolarHBondContact O-N 3.15Å
87	S	64.8	Low	61.9	Low	63 Å²	63	100.2 Å²	100.2	44%	0.441	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.3	176.1	61.8	0	0	0	0	114.1	R83 K84 E89	R83-S87 PolarHBondContact O-N 3.4Å; K84-S87 WeakPolarHBondContact CA-OG 2.98Å; K84-S87 PolarHBondContact O-OG 3.45Å; K84-S87 VanDerWaalsContact O-OG 3.11Å; S87-E89 PolarHBondContact O-N 3.36Å; S87-E89 PolarHBondContact OG-OE2 3.22Å
88	G	61.3	Low	63.3	Low	65 Å²	65	99.9 Å²	99.9	67%	0.67	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	9.7	178.5	0	0	0	0	0	114.4	I85 T86 V90	I85-G88 PolarHBondContact O-N 2.9Å; T86-G88 PolarHBondContact O-N 3.15Å; G88-V90 VanDerWaalsContact C-N 3.34Å; G88-V90 PolarHBondContact O-N 2.99Å
89	E	59.7	Low	64.6	Low	147 Å²	147	97.7 Å²	97.7	69%	0.687	50%	0.5	S	S	*	.	S	Bend	trans	-74.4	-22.9	-176.2	-72.1	173.7	147	0	0	113.1	S87	S87-E89 PolarHBondContact O-N 3.36Å; S87-E89 PolarHBondContact OG-OE2 3.22Å
90	V	55.8	Low	65.9	Low	50 Å²	50	100.1 Å²	100.1	30%	0.303	50%	0.503	S	S	.	.	S	Bend	trans	-141.9	133.2	-176.4	-166.1	0	0	0	0	111	G88 E94 M95	G88-V90 VanDerWaalsContact C-N 3.34Å; G88-V90 PolarHBondContact O-N 2.99Å; V90-E94 HydrophobicContact CG1-CB 3.99Å; V90-M95 HydrophobicContact CG1-CB 4.11Å
91	S	72.1	Confident	67.1	Low	61 Å²	61	100.6 Å²	100.6	43%	0.427	50%	0.503	S	S	.	.			trans	-60.5	137.9	171.5	167.6	0	0	0	0	110.5	E93 E94 M95	S91-E93 PolarHBondContact O-N 3.35Å; S91-E93 VanDerWaalsContact O-N 3.08Å; S91-E93 PolarHBondContact OG-N 3.12Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 VanDerWaalsContact O-N 3.1Å; S91-M95 PolarHBondContact O-N 3.24Å; S91-M95 VanDerWaalsContact O-N 3.1Å
92	R	70.5	Confident	68.3	Low	181 Å²	181	104.5 Å²	104.5	68%	0.683	52%	0.519	S	S	*	.	H	α-helix	trans	-52.2	-34	177	-174.2	178.3	179.6	179	0.8	112.2	I96	R92-I96 HydrophobicContact CG-CD1 3.97Å; R92-I96 WeakPolarHBondContact O-CB 3.45Å; R92-I96 WeakPolarHBondContact O-CD1 3.31Å; R92-I96 WeakPolarHBondContact O-CG1 3.32Å; R92-I96 PolarHBondContact O-N 3.3Å; R92-I96 VanDerWaalsContact O-N 3.12Å
93	E	74.7	Confident	69.3	Low	161 Å²	161	104 Å²	104	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-71.4	-43.4	179.9	-67.4	-174.5	164.6	0	0	112.7	S91 I96 A97	S91-E93 PolarHBondContact O-N 3.35Å; S91-E93 VanDerWaalsContact O-N 3.08Å; S91-E93 PolarHBondContact OG-N 3.12Å; E93-I96 PolarHBondContact O-N 3.22Å; E93-A97 PolarHBondContact O-N 3.11Å
94	E	74.8	Confident	70.3	Confident	125 Å²	125	103.8 Å²	103.8	58%	0.584	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-42.5	178.3	-68.5	176.6	150.9	0	0	110.9	V90 S91 A97 E98	V90-E94 HydrophobicContact CG1-CB 3.99Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 VanDerWaalsContact O-N 3.1Å; E94-A97 WeakPolarHBondContact O-CB 3.33Å; E94-A97 PolarHBondContact O-N 3.07Å; E94-E98 PolarHBondContact O-N 3.44Å
95	M	69.4	Low	71.4	Confident	19 Å²	19	107.7 Å²	107.7	9%	0.094	53%	0.534	C	S	.	.	H	α-helix	trans	-68.4	-38.8	179.1	-165.1	-126.4	-88.9	0	0	112.3	A81 K84 I85 V90 S91 A97 E98 L99	A81-M95 HydrophobicContact CB-CE 3.91Å; A81-M95 HydrophobicContact CB-SD 3.99Å; A81-M95 WeakPolarHBondContact O-CE 3.39Å; K84-M95 HydrophobicContact CB-CE 4.36Å; I85-M95 HydrophobicContact CD1-CE 3.7Å; I85-M95 HydrophobicContact CG1-CE 3.36Å; V90-M95 HydrophobicContact CG1-CB 4.11Å; S91-M95 PolarHBondContact O-N 3.24Å; S91-M95 VanDerWaalsContact O-N 3.1Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 2.88Å; M95-E98 PolarHBondContact O-N 3.29Å; M95-L99 HydrophobicContact CG-CD1 4.33Å; M95-L99 HydrophobicContact CG-CG 4.42Å; M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 WeakPolarHBondContact O-CG 3.5Å; M95-L99 PolarHBondContact O-N 3.32Å; M95-L99 HydrophobicContact SD-CD1 3.5Å; M95-L99 WeakPolarHBondContact SD-CD1 3.27Å; M95-L99 HydrophobicContact SD-CG 4.16Å
96	I	72.9	Confident	72.7	Confident	66 Å²	66	108.1 Å²	108.1	34%	0.338	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-38.6	172.8	-71.9	168.1	0	0	0	110.4	R92 E93 R100	R92-I96 HydrophobicContact CG-CD1 3.97Å; R92-I96 WeakPolarHBondContact O-CB 3.45Å; R92-I96 WeakPolarHBondContact O-CD1 3.31Å; R92-I96 WeakPolarHBondContact O-CG1 3.32Å; R92-I96 PolarHBondContact O-N 3.3Å; R92-I96 VanDerWaalsContact O-N 3.12Å; E93-I96 PolarHBondContact O-N 3.22Å; I96-R100 HydrophobicContact CG2-CG 4.48Å; I96-R100 WeakPolarHBondContact O-CB 3.42Å; I96-R100 VanDerWaalsContact O-CG 3.26Å; I96-R100 WeakPolarHBondContact O-CG 3.35Å; I96-R100 PolarHBondContact O-N 3.33Å
97	A	78.2	Confident	73.7	Confident	46 Å²	46	108.4 Å²	108.4	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-65.7	-40.2	177	0	0	0	0	0	112.2	E93 E94 M95 K101	E93-A97 PolarHBondContact O-N 3.11Å; E94-A97 WeakPolarHBondContact O-CB 3.33Å; E94-A97 PolarHBondContact O-N 3.07Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 2.88Å; A97-K101 WeakPolarHBondContact O-CG 3.45Å; A97-K101 PolarHBondContact O-N 3.15Å
98	E	78.8	Confident	74.6	Confident	133 Å²	133	109.7 Å²	109.7	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-66.7	-48.2	173.5	-77.3	-159.1	141	0	0	112.8	E94 M95 R100 K101 E102	E94-E98 PolarHBondContact O-N 3.44Å; M95-E98 PolarHBondContact O-N 3.29Å; E98-R100 PolarHBondContact O-N 3.37Å; E98-K101 WeakPolarHBondContact O-CA 3.48Å; E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.36Å; E98-E102 PolarHBondContact O-N 2.89Å
99	L	77.9	Confident	75.4	Confident	77 Å²	77	116.2 Å²	116.2	40%	0.403	53%	0.534	S	S	.	.	H	α-helix	trans	-58.6	-36.5	177.2	-74.9	175.3	0	0	0	111.7	M95 E102 S103	M95-L99 HydrophobicContact CG-CD1 4.33Å; M95-L99 HydrophobicContact CG-CG 4.42Å; M95-L99 WeakPolarHBondContact O-CB 3.42Å; M95-L99 WeakPolarHBondContact O-CG 3.5Å; M95-L99 PolarHBondContact O-N 3.32Å; M95-L99 HydrophobicContact SD-CD1 3.5Å; M95-L99 WeakPolarHBondContact SD-CD1 3.27Å; M95-L99 HydrophobicContact SD-CG 4.16Å; L99-E102 PolarHBondContact O-N 2.91Å; L99-S103 WeakPolarHBondContact O-CB 3.38Å; L99-S103 PolarHBondContact O-N 3.46Å
100	R	78.2	Confident	76.5	Confident	185 Å²	185	115.9 Å²	115.9	70%	0.698	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-41.1	172.8	-79.7	177.2	179.1	174.9	1.5	112.2	I96 E98 R104	I96-R100 HydrophobicContact CG2-CG 4.48Å; I96-R100 WeakPolarHBondContact O-CB 3.42Å; I96-R100 VanDerWaalsContact O-CG 3.26Å; I96-R100 WeakPolarHBondContact O-CG 3.35Å; I96-R100 PolarHBondContact O-N 3.33Å; E98-R100 PolarHBondContact O-N 3.37Å; R100-R104 VanDerWaalsContact O-CB 3.26Å; R100-R104 WeakPolarHBondContact O-CB 3.49Å; R100-R104 PolarHBondContact O-N 3.09Å
101	K	79.6	Confident	77.9	Confident	142 Å²	142	119.6 Å²	119.6	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-66.3	-42.8	176.5	-72.6	175.2	-175.3	173.6	0	111.2	A97 E98 R104 R105	A97-K101 WeakPolarHBondContact O-CG 3.45Å; A97-K101 PolarHBondContact O-N 3.15Å; E98-K101 WeakPolarHBondContact O-CA 3.48Å; E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.36Å; K101-R104 PolarHBondContact O-N 3.01Å; K101-R105 WeakPolarHBondContact O-CG 3.44Å; K101-R105 PolarHBondContact O-N 3.44Å
102	E	77.5	Confident	78.4	Confident	95 Å²	95	121.9 Å²	121.9	44%	0.444	54%	0.542	S	S	.	.	H	α-helix	trans	-68.5	-46.3	179.5	-159.8	-171.3	161.9	0	0	111.5	K77 E98 L99 R104 R105 T106	K77-E102 IonicContact NZ-OE1 3.66Å; E98-E102 PolarHBondContact O-N 2.89Å; L99-E102 PolarHBondContact O-N 2.91Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 3.42Å; E102-R105 WeakPolarHBondContact O-CB 3.31Å; E102-R105 PolarHBondContact O-N 3.2Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 2.77Å
103	S	77.3	Confident	79	Confident	74 Å²	74	116.6 Å²	116.6	52%	0.517	53%	0.533	S	S	.	.	H	α-helix	trans	-56.6	-41.2	172.9	176.5	0	0	0	0	111.8	L99 R105 T106 Y107	L99-S103 WeakPolarHBondContact O-CB 3.38Å; L99-S103 PolarHBondContact O-N 3.46Å; S103-R105 PolarHBondContact O-N 3.04Å; S103-T106 WeakPolarHBondContact CA-OG1 3.47Å; S103-T106 PolarHBondContact O-N 3.28Å; S103-T106 PolarHBondContact O-OG1 3.08Å; S103-Y107 VanDerWaalsContact O-CB 3.23Å; S103-Y107 WeakPolarHBondContact O-CB 3.28Å; S103-Y107 PolarHBondContact O-N 3.18Å
104	R	79.4	Confident	79.5	Confident	182 Å²	182	112.3 Å²	112.3	69%	0.687	52%	0.516	S	S	*	.	H	α-helix	trans	-64.3	-40.5	174.4	-173.3	174.8	179.1	177.7	0	112	R100 K101 E102 L108	R100-R104 VanDerWaalsContact O-CB 3.26Å; R100-R104 WeakPolarHBondContact O-CB 3.49Å; R100-R104 PolarHBondContact O-N 3.09Å; K101-R104 PolarHBondContact O-N 3.01Å; E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 PolarHBondContact O-N 3.42Å; R104-L108 HydrophobicContact CG-CD1 4.07Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CB 3.22Å; R104-L108 WeakPolarHBondContact O-CG 3.38Å; R104-L108 PolarHBondContact O-N 2.85Å
105	R	80.9	Confident	80.1	Confident	194 Å²	194	112.6 Å²	112.6	73%	0.732	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-44.4	177.3	-75.3	174.9	175.8	179.5	-1.4	112	K101 E102 S103 L108 R109	K101-R105 WeakPolarHBondContact O-CG 3.44Å; K101-R105 PolarHBondContact O-N 3.44Å; E102-R105 WeakPolarHBondContact O-CB 3.31Å; E102-R105 PolarHBondContact O-N 3.2Å; S103-R105 PolarHBondContact O-N 3.04Å; R105-L108 PolarHBondContact O-N 2.72Å; R105-R109 PolarHBondContact O-N 2.97Å
106	T	80.1	Confident	81	Confident	81 Å²	81	113.1 Å²	113.1	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-42.5	178.1	52.8	0	0	0	0	111.4	E102 S103 L108 R109 K110	E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 2.77Å; S103-T106 WeakPolarHBondContact CA-OG1 3.47Å; S103-T106 PolarHBondContact O-N 3.28Å; S103-T106 PolarHBondContact O-OG1 3.08Å; T106-L108 PolarHBondContact O-N 2.94Å; T106-R109 PolarHBondContact O-N 3.49Å; T106-K110 PolarHBondContact O-N 3.14Å
107	Y	83.8	Confident	81.7	Confident	130 Å²	130	112.7 Å²	112.7	51%	0.51	52%	0.524	S	S	.	.	H	α-helix	trans	-58.7	-46.2	173.6	173.3	-100	0	0	0	112	S103 R109 K110 R111	S103-Y107 VanDerWaalsContact O-CB 3.23Å; S103-Y107 WeakPolarHBondContact O-CB 3.28Å; S103-Y107 PolarHBondContact O-N 3.18Å; Y107-R109 PolarHBondContact O-N 2.84Å; Y107-K110 PolarHBondContact O-N 2.96Å; Y107-R111 WeakPolarHBondContact O-CB 3.45Å; Y107-R111 PolarHBondContact O-N 3.47Å; Y107-R111 PolarHBondContact OH-NH1 3.04Å
108	L	82.9	Confident	82.2	Confident	89 Å²	89	114.9 Å²	114.9	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-40.2	179.2	-73.9	170.6	0	0	0	112.2	R104 R105 T106 R111 Q112	R104-L108 HydrophobicContact CG-CD1 4.07Å; R104-L108 HydrophobicContact CG-CG 4.47Å; R104-L108 WeakPolarHBondContact O-CB 3.22Å; R104-L108 WeakPolarHBondContact O-CG 3.38Å; R104-L108 PolarHBondContact O-N 2.85Å; R105-L108 PolarHBondContact O-N 2.72Å; T106-L108 PolarHBondContact O-N 2.94Å; L108-R111 PolarHBondContact O-N 3.01Å; L108-Q112 WeakPolarHBondContact O-CB 3.48Å; L108-Q112 PolarHBondContact O-N 3.16Å
109	R	80	Confident	82.8	Confident	202 Å²	202	109.8 Å²	109.8	76%	0.762	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-44.9	176.8	-167.3	177.5	-176	171.7	1.9	111.7	R105 T106 Y107 Q112 S113	R105-R109 PolarHBondContact O-N 2.97Å; T106-R109 PolarHBondContact O-N 3.49Å; Y107-R109 PolarHBondContact O-N 2.84Å; R109-Q112 PolarHBondContact O-N 3.3Å; R109-S113 PolarHBondContact O-N 2.92Å; R109-S113 VanDerWaalsContact O-N 3.16Å
110	K	81.9	Confident	83.4	Confident	141 Å²	141	109.6 Å²	109.6	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-63.2	-48.6	175.7	-175.3	177.3	177	-177.9	0	111	T106 Y107 Q112 S113 D114	T106-K110 PolarHBondContact O-N 3.14Å; Y107-K110 PolarHBondContact O-N 2.96Å; K110-Q112 VanDerWaalsContact C-N 3.29Å; K110-Q112 PolarHBondContact O-N 3.47Å; K110-S113 WeakPolarHBondContact O-CA 3.33Å; K110-S113 WeakPolarHBondContact O-CB 3.18Å; K110-S113 PolarHBondContact O-N 3.47Å; K110-D114 VanDerWaalsContact O-CG 3.29Å; K110-D114 PolarHBondContact O-N 2.85Å
111	R	85.1	Confident	83.9	Confident	128 Å²	128	102.8 Å²	102.8	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-38.4	178.5	-174.9	177.9	-178.9	173.5	-3.3	112.7	Y107 L108 K115	Y107-R111 WeakPolarHBondContact O-CB 3.45Å; Y107-R111 PolarHBondContact O-N 3.47Å; Y107-R111 PolarHBondContact OH-NH1 3.04Å; L108-R111 PolarHBondContact O-N 3.01Å; R111-K115 VanDerWaalsContact O-CB 3.3Å; R111-K115 WeakPolarHBondContact O-CB 3.34Å; R111-K115 WeakPolarHBondContact O-CG 3.42Å; R111-K115 PolarHBondContact O-N 3.16Å
112	Q	81.8	Confident	84.4	Confident	108 Å²	108	100.1 Å²	100.1	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-43.6	174.7	-176.7	-178.5	4.2	0	0	111.4	L108 R109 K110 L116	L108-Q112 WeakPolarHBondContact O-CB 3.48Å; L108-Q112 PolarHBondContact O-N 3.16Å; R109-Q112 PolarHBondContact O-N 3.3Å; K110-Q112 VanDerWaalsContact C-N 3.29Å; K110-Q112 PolarHBondContact O-N 3.47Å; Q112-L116 HydrophobicContact CG-CD1 4.34Å; Q112-L116 WeakPolarHBondContact O-CG 3.07Å; Q112-L116 PolarHBondContact O-N 3.04Å; Q112-L116 VanDerWaalsContact O-N 3.11Å
113	S	83.5	Confident	84.9	Confident	70 Å²	70	96.1 Å²	96.1	49%	0.49	46%	0.458	S	S	.	.	H	α-helix	trans	-63.3	-48.2	176.1	-171.2	0	0	0	0	111.8	R109 K110 K115 L116 A117	R109-S113 PolarHBondContact O-N 2.92Å; R109-S113 VanDerWaalsContact O-N 3.16Å; K110-S113 WeakPolarHBondContact O-CA 3.33Å; K110-S113 WeakPolarHBondContact O-CB 3.18Å; K110-S113 PolarHBondContact O-N 3.47Å; S113-K115 PolarHBondContact O-N 3.33Å; S113-L116 PolarHBondContact O-N 3.35Å; S113-A117 PolarHBondContact O-N 3.05Å
114	D	85.7	Confident	85.4	Confident	72 Å²	72	97.8 Å²	97.8	39%	0.385	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-46.3	-179.6	-64.1	-12.9	0	0	0	110.1	K110 L116 A117 D118	K110-D114 VanDerWaalsContact O-CG 3.29Å; K110-D114 PolarHBondContact O-N 2.85Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.34Å; D114-A117 PolarHBondContact O-N 3.07Å; D114-A117 VanDerWaalsContact O-N 3.14Å; D114-D118 VanDerWaalsContact O-CG 3.23Å; D114-D118 PolarHBondContact O-N 3.38Å
115	K	87.5	Confident	85.7	Confident	131 Å²	131	93.1 Å²	93.1	57%	0.57	45%	0.446	S	S	*	.	H	α-helix	trans	-62.5	-32.7	176.9	-82.6	-69.2	-176.7	-170.7	0	114	R111 S113 L119	R111-K115 VanDerWaalsContact O-CB 3.3Å; R111-K115 WeakPolarHBondContact O-CB 3.34Å; R111-K115 WeakPolarHBondContact O-CG 3.42Å; R111-K115 PolarHBondContact O-N 3.16Å; S113-K115 PolarHBondContact O-N 3.33Å; K115-L119 WeakPolarHBondContact O-CB 3.48Å; K115-L119 PolarHBondContact O-N 3.02Å; K115-L119 VanDerWaalsContact O-N 3.07Å
116	L	87.8	Confident	85.8	Confident	29 Å²	29	85.9 Å²	85.9	15%	0.152	42%	0.421	C	S	.	.	H	α-helix	trans	-73.1	-38.3	174.9	-80.1	167.5	0	0	0	112	Q112 S113 D114 Q120 A153	Q112-L116 HydrophobicContact CG-CD1 4.34Å; Q112-L116 WeakPolarHBondContact O-CG 3.07Å; Q112-L116 PolarHBondContact O-N 3.04Å; Q112-L116 VanDerWaalsContact O-N 3.11Å; S113-L116 PolarHBondContact O-N 3.35Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.34Å; L116-Q120 WeakPolarHBondContact O-CB 3.34Å; L116-Q120 PolarHBondContact O-N 2.9Å; L116-A153 HydrophobicContact CD2-CB 3.45Å; L116-A153 VanDerWaalsContact CD2-CB 3.45Å
117	A	87.7	Confident	86	Confident	57 Å²	57	86 Å²	86	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-45.2	174.7	0	0	0	0	0	111.2	S113 D114 Q120 A121	S113-A117 PolarHBondContact O-N 3.05Å; D114-A117 PolarHBondContact O-N 3.07Å; D114-A117 VanDerWaalsContact O-N 3.14Å; A117-Q120 PolarHBondContact O-N 2.78Å; A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.2Å
118	D	89.5	Confident	85.8	Confident	92 Å²	92	85.8 Å²	85.8	49%	0.492	42%	0.423	S	S	.	.	H	α-helix	trans	-58.5	-49.3	175.4	-67.2	-16.4	0	0	0	111	D114 Q120 A121 E122	D114-D118 VanDerWaalsContact O-CG 3.23Å; D114-D118 PolarHBondContact O-N 3.38Å; D118-Q120 VanDerWaalsContact C-N 3.28Å; D118-Q120 PolarHBondContact O-N 3.48Å; D118-A121 PolarHBondContact O-N 2.82Å; D118-E122 WeakPolarHBondContact O-CB 3.33Å; D118-E122 PolarHBondContact O-N 2.86Å
119	L	90.9	Very high	85.6	Confident	27 Å²	27	87.7 Å²	87.7	14%	0.141	43%	0.427	C	S	.	.	H	α-helix	trans	-62.1	-36.3	178.4	-175.2	67.8	0	0	0	111.9	K115 I123 K146 I149 L150	K115-L119 WeakPolarHBondContact O-CB 3.48Å; K115-L119 PolarHBondContact O-N 3.02Å; K115-L119 VanDerWaalsContact O-N 3.07Å; L119-I123 HydrophobicContact CG-CD1 4.27Å; L119-I123 WeakPolarHBondContact O-CD1 3.33Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.22Å; L119-I123 PolarHBondContact O-N 3.17Å; L119-I123 VanDerWaalsContact O-N 3.12Å; L119-K146 HydrophobicContact CD1-CB 4.11Å; L119-K146 HydrophobicContact CD1-CG 4.16Å; L119-I149 HydrophobicContact CD2-CB 4.25Å; L119-I149 HydrophobicContact CD2-CG2 3.77Å; L119-L150 HydrophobicContact CB-CD1 4.46Å; L119-L150 HydrophobicContact CD2-CB 3.99Å; L119-L150 HydrophobicContact CD2-CD1 4.18Å; L119-L150 HydrophobicContact CG-CD1 4.19Å
120	Q	90.5	Very high	85.5	Confident	73 Å²	73	82.2 Å²	82.2	34%	0.341	41%	0.409	S	S	.	.	H	α-helix	trans	-70.3	-41.6	177	-171.4	170	-40.3	0	0	111.9	L116 A117 D118 Q124 L150 K154	L116-Q120 WeakPolarHBondContact O-CB 3.34Å; L116-Q120 PolarHBondContact O-N 2.9Å; A117-Q120 PolarHBondContact O-N 2.78Å; D118-Q120 VanDerWaalsContact C-N 3.28Å; D118-Q120 PolarHBondContact O-N 3.48Å; Q120-Q124 WeakPolarHBondContact O-CB 3.34Å; Q120-Q124 WeakPolarHBondContact O-CG 3.08Å; Q120-Q124 PolarHBondContact O-N 3.1Å; Q120-L150 HydrophobicContact CB-CD1 3.84Å; Q120-L150 HydrophobicContact CG-CD1 4.38Å; Q120-K154 VanDerWaalsContact OE1-NZ 3.07Å
121	A	88.5	Confident	85.1	Confident	42 Å²	42	83.1 Å²	83.1	35%	0.347	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-42.6	175.9	0	0	0	0	0	111	A117 D118 I123 Q124 D125	A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.2Å; D118-A121 PolarHBondContact O-N 2.82Å; A121-I123 PolarHBondContact O-N 3.49Å; A121-Q124 PolarHBondContact O-N 3.5Å; A121-Q124 VanDerWaalsContact O-N 3.15Å; A121-D125 WeakPolarHBondContact O-CB 3.43Å; A121-D125 PolarHBondContact O-N 3.12Å
122	E	89.4	Confident	84.7	Confident	86 Å²	86	84.7 Å²	84.7	40%	0.402	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-43.4	177.5	-168.4	178.7	176.6	0	0	111.9	D118 D125 E126 K146	D118-E122 WeakPolarHBondContact O-CB 3.33Å; D118-E122 PolarHBondContact O-N 2.86Å; E122-D125 PolarHBondContact O-N 3.38Å; E122-E126 WeakPolarHBondContact O-CB 3.49Å; E122-E126 WeakPolarHBondContact O-CG 3.2Å; E122-E126 PolarHBondContact O-N 2.99Å; E122-K146 WeakPolarHBondContact OE1-CE 3.46Å; E122-K146 IonicContact OE1-NZ 2.71Å; E122-K146 PolarHBondContact OE1-NZ 3.48Å
123	I	89.5	Confident	84.5	Confident	11 Å²	11	83.2 Å²	83.2	6%	0.056	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-40.6	174.2	-67.5	166.8	0	0	0	111.2	L119 A121 E126 E127 K146 K147 L150	L119-I123 HydrophobicContact CG-CD1 4.27Å; L119-I123 WeakPolarHBondContact O-CD1 3.33Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.22Å; L119-I123 PolarHBondContact O-N 3.17Å; L119-I123 VanDerWaalsContact O-N 3.12Å; A121-I123 PolarHBondContact O-N 3.49Å; I123-E126 PolarHBondContact O-N 3.21Å; I123-E127 HydrophobicContact CG2-CG 4.45Å; I123-E127 WeakPolarHBondContact O-CB 3.26Å; I123-E127 WeakPolarHBondContact O-CG 3.36Å; I123-E127 PolarHBondContact O-N 2.71Å; I123-K146 HydrophobicContact CD1-CB 4.17Å; I123-K146 HydrophobicContact CG1-CB 4.12Å; I123-K147 HydrophobicContact CD1-CG 4.23Å; I123-K147 HydrophobicContact CG2-CG 4.23Å; I123-L150 HydrophobicContact CD1-CB 4.01Å; I123-L150 HydrophobicContact CD1-CD1 4.24Å; I123-L150 HydrophobicContact CD1-CD2 4.38Å; I123-L150 HydrophobicContact CD1-CG 4.43Å
124	Q	87.6	Confident	84.1	Confident	109 Å²	109	89.5 Å²	89.5	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-40.8	178.5	-78.8	-178	-21.5	0	0	112.3	Q120 A121 E127 L128	Q120-Q124 WeakPolarHBondContact O-CB 3.34Å; Q120-Q124 WeakPolarHBondContact O-CG 3.08Å; Q120-Q124 PolarHBondContact O-N 3.1Å; A121-Q124 PolarHBondContact O-N 3.5Å; A121-Q124 VanDerWaalsContact O-N 3.15Å; Q124-E127 PolarHBondContact O-N 3.39Å; Q124-L128 WeakPolarHBondContact O-CB 3.36Å; Q124-L128 PolarHBondContact O-N 2.94Å
125	D	85.1	Confident	83.7	Confident	83 Å²	83	88.5 Å²	88.5	44%	0.444	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-45.1	175.2	-74.7	-16.7	0	0	0	109.7	A121 E122 E127 L128 F129	A121-D125 WeakPolarHBondContact O-CB 3.43Å; A121-D125 PolarHBondContact O-N 3.12Å; E122-D125 PolarHBondContact O-N 3.38Å; D125-E127 VanDerWaalsContact C-N 3.34Å; D125-E127 PolarHBondContact O-N 3.3Å; D125-L128 PolarHBondContact O-N 2.83Å; D125-F129 HydrophobicContact CB-CD2 3.92Å; D125-F129 HydrophobicContact CB-CE2 3.95Å; D125-F129 WeakPolarHBondContact O-CB 3.49Å; D125-F129 WeakPolarHBondContact O-CD2 3.36Å; D125-F129 PolarHBondContact O-N 3.47Å
126	E	83.5	Confident	83.6	Confident	42 Å²	42	85.9 Å²	85.9	20%	0.196	44%	0.438	C	S	.	.	H	α-helix	trans	-59.7	-43.6	176.2	-80.1	-179.6	-173.2	0	0	112	E122 I123 F130 L143 K146	E122-E126 WeakPolarHBondContact O-CB 3.49Å; E122-E126 WeakPolarHBondContact O-CG 3.2Å; E122-E126 PolarHBondContact O-N 2.99Å; I123-E126 PolarHBondContact O-N 3.21Å; E126-F130 HydrophobicContact CB-CD2 4.33Å; E126-F130 HydrophobicContact CG-CD2 4.4Å; E126-F130 HydrophobicContact CG-CE2 4.47Å; E126-F130 VanDerWaalsContact O-CB 3.31Å; E126-F130 WeakPolarHBondContact O-CB 3.37Å; E126-F130 VanDerWaalsContact O-CD2 3.32Å; E126-F130 WeakPolarHBondContact O-CD2 3.41Å; E126-F130 PolarHBondContact O-N 2.93Å; E126-L143 HydrophobicContact CB-CD1 4.07Å; E126-L143 WeakPolarHBondContact OE2-CD1 3.4Å; E126-K146 IonicContact OE1-NZ 3.8Å; E126-K146 PolarHBondContact OE1-NZ 3.39Å
127	E	83.1	Confident	83.4	Confident	84 Å²	84	91.4 Å²	91.4	39%	0.393	46%	0.463	S	S	.	.	H	α-helix	trans	-66.5	-46.6	176.2	-73.5	178.6	163.4	0	0	111.8	I123 Q124 D125 E131 K147	I123-E127 HydrophobicContact CG2-CG 4.45Å; I123-E127 WeakPolarHBondContact O-CB 3.26Å; I123-E127 WeakPolarHBondContact O-CG 3.36Å; I123-E127 PolarHBondContact O-N 2.71Å; Q124-E127 PolarHBondContact O-N 3.39Å; D125-E127 VanDerWaalsContact C-N 3.34Å; D125-E127 PolarHBondContact O-N 3.3Å; E127-E131 VanDerWaalsContact O-CB 3.28Å; E127-E131 WeakPolarHBondContact O-CB 3.42Å; E127-E131 PolarHBondContact O-N 3.2Å; E127-E131 VanDerWaalsContact O-N 3.11Å; E127-K147 WeakPolarHBondContact OE1-CE 3.46Å; E127-K147 IonicContact OE1-NZ 2.63Å; E127-K147 PolarHBondContact OE1-NZ 3.2Å
128	L	79.6	Confident	83.3	Confident	126 Å²	126	95.2 Å²	95.2	66%	0.66	48%	0.475	S	S	*	.	H	α-helix	trans	-68.3	-41	-175.9	-175.3	72.2	0	0	0	112.6	Q124 D125	Q124-L128 WeakPolarHBondContact O-CB 3.36Å; Q124-L128 PolarHBondContact O-N 2.94Å; D125-L128 PolarHBondContact O-N 2.83Å
129	F	78.9	Confident	83	Confident	129 Å²	129	95.1 Å²	95.1	57%	0.566	47%	0.472	S	S	*	.	H	α-helix	trans	-85.8	-29.3	-175.3	-66	-61.3	0	0	0	112.8	D125	D125-F129 HydrophobicContact CB-CD2 3.92Å; D125-F129 HydrophobicContact CB-CE2 3.95Å; D125-F129 WeakPolarHBondContact O-CB 3.49Å; D125-F129 WeakPolarHBondContact O-CD2 3.36Å; D125-F129 PolarHBondContact O-N 3.47Å
130	F	78.8	Confident	82.6	Confident	86 Å²	86	98.6 Å²	98.6	38%	0.377	49%	0.486	S	S	.	.	H	α-helix	trans	-117.1	9.8	-172.4	-49	-68.4	0	0	0	115.2	E126 N132 E133 L135	E126-F130 HydrophobicContact CB-CD2 4.33Å; E126-F130 HydrophobicContact CG-CD2 4.4Å; E126-F130 HydrophobicContact CG-CE2 4.47Å; E126-F130 VanDerWaalsContact O-CB 3.31Å; E126-F130 WeakPolarHBondContact O-CB 3.37Å; E126-F130 VanDerWaalsContact O-CD2 3.32Å; E126-F130 WeakPolarHBondContact O-CD2 3.41Å; E126-F130 PolarHBondContact O-N 2.93Å; F130-N132 PolarHBondContact O-N 3.13Å; F130-E133 WeakPolarHBondContact CD1-OE2 3.2Å; F130-E133 PolarHBondContact O-N 2.86Å; F130-L135 HydrophobicContact CB-CD2 4.46Å
131	E	73	Confident	82.5	Confident	161 Å²	161	98 Å²	98	75%	0.752	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.4	178.6	-158.4	174.2	-178.9	0	0	113.4	E127	E127-E131 VanDerWaalsContact O-CB 3.28Å; E127-E131 WeakPolarHBondContact O-CB 3.42Å; E127-E131 PolarHBondContact O-N 3.2Å; E127-E131 VanDerWaalsContact O-N 3.11Å
132	N	76.9	Confident	82.5	Confident	160 Å²	160	101 Å²	101	86%	0.856	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	6.4	-174.7	-61.3	-54.4	0	0	0	113.7	F130	F130-N132 PolarHBondContact O-N 3.13Å
133	E	76.8	Confident	82.4	Confident	77 Å²	77	98.1 Å²	98.1	36%	0.36	49%	0.488	S	S	.	.	S	Bend	trans	-108	141.6	-178.1	-60.6	-159.7	149.7	0	0	112.1	F130 L135 A255	F130-E133 WeakPolarHBondContact CD1-OE2 3.2Å; F130-E133 PolarHBondContact O-N 2.86Å; E133-L135 PolarHBondContact O-N 3.39Å; E133-A255 WeakPolarHBondContact OE1-CB 3.3Å
134	E	75.9	Confident	82.4	Confident	203 Å²	203	103 Å²	103	95%	0.949	51%	0.513	S	S	*	.			trans	-73.6	94	174.4	-74.5	-172.6	164.7	0	0	110.3
135	L	78.5	Confident	82.7	Confident	50 Å²	50	105.2 Å²	105.2	26%	0.262	52%	0.518	S	S	.	.			trans	-62.6	139	173.7	-68.3	152	0	0	0	111.3	F130 E133 E139 K140	F130-L135 HydrophobicContact CB-CD2 4.46Å; E133-L135 PolarHBondContact O-N 3.39Å; L135-E139 HydrophobicContact CB-CB 4.3Å; L135-E139 HydrophobicContact CD2-CB 3.95Å; L135-K140 HydrophobicContact CB-CG 3.8Å; L135-K140 WeakPolarHBondContact O-CE 3.41Å
136	T	84.4	Confident	83	Confident	77 Å²	77	102.1 Å²	102.1	47%	0.472	50%	0.501	S	S	.	.			trans	-65.5	158.4	172.6	63.9	0	0	0	0	111.3	N138 E139 K140	T136-N138 PolarHBondContact O-N 3.09Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 PolarHBondContact N-OE2 2.96Å; T136-E139 PolarHBondContact O-N 2.95Å; T136-E139 VanDerWaalsContact O-N 3.12Å; T136-E139 VanDerWaalsContact OG1-CG 3.25Å; T136-E139 WeakPolarHBondContact OG1-CG 3.19Å; T136-E139 PolarHBondContact OG1-N 3.01Å; T136-E139 PolarHBondContact OG1-OE2 3.05Å; T136-K140 PolarHBondContact O-N 3.48Å
137	E	83.4	Confident	83.4	Confident	145 Å²	145	104 Å²	104	68%	0.678	51%	0.508	S	S	*	.	H	α-helix	trans	-56.4	-36.2	179	-73.7	-68.1	125.8	0	0	112.9	K140 A141	E137-K140 IonicContact OE1-NZ 3.95Å; E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.43Å
138	N	85.2	Confident	83.8	Confident	136 Å²	136	103.3 Å²	103.3	73%	0.727	51%	0.51	S	S	*	.	H	α-helix	trans	-67.5	-43.7	176.7	-74.6	-14.8	0	0	0	111.9	T136 A141 E142	T136-N138 PolarHBondContact O-N 3.09Å; N138-A141 PolarHBondContact O-N 2.92Å; N138-E142 WeakPolarHBondContact O-CB 3.43Å; N138-E142 PolarHBondContact O-N 3.47Å
139	E	83.6	Confident	84.3	Confident	90 Å²	90	100.6 Å²	100.6	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-40.2	178.2	-70.8	161	162.8	0	0	111.4	L135 T136 A141 E142 L143	L135-E139 HydrophobicContact CB-CB 4.3Å; L135-E139 HydrophobicContact CD2-CB 3.95Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 PolarHBondContact N-OE2 2.96Å; T136-E139 PolarHBondContact O-N 2.95Å; T136-E139 VanDerWaalsContact O-N 3.12Å; T136-E139 VanDerWaalsContact OG1-CG 3.25Å; T136-E139 WeakPolarHBondContact OG1-CG 3.19Å; T136-E139 PolarHBondContact OG1-N 3.01Å; T136-E139 PolarHBondContact OG1-OE2 3.05Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 2.82Å; E139-E142 PolarHBondContact O-N 3.49Å; E139-L143 WeakPolarHBondContact O-CB 3.32Å; E139-L143 PolarHBondContact O-N 3.38Å
140	K	83	Confident	84.9	Confident	101 Å²	101	95.7 Å²	95.7	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-59.5	-44.2	172.5	-72.1	177.9	-176	162.1	0	111.5	L135 T136 E137 E142 L144	L135-K140 HydrophobicContact CB-CG 3.8Å; L135-K140 WeakPolarHBondContact O-CE 3.41Å; T136-K140 PolarHBondContact O-N 3.48Å; E137-K140 IonicContact OE1-NZ 3.95Å; K140-E142 VanDerWaalsContact C-N 3.34Å; K140-L144 VanDerWaalsContact O-CB 3.23Å; K140-L144 WeakPolarHBondContact O-CB 3.42Å; K140-L144 PolarHBondContact O-N 2.91Å
141	A	87.4	Confident	85.4	Confident	61 Å²	61	94 Å²	94	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-39.3	177.6	0	0	0	0	0	111.9	E137 N138 E139 Y145	E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.43Å; N138-A141 PolarHBondContact O-N 2.92Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 2.82Å; A141-Y145 WeakPolarHBondContact O-CB 3.38Å; A141-Y145 PolarHBondContact O-N 3.04Å
142	E	89.8	Confident	86.2	Confident	105 Å²	105	90.9 Å²	90.9	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-67.6	-47.3	177.4	-171.7	176.6	167.5	0	0	112.2	N138 E139 K140 L144 Y145 K146	N138-E142 WeakPolarHBondContact O-CB 3.43Å; N138-E142 PolarHBondContact O-N 3.47Å; E139-E142 PolarHBondContact O-N 3.49Å; K140-E142 VanDerWaalsContact C-N 3.34Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 3.39Å; E142-Y145 WeakPolarHBondContact O-CA 3.34Å; E142-Y145 WeakPolarHBondContact O-CB 3.17Å; E142-Y145 PolarHBondContact O-N 3.01Å; E142-Y145 VanDerWaalsContact O-N 3.12Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 VanDerWaalsContact OE1-CE 3.31Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 2.73Å; E142-K146 PolarHBondContact OE1-NZ 2.87Å
143	L	87.3	Confident	86.7	Confident	25 Å²	25	84.4 Å²	84.4	13%	0.131	44%	0.437	C	S	.	.	H	α-helix	trans	-62	-40.2	177.2	-175.4	150.1	0	0	0	111	E126 E139 K146 K147	E126-L143 HydrophobicContact CB-CD1 4.07Å; E126-L143 WeakPolarHBondContact OE2-CD1 3.4Å; E139-L143 WeakPolarHBondContact O-CB 3.32Å; E139-L143 PolarHBondContact O-N 3.38Å; L143-K146 PolarHBondContact O-N 3.42Å; L143-K147 HydrophobicContact CD2-CD 3.78Å; L143-K147 VanDerWaalsContact CD2-CE 3.44Å; L143-K147 HydrophobicContact CD2-CG 4.43Å; L143-K147 WeakPolarHBondContact O-CB 3.34Å; L143-K147 WeakPolarHBondContact O-CG 3.34Å; L143-K147 PolarHBondContact O-N 2.96Å
144	L	89.5	Confident	87.1	Confident	113 Å²	113	84.5 Å²	84.5	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-41	174.1	-157.4	160.5	0	0	0	111.1	K140 E142 K147 T148	K140-L144 VanDerWaalsContact O-CB 3.23Å; K140-L144 WeakPolarHBondContact O-CB 3.42Å; K140-L144 PolarHBondContact O-N 2.91Å; E142-L144 VanDerWaalsContact C-N 3.31Å; E142-L144 PolarHBondContact O-N 3.39Å; L144-K147 PolarHBondContact O-N 3.42Å; L144-T148 WeakPolarHBondContact O-CB 3.23Å; L144-T148 PolarHBondContact O-N 3.08Å; L144-T148 PolarHBondContact O-OG1 3.37Å
145	Y	92.3	Very high	87.4	Confident	156 Å²	156	78.1 Å²	78.1	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-61.8	-47.5	174.2	176.5	-107	0	0	0	112.4	A141 E142 K147 T148 I149	A141-Y145 WeakPolarHBondContact O-CB 3.38Å; A141-Y145 PolarHBondContact O-N 3.04Å; E142-Y145 WeakPolarHBondContact O-CA 3.34Å; E142-Y145 WeakPolarHBondContact O-CB 3.17Å; E142-Y145 PolarHBondContact O-N 3.01Å; E142-Y145 VanDerWaalsContact O-N 3.12Å; Y145-K147 PolarHBondContact O-N 2.97Å; Y145-T148 WeakPolarHBondContact O-CB 3.4Å; Y145-T148 PolarHBondContact O-N 3.5Å; Y145-T148 VanDerWaalsContact O-N 3.16Å; Y145-I149 HydrophobicContact CD1-CD1 3.81Å; Y145-I149 HydrophobicContact CD2-CD1 4.47Å; Y145-I149 HydrophobicContact CE1-CD1 3.29Å; Y145-I149 HydrophobicContact CE1-CG1 4.41Å; Y145-I149 HydrophobicContact CE2-CD1 4.02Å; Y145-I149 HydrophobicContact CE2-CG1 4.38Å; Y145-I149 HydrophobicContact CG-CD1 4.38Å; Y145-I149 VanDerWaalsContact CZ-CD1 3.42Å; Y145-I149 PolarHBondContact O-N 3.04Å
146	K	93	Very high	87.5	Confident	18 Å²	18	82.1 Å²	82.1	8%	0.078	43%	0.431	C	S	.	.	H	α-helix	trans	-57.6	-47.2	175.6	-71.5	178.5	-174.1	175.8	0	111.4	L119 E122 I123 E126 E142 L143 T148 I149 L150	L119-K146 HydrophobicContact CD1-CB 4.11Å; L119-K146 HydrophobicContact CD1-CG 4.16Å; E122-K146 WeakPolarHBondContact OE1-CE 3.46Å; E122-K146 IonicContact OE1-NZ 2.71Å; E122-K146 PolarHBondContact OE1-NZ 3.48Å; I123-K146 HydrophobicContact CD1-CB 4.17Å; I123-K146 HydrophobicContact CG1-CB 4.12Å; E126-K146 IonicContact OE1-NZ 3.8Å; E126-K146 PolarHBondContact OE1-NZ 3.39Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 VanDerWaalsContact OE1-CE 3.31Å; E142-K146 WeakPolarHBondContact OE1-CE 3.4Å; E142-K146 IonicContact OE1-NZ 2.73Å; E142-K146 PolarHBondContact OE1-NZ 2.87Å; L143-K146 PolarHBondContact O-N 3.42Å; K146-T148 VanDerWaalsContact C-N 3.32Å; K146-T148 PolarHBondContact O-N 3.44Å; K146-I149 PolarHBondContact O-N 2.88Å; K146-L150 PolarHBondContact O-N 3.48Å
147	K	90.9	Very high	87.1	Confident	80 Å²	80	83 Å²	83	35%	0.348	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-41.2	175.1	-75.9	-178.1	176.6	-178	0	112.5	I123 E127 L143 L144 Y145 L150 A151	I123-K147 HydrophobicContact CD1-CG 4.23Å; I123-K147 HydrophobicContact CG2-CG 4.23Å; E127-K147 WeakPolarHBondContact OE1-CE 3.46Å; E127-K147 IonicContact OE1-NZ 2.63Å; E127-K147 PolarHBondContact OE1-NZ 3.2Å; L143-K147 HydrophobicContact CD2-CD 3.78Å; L143-K147 VanDerWaalsContact CD2-CE 3.44Å; L143-K147 HydrophobicContact CD2-CG 4.43Å; L143-K147 WeakPolarHBondContact O-CB 3.34Å; L143-K147 WeakPolarHBondContact O-CG 3.34Å; L143-K147 PolarHBondContact O-N 2.96Å; L144-K147 PolarHBondContact O-N 3.42Å; Y145-K147 PolarHBondContact O-N 2.97Å; K147-L150 PolarHBondContact O-N 3.3Å; K147-A151 WeakPolarHBondContact O-CB 3.44Å; K147-A151 PolarHBondContact O-N 3.24Å
148	T	91.1	Very high	86.8	Confident	70 Å²	70	81.6 Å²	81.6	43%	0.429	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-43.7	178.6	-51.6	0	0	0	0	111	L144 Y145 K146 A151 V152	L144-T148 WeakPolarHBondContact O-CB 3.23Å; L144-T148 PolarHBondContact O-N 3.08Å; L144-T148 PolarHBondContact O-OG1 3.37Å; Y145-T148 WeakPolarHBondContact O-CB 3.4Å; Y145-T148 PolarHBondContact O-N 3.5Å; Y145-T148 VanDerWaalsContact O-N 3.16Å; K146-T148 VanDerWaalsContact C-N 3.32Å; K146-T148 PolarHBondContact O-N 3.44Å; T148-A151 PolarHBondContact O-N 3.02Å; T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.43Å; T148-V152 PolarHBondContact O-N 3.48Å
149	I	91	Very high	86.2	Confident	70 Å²	70	77.5 Å²	77.5	36%	0.359	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-48.5	175.2	-69.5	167.3	0	0	0	111	L119 Y145 K146 A151 V152 A153	L119-I149 HydrophobicContact CD2-CB 4.25Å; L119-I149 HydrophobicContact CD2-CG2 3.77Å; Y145-I149 HydrophobicContact CD1-CD1 3.81Å; Y145-I149 HydrophobicContact CD2-CD1 4.47Å; Y145-I149 HydrophobicContact CE1-CD1 3.29Å; Y145-I149 HydrophobicContact CE1-CG1 4.41Å; Y145-I149 HydrophobicContact CE2-CD1 4.02Å; Y145-I149 HydrophobicContact CE2-CG1 4.38Å; Y145-I149 HydrophobicContact CG-CD1 4.38Å; Y145-I149 VanDerWaalsContact CZ-CD1 3.42Å; Y145-I149 PolarHBondContact O-N 3.04Å; K146-I149 PolarHBondContact O-N 2.88Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 2.68Å; I149-V152 PolarHBondContact O-N 3.4Å; I149-A153 WeakPolarHBondContact O-CB 3.26Å; I149-A153 PolarHBondContact O-N 3.43Å
150	L	90.6	Very high	85.3	Confident	25 Å²	25	75 Å²	75	13%	0.131	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-43.5	-180	-173.3	108.9	0	0	0	111.1	L119 Q120 I123 K146 K147 A153 K154	L119-L150 HydrophobicContact CB-CD1 4.46Å; L119-L150 HydrophobicContact CD2-CB 3.99Å; L119-L150 HydrophobicContact CD2-CD1 4.18Å; L119-L150 HydrophobicContact CG-CD1 4.19Å; Q120-L150 HydrophobicContact CB-CD1 3.84Å; Q120-L150 HydrophobicContact CG-CD1 4.38Å; I123-L150 HydrophobicContact CD1-CB 4.01Å; I123-L150 HydrophobicContact CD1-CD1 4.24Å; I123-L150 HydrophobicContact CD1-CD2 4.38Å; I123-L150 HydrophobicContact CD1-CG 4.43Å; K146-L150 PolarHBondContact O-N 3.48Å; K147-L150 PolarHBondContact O-N 3.3Å; L150-A153 PolarHBondContact O-N 2.66Å; L150-K154 HydrophobicContact CD2-CD 4.18Å; L150-K154 HydrophobicContact CG-CD 4.41Å; L150-K154 WeakPolarHBondContact O-CB 3.46Å; L150-K154 WeakPolarHBondContact O-CG 3.23Å; L150-K154 PolarHBondContact O-N 3.5Å
151	A	89.4	Confident	84.3	Confident	50 Å²	50	77 Å²	77	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-44.5	177.8	0	0	0	0	0	112.3	K147 T148 I149 K154 S155	K147-A151 WeakPolarHBondContact O-CB 3.44Å; K147-A151 PolarHBondContact O-N 3.24Å; T148-A151 PolarHBondContact O-N 3.02Å; I149-A151 VanDerWaalsContact C-N 3.32Å; I149-A151 PolarHBondContact O-N 2.68Å; A151-K154 PolarHBondContact O-N 2.94Å; A151-S155 WeakPolarHBondContact O-CB 3.43Å; A151-S155 PolarHBondContact O-N 2.82Å; A151-S155 PolarHBondContact O-OG 2.93Å
152	V	89.6	Confident	82.7	Confident	96 Å²	96	79.9 Å²	79.9	58%	0.582	42%	0.424	S	S	*	.	H	α-helix	trans	-63.2	-42.8	176.1	171	0	0	0	0	110.9	T148 I149 S155 H156	T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.43Å; T148-V152 PolarHBondContact O-N 3.48Å; I149-V152 PolarHBondContact O-N 3.4Å; V152-S155 PolarHBondContact O-N 2.82Å; V152-H156 WeakPolarHBondContact O-CB 3.42Å; V152-H156 PolarHBondContact O-N 2.96Å
153	A	87.4	Confident	80.8	Confident	25 Å²	25	81.1 Å²	81.1	21%	0.207	43%	0.43	C	S	.	.	H	α-helix	trans	-67.3	-40.7	179.3	0	0	0	0	0	112.9	L116 I149 L150 H156 Q157	L116-A153 HydrophobicContact CD2-CB 3.45Å; L116-A153 VanDerWaalsContact CD2-CB 3.45Å; I149-A153 WeakPolarHBondContact O-CB 3.26Å; I149-A153 PolarHBondContact O-N 3.43Å; L150-A153 PolarHBondContact O-N 2.66Å; A153-H156 PolarHBondContact O-N 2.92Å; A153-Q157 PolarHBondContact O-N 3.44Å
154	K	85.6	Confident	78.6	Confident	78 Å²	78	86.6 Å²	86.6	34%	0.339	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-41.1	172.5	-76.2	-176.2	176.7	-178.9	0	111.6	Q120 L150 A151 H156 Q157 Q158	Q120-K154 VanDerWaalsContact OE1-NZ 3.07Å; L150-K154 HydrophobicContact CD2-CD 4.18Å; L150-K154 HydrophobicContact CG-CD 4.41Å; L150-K154 WeakPolarHBondContact O-CB 3.46Å; L150-K154 WeakPolarHBondContact O-CG 3.23Å; L150-K154 PolarHBondContact O-N 3.5Å; A151-K154 PolarHBondContact O-N 2.94Å; K154-H156 VanDerWaalsContact C-N 3.32Å; K154-H156 PolarHBondContact O-N 2.99Å; K154-Q157 PolarHBondContact O-N 2.89Å; K154-Q158 WeakPolarHBondContact O-CG 3.2Å; K154-Q158 PolarHBondContact O-N 3.13Å
155	S	83.4	Confident	76.1	Confident	69 Å²	69	87.1 Å²	87.1	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-62.7	-39.5	175.3	-57.8	0	0	0	0	111.7	A151 V152 Q158 A159	A151-S155 WeakPolarHBondContact O-CB 3.43Å; A151-S155 PolarHBondContact O-N 2.82Å; A151-S155 PolarHBondContact O-OG 2.93Å; V152-S155 PolarHBondContact O-N 2.82Å; S155-Q158 PolarHBondContact O-N 2.88Å; S155-A159 VanDerWaalsContact O-CB 3.27Å; S155-A159 WeakPolarHBondContact O-CB 3.41Å; S155-A159 PolarHBondContact O-N 3.2Å
156	H	79.6	Confident	73.3	Confident	135 Å²	135	89.2 Å²	89.2	63%	0.625	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-38.4	174.3	-176.5	-70.5	0	0	0	112.3	V152 A153 K154 G160	V152-H156 WeakPolarHBondContact O-CB 3.42Å; V152-H156 PolarHBondContact O-N 2.96Å; A153-H156 PolarHBondContact O-N 2.92Å; K154-H156 VanDerWaalsContact C-N 3.32Å; K154-H156 PolarHBondContact O-N 2.99Å; H156-G160 PolarHBondContact O-N 3.24Å
157	Q	76.2	Confident	70.5	Confident	96 Å²	96	98.2 Å²	98.2	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-46.9	173.5	-79.5	-176.5	-18.7	0	0	111.5	A153 K154 A159 G160 E161	A153-Q157 PolarHBondContact O-N 3.44Å; K154-Q157 PolarHBondContact O-N 2.89Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 2.77Å; Q157-G160 WeakPolarHBondContact O-CA 3.45Å; Q157-G160 PolarHBondContact O-N 3.09Å; Q157-G160 VanDerWaalsContact O-N 3.13Å; Q157-E161 PolarHBondContact O-N 3.07Å
158	Q	76.4	Confident	68	Low	115 Å²	115	103.7 Å²	103.7	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-37.3	176.9	-71.4	177.1	-2.6	0	0	112.4	K154 S155 G160 E161 L162	K154-Q158 WeakPolarHBondContact O-CG 3.2Å; K154-Q158 PolarHBondContact O-N 3.13Å; S155-Q158 PolarHBondContact O-N 2.88Å; Q158-G160 VanDerWaalsContact C-N 3.29Å; Q158-G160 PolarHBondContact O-N 3.44Å; Q158-E161 CarbonylContact O-C 3.59Å; Q158-E161 PolarHBondContact O-N 3.47Å; Q158-E161 VanDerWaalsContact O-N 3.15Å; Q158-L162 WeakPolarHBondContact O-CB 3.35Å; Q158-L162 PolarHBondContact O-N 2.99Å
159	A	73.5	Confident	65.7	Low	50 Å²	50	107.9 Å²	107.9	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-38.2	173.2	0	0	0	0	0	111.1	S155 Q157 E161 L162 E163	S155-A159 VanDerWaalsContact O-CB 3.27Å; S155-A159 WeakPolarHBondContact O-CB 3.41Å; S155-A159 PolarHBondContact O-N 3.2Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 2.77Å; A159-E161 VanDerWaalsContact C-N 3.33Å; A159-L162 PolarHBondContact O-N 3.2Å; A159-E163 WeakPolarHBondContact O-CB 3.23Å; A159-E163 WeakPolarHBondContact O-CG 3.38Å; A159-E163 PolarHBondContact O-N 3.14Å
160	G	63.7	Low	63.4	Low	37 Å²	37	110.8 Å²	110.8	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-34.6	171.7	0	0	0	0	0	113.5	H156 Q157 Q158	H156-G160 PolarHBondContact O-N 3.24Å; Q157-G160 WeakPolarHBondContact O-CA 3.45Å; Q157-G160 PolarHBondContact O-N 3.09Å; Q157-G160 VanDerWaalsContact O-N 3.13Å; Q158-G160 VanDerWaalsContact C-N 3.29Å; Q158-G160 PolarHBondContact O-N 3.44Å
161	E	62.7	Low	61	Low	142 Å²	142	112.9 Å²	112.9	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-73.1	-36.1	173.6	-70.7	178.3	171.8	0	0	112.4	Q157 Q158 A159 N164	Q157-E161 PolarHBondContact O-N 3.07Å; Q158-E161 CarbonylContact O-C 3.59Å; Q158-E161 PolarHBondContact O-N 3.47Å; Q158-E161 VanDerWaalsContact O-N 3.15Å; A159-E161 VanDerWaalsContact C-N 3.33Å; E161-N164 WeakPolarHBondContact O-CB 3.37Å; E161-N164 PolarHBondContact O-N 3.44Å
162	L	53.9	Low	59	Low	122 Å²	122	114.2 Å²	114.2	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-70.5	-30.6	171.8	-90.7	150.5	0	0	0	112.2	Q158 A159 N164 I165	Q158-L162 WeakPolarHBondContact O-CB 3.35Å; Q158-L162 PolarHBondContact O-N 2.99Å; A159-L162 PolarHBondContact O-N 3.2Å; L162-N164 PolarHBondContact O-N 3.29Å; L162-I165 WeakPolarHBondContact O-CD1 3.3Å; L162-I165 WeakPolarHBondContact O-CG1 3.29Å; L162-I165 PolarHBondContact O-N 2.83Å
163	E	48.8	Very low	57.3	Low	131 Å²	131	119.7 Å²	119.7	61%	0.612	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-5.2	171.5	-81.2	-166.6	174.4	0	0	113.6	A159 I165	A159-E163 WeakPolarHBondContact O-CB 3.23Å; A159-E163 WeakPolarHBondContact O-CG 3.38Å; A159-E163 PolarHBondContact O-N 3.14Å; E163-I165 PolarHBondContact O-N 3.26Å
164	N	42.2	Very low	55.6	Low	140 Å²	140	127 Å²	127	75%	0.749	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	21.6	162.5	-79.3	-25.9	0	0	0	113	E161 L162 F166	E161-N164 WeakPolarHBondContact O-CB 3.37Å; E161-N164 PolarHBondContact O-N 3.44Å; L162-N164 PolarHBondContact O-N 3.29Å; N164-F166 PolarHBondContact O-N 3.18Å
165	I	37.4	Very low	53.4	Low	124 Å²	124	129.8 Å²	129.8	64%	0.636	63%	0.631	S	S	*	*	S	Bend	trans	-66.3	98.9	157.7	-67.5	159.3	0	0	0	107.9	L162 E163 R167	L162-I165 WeakPolarHBondContact O-CD1 3.3Å; L162-I165 WeakPolarHBondContact O-CG1 3.29Å; L162-I165 PolarHBondContact O-N 2.83Å; E163-I165 PolarHBondContact O-N 3.26Å; I165-R167 PolarHBondContact O-N 3.22Å
166	F	33.8	Very low	51.4	Low	200 Å²	200	136.1 Å²	136.1	88%	0.877	64%	0.644	S	S	*	*			trans	29.4	66.7	156.2	-66.6	-83.7	0	0	0	115.8	N164 Y168	N164-F166 PolarHBondContact O-N 3.18Å; F166-Y168 PolarHBondContact O-N 2.84Å
167	R	32.5	Very low	49.8	Very low	208 Å²	208	134.5 Å²	134.5	79%	0.785	65%	0.645	S	S	*	*			trans	-72.8	115.9	158.6	-78.4	-171.1	-179.8	175.9	5.8	108.3	I165 Y169	I165-R167 PolarHBondContact O-N 3.22Å; R167-Y169 PolarHBondContact O-N 2.93Å
168	Y	39.5	Very low	48.3	Very low	194 Å²	194	138.3 Å²	138.3	76%	0.761	66%	0.663	S	S	*	*			trans	-42.4	109.5	164.5	178.5	-96.8	0	0	0	109.5	F166 I170	F166-Y168 PolarHBondContact O-N 2.84Å; Y168-I170 PolarHBondContact O-N 3.3Å
169	Y	42.4	Very low	46.8	Very low	158 Å²	158	138.5 Å²	138.5	62%	0.62	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-76	118.2	177.7	-174	-99.3	0	0	0	107.9	R167 P171	R167-Y169 PolarHBondContact O-N 2.93Å; Y169-P171 WeakPolarHBondContact O-CD 3.24Å; Y169-P171 VanDerWaalsContact O-N 3.15Å
170	I	43.4	Very low	45.1	Very low	132 Å²	132	144.4 Å²	144.4	68%	0.677	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.6	116.5	176.4	-63.7	172.9	0	0	0	107.1	Y168 T172	Y168-I170 PolarHBondContact O-N 3.3Å; I170-T172 PolarHBondContact O-N 3.23Å; I170-T172 VanDerWaalsContact O-N 3.16Å
171	P	39	Very low	43.5	Very low	69 Å²	69	151.8 Å²	151.8	45%	0.448	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-59.2	121.9	-179.5	-22	33.1	0	0	0	109.8	Y169	Y169-P171 WeakPolarHBondContact O-CD 3.24Å; Y169-P171 VanDerWaalsContact O-N 3.15Å
172	T	47.5	Very low	42.1	Very low	77 Å²	77	153.2 Å²	153.2	47%	0.472	72%	0.722	S	S	.	*	B	Isolated β-bridge	trans	-93.1	153	165.3	44	0	0	0	0	108.7	I170 E174 K175	I170-T172 PolarHBondContact O-N 3.23Å; I170-T172 VanDerWaalsContact O-N 3.16Å; T172-E174 PolarHBondContact O-N 3.09Å; T172-K175 PolarHBondContact O-N 3.4Å
173	E	54.2	Low	40.9	Very low	211 Å²	211	157.6 Å²	157.6	99%	0.986	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-21	-167.3	-72.6	-175.2	155.7	0	0	115.1
174	E	52	Low	40	Very low	180 Å²	180	154.4 Å²	154.4	84%	0.841	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-11.1	-176.5	-63.9	-175	164.1	0	0	115.3	T172	T172-E174 PolarHBondContact O-N 3.09Å
175	K	38.4	Very low	39.5	Very low	136 Å²	136	153.5 Å²	153.5	59%	0.591	74%	0.744	S	S	*	*	B	Isolated β-bridge	trans	-136.7	113.7	-172.6	-71.7	-172.7	178.3	179.9	0	112.9	T172	T172-K175 PolarHBondContact O-N 3.4Å
176	R	42.5	Very low	39	Very low	202 Å²	202	156.3 Å²	156.3	76%	0.762	75%	0.754	S	S	*	*			trans	-88.4	149.6	175.1	-65	-177.6	-171.5	-177.5	3.5	109.8	E178 D179	R176-E178 PolarHBondContact O-N 3.17Å; R176-D179 PolarHBondContact O-N 3.02Å
177	P	46	Very low	39.1	Very low	100 Å²	100	151.6 Å²	151.6	65%	0.649	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-62	-13.5	-175.6	-22.7	33.6	0	0	0	115.4	D179	P177-D179 VanDerWaalsContact C-N 3.31Å; P177-D179 PolarHBondContact O-N 2.77Å
178	E	45	Very low	39.1	Very low	177 Å²	177	151.5 Å²	151.5	83%	0.827	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-80	-7.5	-173.5	-61.9	178.4	-156	0	0	113.6	R176 H180	R176-E178 PolarHBondContact O-N 3.17Å; E178-H180 PolarHBondContact O-N 3.48Å
179	D	43.4	Very low	38.7	Very low	119 Å²	119	149.7 Å²	149.7	64%	0.636	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-83.8	16.9	-175.2	-64.3	-28.3	0	0	0	114.9	R176 P177	R176-D179 PolarHBondContact O-N 3.02Å; P177-D179 VanDerWaalsContact C-N 3.31Å; P177-D179 PolarHBondContact O-N 2.77Å
180	H	39.3	Very low	38.4	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.806	76%	0.764	S	S	*	*			trans	-112.6	82.8	179.7	-76.6	-58.7	0	0	0	112.6	E178	E178-H180 PolarHBondContact O-N 3.48Å
181	E	30.2	Very low	38.8	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	76%	0.756	S	S	*	*			trans	-78.2	136	162.6	-81.3	-171.4	159.4	0	0	112	K183	E181-K183 PolarHBondContact O-N 3.13Å
182	L	32.2	Very low	39.4	Very low	172 Å²	172	152.3 Å²	152.3	90%	0.901	77%	0.771	S	S	*	*			trans	-69.5	108.6	-169	-66	150.3	0	0	0	112.3	G184	L182-G184 PolarHBondContact O-N 3.35Å
183	K	28.2	Very low	40	Very low	213 Å²	213	151 Å²	151	93%	0.926	77%	0.772	S	S	*	*			trans	-83.1	90.8	162.7	-76.6	-170	176.9	-176.6	0	109.8	E181	E181-K183 PolarHBondContact O-N 3.13Å
184	G	31.6	Very low	40.2	Very low	65 Å²	65	147.8 Å²	147.8	67%	0.67	76%	0.755	S	S	*	*			trans	-55.2	136.3	168.4	0	0	0	0	0	111.2	L182 E186	L182-G184 PolarHBondContact O-N 3.35Å; G184-E186 PolarHBondContact O-N 2.72Å; G184-E186 VanDerWaalsContact O-N 3.13Å
185	S	30.6	Very low	40.3	Very low	121 Å²	121	147.2 Å²	147.2	85%	0.846	75%	0.745	S	S	*	*			trans	-58.4	107.7	175.7	173.1	0	0	0	0	110.5	S187	S185-S187 PolarHBondContact O-N 3.33Å
186	E	28.1	Very low	41.9	Very low	183 Å²	183	148 Å²	148	86%	0.855	75%	0.745	S	S	*	*			trans	-73.1	105.5	168.3	-74.3	-175.7	165.2	0	0	109.2	G184 K188	G184-E186 PolarHBondContact O-N 2.72Å; G184-E186 VanDerWaalsContact O-N 3.13Å; E186-K188 PolarHBondContact O-N 3.12Å
187	S	34.3	Very low	42.7	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	74%	0.737	S	S	*	*			trans	-59.8	112	170.6	177.7	0	0	0	0	109.7	S185 L189	S185-S187 PolarHBondContact O-N 3.33Å; S187-L189 PolarHBondContact O-N 3.5Å
188	K	33.5	Very low	43.7	Very low	206 Å²	206	146.5 Å²	146.5	90%	0.896	74%	0.738	S	S	*	*			trans	-61	98.7	177.3	-71	179.9	175.6	-179.6	0	111	E186	E186-K188 PolarHBondContact O-N 3.12Å
189	L	31.3	Very low	44.8	Very low	155 Å²	155	144.3 Å²	144.3	81%	0.812	73%	0.728	S	S	*	*			trans	-82.4	111.7	162.1	-79.6	149.3	0	0	0	108.4	S187	S187-L189 PolarHBondContact O-N 3.5Å
190	N	36.5	Very low	46	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	72%	0.721	S	S	*	*			trans	172.4	87.3	145.5	-90.8	-6.2	0	0	0	109.1
191	D	50.7	Low	46.8	Very low	95 Å²	95	141 Å²	141	51%	0.508	71%	0.711	S	S	.	*			trans	-101.3	9.4	-178.2	-163.8	37	0	0	0	112.7	R195	D191-R195 PolarHBondContact O-N 3.45Å
192	E	50.8	Low	48.3	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.762	69%	0.686	S	S	*	*	H	α-helix	trans	-71.2	-36.4	-179.3	-70.4	-171.1	158	0	0	112.7	K194 R195 W196	E192-K194 PolarHBondContact O-N 2.92Å; E192-R195 PolarHBondContact O-N 3.45Å; E192-W196 PolarHBondContact O-N 3.22Å
193	G	62	Low	49.8	Very low	49 Å²	49	130.5 Å²	130.5	51%	0.505	67%	0.674	S	S	.	*	H	α-helix	trans	-64.7	-39.2	-179.8	0	0	0	0	0	113.5	W196 E197	G193-W196 PolarHBondContact O-N 2.87Å; G193-E197 PolarHBondContact O-N 2.84Å; G193-E197 VanDerWaalsContact O-N 3.09Å
194	K	57.8	Low	51	Low	145 Å²	145	124.6 Å²	124.6	63%	0.63	66%	0.664	S	S	*	*	H	α-helix	trans	-69.1	-38.6	176.8	-85.2	-173.6	174.3	-177.7	0	112.6	E192 W196 E197 Q198	E192-K194 PolarHBondContact O-N 2.92Å; K194-W196 VanDerWaalsContact C-N 3.34Å; K194-E197 PolarHBondContact O-N 3.33Å; K194-Q198 WeakPolarHBondContact O-CB 3.45Å; K194-Q198 PolarHBondContact O-N 3.23Å
195	R	54.5	Low	52.1	Low	167 Å²	167	127.7 Å²	127.7	63%	0.63	67%	0.665	S	S	*	*	H	α-helix	trans	-63.9	-41.6	175.3	-76.3	-175.7	177.7	-164.2	-2.6	111.5	D191 E192 Q198 E199	D191-R195 PolarHBondContact O-N 3.45Å; E192-R195 PolarHBondContact O-N 3.45Å; R195-Q198 PolarHBondContact O-N 3.04Å; R195-E199 PolarHBondContact O-N 3.49Å
196	W	71.3	Confident	52.6	Low	152 Å²	152	130.3 Å²	130.3	58%	0.576	66%	0.658	S	S	*	*	H	α-helix	trans	-64	-42.7	177.1	-171.6	85.6	0	0	0	112.6	E192 G193 K194 E199 H200	E192-W196 PolarHBondContact O-N 3.22Å; G193-W196 PolarHBondContact O-N 2.87Å; K194-W196 VanDerWaalsContact C-N 3.34Å; W196-E199 PolarHBondContact O-N 2.9Å; W196-H200 AromaticContact CE2-CE1 3.89Å; W196-H200 AromaticContact CE2-ND1 3.86Å; W196-H200 AromaticContact CZ2-CE1 3.58Å; W196-H200 AromaticContact CZ2-ND1 3.86Å; W196-H200 AromaticContact CZ2-NE2 3.92Å; W196-H200 PolarHBondContact O-N 2.8Å
197	E	59.3	Low	53.2	Low	128 Å²	128	126.8 Å²	126.8	60%	0.598	65%	0.653	S	S	*	*	H	α-helix	trans	-63.8	-42.5	174.5	-76.2	-178.1	168.3	0	0	112.3	G193 K194 H200 L201	G193-E197 PolarHBondContact O-N 2.84Å; G193-E197 VanDerWaalsContact O-N 3.09Å; K194-E197 PolarHBondContact O-N 3.33Å; E197-H200 PolarHBondContact O-N 3.43Å; E197-L201 WeakPolarHBondContact O-CB 3.36Å; E197-L201 PolarHBondContact O-N 2.86Å
198	Q	67.1	Low	53.4	Low	143 Å²	143	131.3 Å²	131.3	67%	0.668	66%	0.66	S	S	*	*	H	α-helix	trans	-63.9	-41.5	175.4	-90.5	-175.8	-21.9	0	0	112.4	K194 R195 L201 S202	K194-Q198 WeakPolarHBondContact O-CB 3.45Å; K194-Q198 PolarHBondContact O-N 3.23Å; R195-Q198 PolarHBondContact O-N 3.04Å; Q198-L201 PolarHBondContact O-N 2.78Å; Q198-S202 VanDerWaalsContact O-CB 3.28Å; Q198-S202 WeakPolarHBondContact O-CB 3.37Å; Q198-S202 PolarHBondContact O-N 3.25Å; Q198-S202 PolarHBondContact O-OG 2.96Å
199	E	67	Low	53.6	Low	132 Å²	132	125.4 Å²	125.4	62%	0.617	66%	0.658	S	S	*	*	H	α-helix	trans	-63.7	-43.2	176.3	-85.1	-175.4	162.1	0	0	111.5	R195 W196 S202 S203	R195-E199 PolarHBondContact O-N 3.49Å; W196-E199 PolarHBondContact O-N 2.9Å; E199-S202 WeakPolarHBondContact CA-OG 3.48Å; E199-S202 PolarHBondContact O-N 2.93Å; E199-S202 PolarHBondContact O-OG 3.18Å; E199-S203 WeakPolarHBondContact O-CB 3.3Å; E199-S203 PolarHBondContact O-N 3.26Å
200	H	69	Low	54.1	Low	108 Å²	108	122.2 Å²	122.2	50%	0.5	65%	0.654	S	S	.	*	H	α-helix	trans	-65.4	-42.3	175.9	-100	61.5	0	0	0	112.7	W196 E197 S202 S203 A204	W196-H200 AromaticContact CE2-CE1 3.89Å; W196-H200 AromaticContact CE2-ND1 3.86Å; W196-H200 AromaticContact CZ2-CE1 3.58Å; W196-H200 AromaticContact CZ2-ND1 3.86Å; W196-H200 AromaticContact CZ2-NE2 3.92Å; W196-H200 PolarHBondContact O-N 2.8Å; E197-H200 PolarHBondContact O-N 3.43Å; H200-S202 VanDerWaalsContact C-N 3.31Å; H200-S202 PolarHBondContact O-N 3.49Å; H200-S203 PolarHBondContact O-N 2.96Å; H200-A204 WeakPolarHBondContact O-CB 3.39Å; H200-A204 PolarHBondContact O-N 2.88Å
201	L	57.5	Low	54.4	Low	114 Å²	114	124.4 Å²	124.4	60%	0.597	66%	0.656	S	S	*	*	H	α-helix	trans	-62.7	-42.2	175.6	-157.6	90.4	0	0	0	110.6	E197 Q198 A204 L205	E197-L201 WeakPolarHBondContact O-CB 3.36Å; E197-L201 PolarHBondContact O-N 2.86Å; Q198-L201 PolarHBondContact O-N 2.78Å; L201-A204 PolarHBondContact O-N 2.72Å; L201-L205 HydrophobicContact CD2-CD1 4.13Å; L201-L205 HydrophobicContact CG-CD1 4.09Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 WeakPolarHBondContact O-CD1 3.34Å; L201-L205 WeakPolarHBondContact O-CG 3.12Å; L201-L205 PolarHBondContact O-N 2.84Å
202	S	60.4	Low	53.8	Low	54 Å²	54	127.6 Å²	127.6	38%	0.378	67%	0.673	S	S	.	*	H	α-helix	trans	-65.5	-44.2	177.6	76.3	0	0	0	0	111.9	Q198 E199 H200 A204 L205 Y206	Q198-S202 VanDerWaalsContact O-CB 3.28Å; Q198-S202 WeakPolarHBondContact O-CB 3.37Å; Q198-S202 PolarHBondContact O-N 3.25Å; Q198-S202 PolarHBondContact O-OG 2.96Å; E199-S202 WeakPolarHBondContact CA-OG 3.48Å; E199-S202 PolarHBondContact O-N 2.93Å; E199-S202 PolarHBondContact O-OG 3.18Å; H200-S202 VanDerWaalsContact C-N 3.31Å; H200-S202 PolarHBondContact O-N 3.49Å; S202-A204 VanDerWaalsContact C-N 3.32Å; S202-A204 PolarHBondContact O-N 2.84Å; S202-L205 CarbonylContact O-C 3.51Å; S202-L205 PolarHBondContact O-N 3.26Å; S202-L205 VanDerWaalsContact O-N 3.15Å; S202-Y206 WeakPolarHBondContact O-CD2 3.44Å; S202-Y206 PolarHBondContact O-N 2.97Å
203	S	63.5	Low	53.1	Low	91 Å²	91	128.4 Å²	128.4	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-63.1	-37.2	175.3	-98.1	0	0	0	0	112.3	E199 H200 L205 Y206	E199-S203 WeakPolarHBondContact O-CB 3.3Å; E199-S203 PolarHBondContact O-N 3.26Å; H200-S203 PolarHBondContact O-N 2.96Å; S203-L205 VanDerWaalsContact C-N 3.32Å; S203-Y206 PolarHBondContact O-N 3.17Å
204	A	54.8	Low	51.9	Low	88 Å²	88	132.6 Å²	132.6	73%	0.727	69%	0.69	S	S	*	*	H	α-helix	trans	-70.6	-28.1	175.6	0	0	0	0	0	112.9	H200 L201 S202	H200-A204 WeakPolarHBondContact O-CB 3.39Å; H200-A204 PolarHBondContact O-N 2.88Å; L201-A204 PolarHBondContact O-N 2.72Å; S202-A204 VanDerWaalsContact C-N 3.32Å; S202-A204 PolarHBondContact O-N 2.84Å
205	L	54.5	Low	50.9	Low	130 Å²	130	133.3 Å²	133.3	68%	0.681	70%	0.695	S	S	*	*	H	α-helix	trans	-88.6	-9.9	177.3	-69.8	167.7	0	0	0	113.4	L201 S202 S203 S207	L201-L205 HydrophobicContact CD2-CD1 4.13Å; L201-L205 HydrophobicContact CG-CD1 4.09Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 WeakPolarHBondContact O-CD1 3.34Å; L201-L205 WeakPolarHBondContact O-CG 3.12Å; L201-L205 PolarHBondContact O-N 2.84Å; S202-L205 CarbonylContact O-C 3.51Å; S202-L205 PolarHBondContact O-N 3.26Å; S202-L205 VanDerWaalsContact O-N 3.15Å; S203-L205 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 2.65Å
206	Y	40.3	Very low	50	Low	177 Å²	177	133.8 Å²	133.8	69%	0.694	70%	0.704	S	S	*	*			trans	-71.2	89.9	177.8	-110.8	-85	0	0	0	110.7	S202 S203	S202-Y206 WeakPolarHBondContact O-CD2 3.44Å; S202-Y206 PolarHBondContact O-N 2.97Å; S203-Y206 PolarHBondContact O-N 3.17Å
207	S	40.1	Very low	48.4	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	72%	0.719	S	S	*	*			trans	-87.5	127.2	169.3	77.1	0	0	0	0	110.5	L205 G209	L205-S207 PolarHBondContact O-N 2.65Å; S207-G209 PolarHBondContact O-N 2.95Å
208	F	40.3	Very low	47.2	Very low	196 Å²	196	134.1 Å²	134.1	86%	0.86	72%	0.719	S	S	*	*			trans	-77.7	111.7	172.3	-83.6	-91.4	0	0	0	109.5	A210	F208-A210 PolarHBondContact O-N 2.7Å
209	G	37.7	Very low	45.7	Very low	82 Å²	82	137 Å²	137	85%	0.845	73%	0.729	S	S	*	*			trans	-69.9	90.8	173.3	0	0	0	0	0	111.5	S207	S207-G209 PolarHBondContact O-N 2.95Å
210	A	40.2	Very low	44.5	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	74%	0.736	S	S	*	*			trans	-121.7	31.7	167.7	0	0	0	0	0	111.7	F208	F208-A210 PolarHBondContact O-N 2.7Å
211	K	42.6	Very low	43.4	Very low	202 Å²	202	142.2 Å²	142.2	88%	0.878	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-0.3	-173.2	-93.9	-171.9	174.9	-178.6	0	116.6
212	D	39	Very low	43.1	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	19.4	-178.6	-68.7	-12.1	0	0	0	114.7	V214	D212-V214 PolarHBondContact O-N 3.36Å
213	K	36.2	Very low	42.4	Very low	180 Å²	180	143.4 Å²	143.4	78%	0.783	76%	0.759	S	S	*	*			trans	-92.3	99	164	-107.9	-176.7	176.2	-177.5	0	109.4	E215	K213-E215 VanDerWaalsContact C-N 3.25Å; K213-E215 PolarHBondContact O-N 2.95Å
214	V	37	Very low	42	Very low	138 Å²	138	141.4 Å²	141.4	84%	0.836	74%	0.741	S	S	*	*			trans	-61.8	91.4	162.8	-178.8	0	0	0	0	107.1	D212 Q216	D212-V214 PolarHBondContact O-N 3.36Å; V214-Q216 PolarHBondContact O-N 2.88Å
215	E	37.2	Very low	41.9	Very low	159 Å²	159	144.5 Å²	144.5	74%	0.743	75%	0.745	S	S	*	*			trans	-68.5	114.5	169	-77.2	-172.4	162.4	0	0	107.7	K213 E217	K213-E215 VanDerWaalsContact C-N 3.25Å; K213-E215 PolarHBondContact O-N 2.95Å; E215-E217 PolarHBondContact O-N 3.49Å; E215-E217 VanDerWaalsContact O-N 3.08Å
216	Q	34.8	Very low	42.3	Very low	177 Å²	177	143.8 Å²	143.8	83%	0.827	74%	0.742	S	S	*	*			trans	-59.2	111.7	171.1	-71.7	175.3	-26	0	0	107.7	V214 V218	V214-Q216 PolarHBondContact O-N 2.88Å; Q216-V218 VanDerWaalsContact C-N 3.35Å; Q216-V218 PolarHBondContact O-N 3.01Å
217	E	37.7	Very low	43.6	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	73%	0.732	S	S	*	*			trans	-57.7	93.6	176.1	-73.5	-177.9	156.7	0	0	110	E215 K219	E215-E217 PolarHBondContact O-N 3.49Å; E215-E217 VanDerWaalsContact O-N 3.08Å; E217-K219 PolarHBondContact O-N 2.86Å
218	V	34.8	Very low	45.2	Very low	101 Å²	101	135.8 Å²	135.8	61%	0.612	70%	0.699	S	S	*	*			trans	-79.2	103.3	160.8	-171.4	0	0	0	0	105.9	Q216 Y220	Q216-V218 VanDerWaalsContact C-N 3.35Å; Q216-V218 PolarHBondContact O-N 3.01Å; V218-Y220 VanDerWaalsContact C-N 3.31Å; V218-Y220 HydrophobicContact CB-CD2 4.17Å; V218-Y220 HydrophobicContact CB-CE2 3.94Å; V218-Y220 HydrophobicContact CG1-CD2 3.74Å; V218-Y220 HydrophobicContact CG1-CE2 3.24Å; V218-Y220 PolarHBondContact O-N 3.29Å
219	K	35	Very low	47	Very low	202 Å²	202	132.1 Å²	132.1	88%	0.878	69%	0.685	S	S	*	*			trans	-55	89.3	173.2	-103.6	-175.6	174	-178.1	0	110.3	E217	E217-K219 PolarHBondContact O-N 2.86Å
220	Y	42.1	Very low	49.1	Very low	192 Å²	192	130 Å²	130	75%	0.753	65%	0.652	S	S	*	*			trans	-105.2	121.9	156.3	-67.5	-74.5	0	0	0	106.6	V218 L222	V218-Y220 VanDerWaalsContact C-N 3.31Å; V218-Y220 HydrophobicContact CB-CD2 4.17Å; V218-Y220 HydrophobicContact CB-CE2 3.94Å; V218-Y220 HydrophobicContact CG1-CD2 3.74Å; V218-Y220 HydrophobicContact CG1-CE2 3.24Å; V218-Y220 PolarHBondContact O-N 3.29Å; Y220-L222 PolarHBondContact O-N 3.48Å
221	D	45.4	Very low	50.9	Low	159 Å²	159	130.2 Å²	130.2	85%	0.85	64%	0.64	S	S	*	*			trans	-64.2	121.6	165.7	-92.2	-25.2	0	0	0	107.4	V223	D221-V223 PolarHBondContact O-N 3.15Å
222	L	51	Low	52.7	Low	77 Å²	77	125.7 Å²	125.7	40%	0.403	62%	0.621	S	S	.	*			trans	-68.8	98.9	171.7	-73	166.2	0	0	0	107.4	Y220 L224 V474	Y220-L222 PolarHBondContact O-N 3.48Å; L222-L224 PolarHBondContact O-N 3.12Å; L222-V474 HydrophobicContact CB-CG1 4.31Å; L222-V474 HydrophobicContact CD1-CG1 3.88Å
223	V	46.9	Very low	54.3	Low	116 Å²	116	121 Å²	121	70%	0.703	60%	0.598	S	S	*	*			trans	-74.4	110.9	170.6	-175	0	0	0	0	107.2	D221	D221-V223 PolarHBondContact O-N 3.15Å
224	L	54.8	Low	56.2	Low	49 Å²	49	116.8 Å²	116.8	26%	0.257	58%	0.584	S	S	.	*			trans	-82.7	123.2	168.4	-67.8	165.2	0	0	0	106.8	L222 D226 E227 Q471	L222-L224 PolarHBondContact O-N 3.12Å; L224-D226 PolarHBondContact O-N 3.36Å; L224-D226 VanDerWaalsContact O-N 3.17Å; L224-E227 HydrophobicContact CB-CG 3.96Å; L224-Q471 HydrophobicContact CD1-CB 4.34Å
225	D	52.7	Low	57.8	Low	153 Å²	153	113.8 Å²	113.8	82%	0.818	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	-175.9	-70.2	-34.5	0	0	0	113
226	D	62.3	Low	59.1	Low	115 Å²	115	109.2 Å²	109.2	62%	0.615	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	55.4	-174.3	-60.1	-44.4	0	0	0	112.4	L224 I467	L224-D226 PolarHBondContact O-N 3.36Å; L224-D226 VanDerWaalsContact O-N 3.17Å; D226-I467 HydrophobicContact CB-CD1 4.16Å; D226-I467 WeakPolarHBondContact O-CG2 3.32Å
227	E	68.4	Low	60.5	Low	103 Å²	103	106.1 Å²	106.1	48%	0.481	54%	0.537	S	S	.	.			trans	-72.3	132.6	176.6	-73	-172	-178.2	0	0	112.9	L224	L224-E227 HydrophobicContact CB-CG 3.96Å
228	I	74.2	Confident	61.4	Low	14 Å²	14	98.3 Å²	98.3	7%	0.072	51%	0.507	C	S	.	.			trans	-85.8	123	172.7	-65.6	161.9	0	0	0	108.8	F230 T454 A464 I467 Q471	I228-F230 HydrophobicContact CB-CE2 4.01Å; I228-F230 HydrophobicContact CB-CZ 4.45Å; I228-F230 HydrophobicContact CG2-CD2 4.22Å; I228-F230 HydrophobicContact CG2-CE1 4.34Å; I228-F230 HydrophobicContact CG2-CE2 3.69Å; I228-F230 HydrophobicContact CG2-CZ 3.75Å; I228-F230 WeakPolarHBondContact O-CD2 3.39Å; I228-F230 PolarHBondContact O-N 3.49Å; I228-T454 HydrophobicContact CG2-CG2 3.83Å; I228-A464 VanDerWaalsContact CD1-CA 3.47Å; I228-A464 HydrophobicContact CD1-CB 3.7Å; I228-A464 WeakPolarHBondContact CD1-O 3.24Å; I228-I467 HydrophobicContact CD1-CB 3.73Å; I228-I467 HydrophobicContact CD1-CD1 4.44Å; I228-I467 HydrophobicContact CD1-CG2 3.62Å; I228-I467 HydrophobicContact CG1-CB 4.45Å; I228-I467 HydrophobicContact CG1-CG2 3.86Å; I228-Q471 PolarHBondContact O-OE1 3.3Å
229	E	77.3	Confident	62.4	Low	119 Å²	119	96 Å²	96	56%	0.556	50%	0.498	S	S	*	.			trans	-83.7	114.1	-179	-63.5	-168.6	139	0	0	111.4	K455	E229-K455 HydrophobicContact CB-CD 3.8Å; E229-K455 HydrophobicContact CB-CG 4.3Å; E229-K455 VanDerWaalsContact CD-NZ 3.3Å; E229-K455 PolarHBondContact O-N 2.97Å; E229-K455 IonicContact OE1-NZ 3.45Å; E229-K455 WeakPolarHBondContact OE2-CD 3.39Å; E229-K455 WeakPolarHBondContact OE2-CE 3.44Å; E229-K455 IonicContact OE2-NZ 2.76Å; E229-K455 PolarHBondContact OE2-NZ 3.32Å
230	F	81.7	Confident	62.7	Low	37 Å²	37	92.5 Å²	92.5	16%	0.162	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.8	176.6	-73.7	-75.7	0	0	0	112.2	I228 Y452 Y453 T454 S468 F605 L607	I228-F230 HydrophobicContact CB-CE2 4.01Å; I228-F230 HydrophobicContact CB-CZ 4.45Å; I228-F230 HydrophobicContact CG2-CD2 4.22Å; I228-F230 HydrophobicContact CG2-CE1 4.34Å; I228-F230 HydrophobicContact CG2-CE2 3.69Å; I228-F230 HydrophobicContact CG2-CZ 3.75Å; I228-F230 WeakPolarHBondContact O-CD2 3.39Å; I228-F230 PolarHBondContact O-N 3.49Å; F230-Y452 HydrophobicContact CB-CD1 4.18Å; F230-Y452 HydrophobicContact CB-CG 4.49Å; F230-Y453 WeakPolarHBondContact CA-O 3.22Å; F230-T454 HydrophobicContact CD1-CG2 4.13Å; F230-T454 HydrophobicContact CE1-CG2 3.62Å; F230-T454 HydrophobicContact CZ-CG2 4.22Å; F230-S468 WeakPolarHBondContact CZ-OG 3.47Å; F230-F605 HydrophobicContact CB-CD1 4.25Å; F230-F605 HydrophobicContact CB-CE1 4.44Å; F230-F605 HydrophobicContact CD1-CB 4.28Å; F230-F605 AromaticContact CD1-CD1 3.76Å; F230-F605 HydrophobicContact CD1-CD1 3.76Å; F230-F605 AromaticContact CD2-CD1 3.76Å; F230-F605 HydrophobicContact CD2-CD1 3.76Å; F230-F605 HydrophobicContact CD2-CE1 4.16Å; F230-F605 HydrophobicContact CE1-CB 3.78Å; F230-F605 AromaticContact CE1-CD1 3.99Å; F230-F605 HydrophobicContact CE1-CD1 3.99Å; F230-F605 HydrophobicContact CE1-CG 4.37Å; F230-F605 AromaticContact CE2-CD1 3.98Å; F230-F605 HydrophobicContact CE2-CD1 3.98Å; F230-F605 AromaticContact CG-CD1 3.64Å; F230-F605 HydrophobicContact CG-CD1 3.64Å; F230-F605 HydrophobicContact CG-CE1 4.19Å; F230-F605 HydrophobicContact CZ-CB 3.96Å; F230-F605 HydrophobicContact CZ-CD1 4.09Å; F230-F605 HydrophobicContact CZ-CG 4.4Å; F230-L607 HydrophobicContact CE1-CD2 3.93Å; F230-L607 HydrophobicContact CZ-CD2 3.67Å
231	L	77.5	Confident	62.7	Low	92 Å²	92	87.2 Å²	87.2	48%	0.482	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.2	171.2	-70.4	175	0	0	0	110.2	T233 Y452 Y453 K455	L231-T233 PolarHBondContact O-N 2.9Å; L231-T233 PolarHBondContact O-OG1 3.22Å; L231-Y452 VanDerWaalsContact O-CA 3.27Å; L231-Y452 WeakPolarHBondContact O-CA 3.4Å; L231-Y453 PolarHBondContact N-O 2.96Å; L231-Y453 PolarHBondContact O-N 2.77Å; L231-K455 HydrophobicContact CD1-CG 3.7Å; L231-K455 HydrophobicContact CD2-CG 4.3Å; L231-K455 HydrophobicContact CG-CD 4.35Å; L231-K455 HydrophobicContact CG-CG 3.62Å
232	K	80.7	Confident	62.2	Low	107 Å²	107	88.2 Å²	88.2	47%	0.465	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.5	169.1	-171	175.2	173.2	160.9	0	108.7	T235 D450 Y452	K232-T235 WeakPolarHBondContact CE-OG1 2.94Å; K232-T235 PolarHBondContact NZ-OG1 2.77Å; K232-D450 WeakPolarHBondContact CE-OD1 3.39Å; K232-D450 WeakPolarHBondContact CE-OD2 3.45Å; K232-D450 IonicContact NZ-OD1 2.72Å; K232-D450 PolarHBondContact NZ-OD1 3.38Å; K232-D450 IonicContact NZ-OD2 3.56Å; K232-D450 PolarHBondContact NZ-OD2 3.16Å; K232-Y452 HydrophobicContact CB-CD1 3.77Å; K232-Y452 HydrophobicContact CB-CE1 3.44Å; K232-Y452 VanDerWaalsContact CB-CE1 3.44Å; K232-Y452 HydrophobicContact CD-CE1 4.27Å; K232-Y452 HydrophobicContact CG-CD1 4.39Å; K232-Y452 HydrophobicContact CG-CE1 3.89Å
233	T	72.9	Confident	61.3	Low	64 Å²	64	92.4 Å²	92.4	39%	0.393	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-40.1	-177.5	-49.4	0	0	0	0	112	L231 I451 Y453	L231-T233 PolarHBondContact O-N 2.9Å; L231-T233 PolarHBondContact O-OG1 3.22Å; T233-I451 PolarHBondContact N-O 3.43Å; T233-Y453 HydrophobicContact CG2-CE2 4.36Å; T233-Y453 VanDerWaalsContact OG1-CD2 3.3Å; T233-Y453 WeakPolarHBondContact OG1-CD2 3.35Å
234	L	76.9	Confident	60.4	Low	91 Å²	91	96.7 Å²	96.7	48%	0.476	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147	-171.7	-66.5	166.5	0	0	0	110.7	I451	L234-I451 HydrophobicContact CB-CB 4.49Å; L234-I451 PolarHBondContact O-N 2.95Å
235	T	70.6	Confident	59.3	Low	76 Å²	76	100.2 Å²	100.2	47%	0.466	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.8	167.3	-52.7	0	0	0	0	107.4	K232 P448 D450	K232-T235 WeakPolarHBondContact CE-OG1 2.94Å; K232-T235 PolarHBondContact NZ-OG1 2.77Å; T235-P448 HydrophobicContact CG2-CB 4.18Å; T235-D450 VanDerWaalsContact CG2-OD1 3.25Å; T235-D450 WeakPolarHBondContact CG2-OD1 3.42Å; T235-D450 PolarHBondContact OG1-OD1 2.88Å; T235-D450 VanDerWaalsContact OG1-OD1 3.05Å
236	R	63.1	Low	58.3	Low	62 Å²	62	97.8 Å²	97.8	23%	0.234	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.8	174.2	-69.6	-169.5	172.9	-156.6	-8.7	109.1	P448 V449 I451 D590	R236-P448 WeakPolarHBondContact O-CA 3.3Å; R236-P448 WeakPolarHBondContact O-CB 3.47Å; R236-V449 PolarHBondContact N-O 3.14Å; R236-V449 PolarHBondContact O-N 2.86Å; R236-V449 VanDerWaalsContact O-N 3.15Å; R236-I451 HydrophobicContact CG-CG1 4.48Å; R236-D590 IonicContact CZ-OD1 2.9Å; R236-D590 IonicContact CZ-OD2 3.61Å; R236-D590 VanDerWaalsContact NH1-CG 3.31Å; R236-D590 IonicContact NH1-OD1 3.11Å; R236-D590 IonicContact NH1-OD2 2.6Å; R236-D590 PolarHBondContact NH1-OD2 2.93Å; R236-D590 IonicContact NH2-OD1 3.43Å; R236-D590 PolarHBondContact NH2-OD1 3.18Å; R236-D590 IonicContact NH2-OD2 2.76Å; R236-D590 PolarHBondContact NH2-OD2 2.87Å
237	P	65.4	Low	57	Low	113 Å²	113	96.4 Å²	96.4	73%	0.734	53%	0.525	S	S	*	.			trans	-67.7	145.8	-179.1	26.4	-32.4	0	0	0	111.9
238	G	55.5	Low	55.5	Low	23 Å²	23	98.8 Å²	98.8	24%	0.237	54%	0.542	C	S	.	.			trans	-107.4	155.9	169.7	0	0	0	0	0	111	N240	G238-N240 PolarHBondContact O-N 2.86Å
239	A	55.1	Low	53.6	Low	52 Å²	52	106.8 Å²	106.8	43%	0.43	58%	0.578	S	S	.	*			trans	-82.3	89.2	172.8	0	0	0	0	0	109.1	I241 R445	A239-I241 PolarHBondContact O-N 2.8Å; A239-I241 VanDerWaalsContact O-N 3.09Å; A239-R445 PolarHBondContact N-O 3.28Å
240	N	42.1	Very low	51.7	Low	129 Å²	129	109.8 Å²	109.8	69%	0.69	59%	0.592	S	S	*	*			trans	-54.9	117.8	176.6	-78.9	-8.5	0	0	0	110.3	G238	G238-N240 PolarHBondContact O-N 2.86Å
241	I	42	Very low	49.5	Very low	81 Å²	81	117 Å²	117	42%	0.415	63%	0.627	S	S	.	*			trans	-98.2	99	161.4	-59.2	176.3	0	0	0	104.5	A239 Q243	A239-I241 PolarHBondContact O-N 2.8Å; A239-I241 VanDerWaalsContact O-N 3.09Å; I241-Q243 PolarHBondContact O-N 2.87Å; I241-Q243 VanDerWaalsContact O-N 3.12Å
242	E	34.2	Very low	47.4	Very low	180 Å²	180	122.3 Å²	122.3	84%	0.841	65%	0.646	S	S	*	*			trans	-62.6	110.8	168.1	-70.2	178	178.2	0	0	108.3
243	Q	32.2	Very low	45.5	Very low	165 Å²	165	124.6 Å²	124.6	77%	0.771	65%	0.652	S	S	*	*			trans	-161.9	84.7	156.6	-106	165.9	15.2	0	0	107	I241 V245	I241-Q243 PolarHBondContact O-N 2.87Å; I241-Q243 VanDerWaalsContact O-N 3.12Å; Q243-V245 PolarHBondContact O-N 2.9Å
244	E	28.6	Very low	44.2	Very low	205 Å²	205	131.4 Å²	131.4	96%	0.958	68%	0.676	S	S	*	*			trans	-64.5	109.7	162.8	-74.7	-175.8	158.7	0	0	107.6
245	V	32.4	Very low	42.9	Very low	123 Å²	123	129.5 Å²	129.5	75%	0.745	67%	0.673	S	S	*	*			trans	-91.7	118.8	169.3	-175.8	0	0	0	0	107.2	Q243	Q243-V245 PolarHBondContact O-N 2.9Å
246	S	31.3	Very low	42	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	68%	0.678	S	S	*	*			trans	-64.9	135.8	-176.7	56.5	0	0	0	0	112.4	D248	S246-D248 VanDerWaalsContact C-N 3.31Å; S246-D248 PolarHBondContact O-N 2.86Å
247	A	35.8	Very low	41.8	Very low	85 Å²	85	130 Å²	130	70%	0.702	68%	0.681	S	S	*	*	S	Bend	trans	-79.3	36.8	-165.5	0	0	0	0	0	116.9
248	D	36.5	Very low	41.7	Very low	154 Å²	154	133 Å²	133	82%	0.824	68%	0.678	S	S	*	*			trans	-112.8	11.4	-172.4	-84.1	-21.9	0	0	0	116.7	S246	S246-D248 VanDerWaalsContact C-N 3.31Å; S246-D248 PolarHBondContact O-N 2.86Å
249	E	33.3	Very low	42.1	Very low	181 Å²	181	138 Å²	138	85%	0.846	69%	0.689	S	S	*	*			trans	-119.2	25.4	178.4	-67	-152.5	152.9	0	0	115.6	Q251	E249-Q251 PolarHBondContact O-N 2.98Å
250	E	37.5	Very low	42.7	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	19.5	-166.4	-149.4	173.1	177.2	0	0	117
251	Q	35.6	Very low	44.2	Very low	188 Å²	188	136.1 Å²	136.1	88%	0.879	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	6.1	-170.6	-114.1	177.3	4.3	0	0	121	E249	E249-Q251 PolarHBondContact O-N 2.98Å
252	K	33.6	Very low	45.7	Very low	204 Å²	204	133.8 Å²	133.8	89%	0.887	67%	0.665	S	S	*	*	S	Bend	trans	-139.5	18.5	-172.6	-89.9	-167.7	178.4	-177.6	0	121.3
253	R	40.6	Very low	47.6	Very low	156 Å²	156	129.2 Å²	129.2	59%	0.589	64%	0.643	S	S	*	*			trans	-138.4	128.1	177.3	-60.1	177.2	-174.3	-171.7	5.6	110.1	D257	R253-D257 HydrophobicContact CB-CB 4.47Å; R253-D257 WeakPolarHBondContact CB-OD1 3.5Å; R253-D257 WeakPolarHBondContact CB-OD2 3.35Å; R253-D257 WeakPolarHBondContact CD-OD1 3.49Å
254	K	46.3	Very low	49.6	Very low	207 Å²	207	127.6 Å²	127.6	90%	0.9	64%	0.636	S	S	*	*	S	Bend	trans	-136.6	-9.3	-169.3	-86.7	-170.4	177.8	178.3	0	118.2
255	A	49.9	Very low	51.8	Low	50 Å²	50	119.6 Å²	119.6	41%	0.413	61%	0.605	S	S	.	*	S	Bend	trans	-124	-40.3	170.2	0	0	0	0	0	114.4	E133 D257	E133-A255 WeakPolarHBondContact OE1-CB 3.3Å; A255-D257 PolarHBondContact O-N 3.05Å
256	T	50.4	Low	53.8	Low	93 Å²	93	115.1 Å²	115.1	57%	0.571	58%	0.576	S	S	*	*	H	α-helix	trans	-63.1	-27.9	170.2	33.8	0	0	0	0	112.6	R258 R259 E260	T256-R258 PolarHBondContact O-N 3.43Å; T256-R259 PolarHBondContact O-N 2.92Å; T256-E260 PolarHBondContact O-N 3.15Å
257	D	58.5	Low	56.1	Low	55 Å²	55	117.6 Å²	117.6	29%	0.294	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-33.6	-179.6	-88.7	15.6	0	0	0	114.5	R253 A255 R259 E260 A261	R253-D257 HydrophobicContact CB-CB 4.47Å; R253-D257 WeakPolarHBondContact CB-OD1 3.5Å; R253-D257 WeakPolarHBondContact CB-OD2 3.35Å; R253-D257 WeakPolarHBondContact CD-OD1 3.49Å; A255-D257 PolarHBondContact O-N 3.05Å; D257-R259 VanDerWaalsContact C-N 3.25Å; D257-R259 PolarHBondContact O-N 3.32Å; D257-E260 PolarHBondContact O-N 3.09Å; D257-A261 WeakPolarHBondContact O-CA 3.36Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 2.66Å
258	R	63.3	Low	58.1	Low	177 Å²	177	115.6 Å²	115.6	67%	0.668	55%	0.55	S	S	*	*	H	α-helix	trans	-65.5	-35.7	-174.9	-165.8	175.3	-178.2	176.4	0.3	111.2	T256 L262	T256-R258 PolarHBondContact O-N 3.43Å; R258-L262 HydrophobicContact CG-CD1 4.3Å; R258-L262 VanDerWaalsContact O-CB 3.26Å; R258-L262 WeakPolarHBondContact O-CB 3.49Å; R258-L262 WeakPolarHBondContact O-CD1 3.37Å; R258-L262 WeakPolarHBondContact O-CG 3.27Å; R258-L262 PolarHBondContact O-N 2.96Å
259	R	64.5	Low	60.1	Low	128 Å²	128	109.7 Å²	109.7	48%	0.483	52%	0.518	S	S	.	.	H	α-helix	trans	-70.8	-45	176	-169.6	-176.1	67.8	80	6.3	111	T256 D257 L262 Q263	T256-R259 PolarHBondContact O-N 2.92Å; D257-R259 VanDerWaalsContact C-N 3.25Å; D257-R259 PolarHBondContact O-N 3.32Å; R259-L262 PolarHBondContact O-N 3.11Å; R259-Q263 WeakPolarHBondContact O-CG 3.48Å; R259-Q263 PolarHBondContact O-N 3.02Å
260	E	68.9	Low	62.3	Low	88 Å²	88	101.7 Å²	101.7	41%	0.411	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-46	178.5	-68.4	-171.5	170.5	0	0	111.4	T256 D257 L262 Q263 E264	T256-E260 PolarHBondContact O-N 3.15Å; D257-E260 PolarHBondContact O-N 3.09Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 2.71Å; E260-Q263 CarbonylContact O-C 3.55Å; E260-Q263 PolarHBondContact O-N 3.04Å; E260-Q263 VanDerWaalsContact O-N 3.08Å; E260-E264 WeakPolarHBondContact O-CB 3.48Å; E260-E264 PolarHBondContact O-N 3.37Å
261	A	72.7	Confident	64.5	Low	54 Å²	54	93 Å²	93	45%	0.446	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-38.8	174.1	0	0	0	0	0	112.2	D257 A265	D257-A261 WeakPolarHBondContact O-CA 3.36Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 2.66Å; A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 3.06Å
262	L	72.7	Confident	67	Low	32 Å²	32	88.8 Å²	88.8	17%	0.168	42%	0.418	C	S	.	.	H	α-helix	trans	-65.4	-41.9	172.8	-82.6	164.9	0	0	0	111.7	R258 R259 E260 A265 K266 E338	R258-L262 HydrophobicContact CG-CD1 4.3Å; R258-L262 VanDerWaalsContact O-CB 3.26Å; R258-L262 WeakPolarHBondContact O-CB 3.49Å; R258-L262 WeakPolarHBondContact O-CD1 3.37Å; R258-L262 WeakPolarHBondContact O-CG 3.27Å; R258-L262 PolarHBondContact O-N 2.96Å; R259-L262 PolarHBondContact O-N 3.11Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 2.71Å; L262-A265 PolarHBondContact O-N 3.49Å; L262-K266 WeakPolarHBondContact O-CG 3.39Å; L262-K266 PolarHBondContact O-N 2.91Å; L262-E338 HydrophobicContact CD2-CG 4.35Å
263	Q	74.3	Confident	69.5	Low	83 Å²	83	86 Å²	86	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-37.5	176.8	-74	-166.7	-11.9	0	0	112.4	R259 E260 K266 R267	R259-Q263 WeakPolarHBondContact O-CG 3.48Å; R259-Q263 PolarHBondContact O-N 3.02Å; E260-Q263 CarbonylContact O-C 3.55Å; E260-Q263 PolarHBondContact O-N 3.04Å; E260-Q263 VanDerWaalsContact O-N 3.08Å; Q263-K266 WeakPolarHBondContact O-CB 3.09Å; Q263-K266 PolarHBondContact O-N 3.4Å; Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.39Å
264	E	75.6	Confident	71.8	Confident	131 Å²	131	81.7 Å²	81.7	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-68.8	-40.5	175	-169.7	169.7	-159.6	0	0	111.3	E260 K266 R267 S268	E260-E264 WeakPolarHBondContact O-CB 3.48Å; E260-E264 PolarHBondContact O-N 3.37Å; E264-K266 VanDerWaalsContact C-N 3.3Å; E264-K266 PolarHBondContact O-N 3.18Å; E264-R267 PolarHBondContact O-N 2.94Å; E264-S268 PolarHBondContact O-N 3.43Å; E264-S268 PolarHBondContact O-OG 3.37Å; E264-S268 VanDerWaalsContact O-OG 3.13Å
265	A	73.5	Confident	73.9	Confident	37 Å²	37	75.3 Å²	75.3	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-41.1	170.3	0	0	0	0	0	111.6	A261 L262 S268 L269	A261-A265 WeakPolarHBondContact O-CB 3.34Å; A261-A265 PolarHBondContact O-N 3.06Å; L262-A265 PolarHBondContact O-N 3.49Å; A265-S268 WeakPolarHBondContact CA-OG 3.4Å; A265-S268 PolarHBondContact O-OG 3.5Å; A265-L269 WeakPolarHBondContact O-CG 3.37Å
266	K	76.2	Confident	75.9	Confident	30 Å²	30	78.4 Å²	78.4	13%	0.13	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-48.1	173.2	-74.6	177.1	171.4	-173.4	0	112	L262 Q263 E264 S268 L269 E338	L262-K266 WeakPolarHBondContact O-CG 3.39Å; L262-K266 PolarHBondContact O-N 2.91Å; Q263-K266 WeakPolarHBondContact O-CB 3.09Å; Q263-K266 PolarHBondContact O-N 3.4Å; E264-K266 VanDerWaalsContact C-N 3.3Å; E264-K266 PolarHBondContact O-N 3.18Å; K266-S268 VanDerWaalsContact C-N 3.26Å; K266-S268 PolarHBondContact O-N 3.48Å; K266-L269 WeakPolarHBondContact O-CB 3.43Å; K266-L269 PolarHBondContact O-N 2.85Å; K266-L269 VanDerWaalsContact O-N 3.13Å; K266-E338 VanDerWaalsContact CE-CB 3.41Å; K266-E338 VanDerWaalsContact CE-CG 3.48Å; K266-E338 WeakPolarHBondContact CE-OE2 3.5Å; K266-E338 PolarHBondContact NZ-O 2.8Å; K266-E338 IonicContact NZ-OE2 3.67Å
267	R	77.6	Confident	78	Confident	154 Å²	154	76.4 Å²	76.4	58%	0.581	37%	0.365	S	S	*	.	H	α-helix	trans	-64.6	-29.6	-178.6	-73	176.2	-179	178	2.7	113.2	Q263 E264 L269 Y272	Q263-R267 WeakPolarHBondContact O-CG 3.44Å; Q263-R267 PolarHBondContact O-N 3.39Å; E264-R267 PolarHBondContact O-N 2.94Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 3.5Å; R267-Y272 HydrophobicContact CB-CD1 4.37Å; R267-Y272 HydrophobicContact CB-CE1 4.28Å; R267-Y272 HydrophobicContact CG-CE1 4.02Å; R267-Y272 HydrophobicContact CG-CE2 4.06Å; R267-Y272 WeakPolarHBondContact O-CD1 3.28Å
268	S	78.1	Confident	79.7	Confident	44 Å²	44	73.9 Å²	73.9	31%	0.308	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11	176.9	58.7	0	0	0	0	113.7	E264 A265 K266 R446	E264-S268 PolarHBondContact O-N 3.43Å; E264-S268 PolarHBondContact O-OG 3.37Å; E264-S268 VanDerWaalsContact O-OG 3.13Å; A265-S268 WeakPolarHBondContact CA-OG 3.4Å; A265-S268 PolarHBondContact O-OG 3.5Å; K266-S268 VanDerWaalsContact C-N 3.26Å; K266-S268 PolarHBondContact O-N 3.48Å; S268-R446 PolarHBondContact O-NE 3.22Å; S268-R446 PolarHBondContact O-NH2 3.01Å; S268-R446 PolarHBondContact OG-NH1 2.94Å; S268-R446 PolarHBondContact OG-NH2 3.35Å
269	L	79.3	Confident	81.2	Confident	30 Å²	30	66.9 Å²	66.9	16%	0.157	33%	0.327	C	S	.	.	S	Bend	trans	-68.4	140.3	179.8	-70	167.6	0	0	0	111.3	A265 K266 R267 I271 Y272 Q301 R446	A265-L269 WeakPolarHBondContact O-CG 3.37Å; K266-L269 WeakPolarHBondContact O-CB 3.43Å; K266-L269 PolarHBondContact O-N 2.85Å; K266-L269 VanDerWaalsContact O-N 3.13Å; R267-L269 VanDerWaalsContact C-N 3.29Å; R267-L269 PolarHBondContact O-N 3.5Å; L269-I271 HydrophobicContact CB-CG2 4.23Å; L269-I271 PolarHBondContact O-N 3.39Å; L269-Y272 VanDerWaalsContact O-CB 3.27Å; L269-Y272 WeakPolarHBondContact O-CB 3.1Å; L269-Y272 PolarHBondContact O-N 3.3Å; L269-Q301 HydrophobicContact CD1-CG 3.63Å; L269-R446 VanDerWaalsContact N-NH2 3.11Å
270	P	78.7	Confident	82.7	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.084	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-52.5	-39.9	179.2	-28.7	35	0	0	0	113.8	Y272 K273 F274 R446	P270-Y272 PolarHBondContact O-N 3.3Å; P270-K273 PolarHBondContact O-N 2.92Å; P270-F274 WeakPolarHBondContact O-CD2 3.36Å; P270-R446 HydrophobicContact CG-CG 4.34Å
271	I	85.2	Confident	83.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.6	-179.1	-162.7	166.8	0	0	0	113.7	L269 K273 F274 R275 L278 S296 K298 Q301 I302 Y305 I442	L269-I271 HydrophobicContact CB-CG2 4.23Å; L269-I271 PolarHBondContact O-N 3.39Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 3.31Å; I271-F274 CarbonylContact O-C 3.55Å; I271-F274 WeakPolarHBondContact O-CA 3.26Å; I271-F274 PolarHBondContact O-N 2.92Å; I271-R275 PolarHBondContact O-N 2.92Å; I271-L278 HydrophobicContact CD1-CD2 4.13Å; I271-L278 HydrophobicContact CG1-CD2 4.41Å; I271-S296 VanDerWaalsContact CB-O 3.31Å; I271-S296 WeakPolarHBondContact CB-O 3.31Å; I271-S296 VanDerWaalsContact CG2-O 3.27Å; I271-S296 WeakPolarHBondContact CG2-O 3.34Å; I271-S296 PolarHBondContact N-O 3.39Å; I271-K298 HydrophobicContact CD1-CG 4.23Å; I271-Q301 HydrophobicContact CG2-CB 3.85Å; I271-Q301 HydrophobicContact CG2-CG 3.81Å; I271-I302 HydrophobicContact CD1-CD1 3.91Å; I271-I302 HydrophobicContact CD1-CG1 3.49Å; I271-I302 VanDerWaalsContact CD1-CG1 3.49Å; I271-Y305 HydrophobicContact CG1-CE2 4.37Å; I271-Y305 HydrophobicContact CG2-CE2 4.42Å; I271-I442 HydrophobicContact CD1-CD1 3.71Å; I271-I442 HydrophobicContact CG1-CD1 3.85Å
272	Y	86.3	Confident	85	Confident	98 Å²	98	59.8 Å²	59.8	38%	0.384	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.5	-39.3	-176.9	-174.6	-102.3	0	0	0	111.9	R267 L269 P270 F274 R275	R267-Y272 HydrophobicContact CB-CD1 4.37Å; R267-Y272 HydrophobicContact CB-CE1 4.28Å; R267-Y272 HydrophobicContact CG-CE1 4.02Å; R267-Y272 HydrophobicContact CG-CE2 4.06Å; R267-Y272 WeakPolarHBondContact O-CD1 3.28Å; L269-Y272 VanDerWaalsContact O-CB 3.27Å; L269-Y272 WeakPolarHBondContact O-CB 3.1Å; L269-Y272 PolarHBondContact O-N 3.3Å; P270-Y272 PolarHBondContact O-N 3.3Å; Y272-F274 PolarHBondContact O-N 3.18Å; Y272-R275 WeakPolarHBondContact O-CB 3.42Å; Y272-R275 PolarHBondContact O-N 3.49Å
273	K	86.3	Confident	86	Confident	146 Å²	146	60.6 Å²	60.6	64%	0.635	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.7	176.6	-64.8	-177.3	179.8	-179.3	0	113.1	P270 I271	P270-K273 PolarHBondContact O-N 2.92Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 3.31Å
274	F	88.9	Confident	87	Confident	65 Å²	65	61.5 Å²	61.5	29%	0.285	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-105.5	5.9	-176.9	-62.3	-80.2	0	0	0	112.6	P270 I271 Y272 D276 A277 L278 F440 I442 P443	P270-F274 WeakPolarHBondContact O-CD2 3.36Å; I271-F274 CarbonylContact O-C 3.55Å; I271-F274 WeakPolarHBondContact O-CA 3.26Å; I271-F274 PolarHBondContact O-N 2.92Å; Y272-F274 PolarHBondContact O-N 3.18Å; F274-D276 PolarHBondContact O-N 2.92Å; F274-A277 PolarHBondContact O-N 3.43Å; F274-L278 WeakPolarHBondContact O-CB 3.41Å; F274-L278 PolarHBondContact O-N 2.87Å; F274-F440 HydrophobicContact CB-CE1 4.03Å; F274-F440 HydrophobicContact CB-CZ 4.01Å; F274-F440 HydrophobicContact CD1-CZ 4.33Å; F274-F440 HydrophobicContact CG-CE1 4.49Å; F274-I442 HydrophobicContact CD2-CG2 4.36Å; F274-P443 HydrophobicContact CE2-CG 3.81Å; F274-P443 HydrophobicContact CZ-CG 3.64Å
275	R	90.6	Very high	87.9	Confident	73 Å²	73	59 Å²	59	28%	0.275	30%	0.299	S	S	.	.	H	α-helix	trans	-51	-55.1	-175.8	175.1	176.7	179.1	-97.6	7.9	112.6	I271 Y272 L278 L279 Y305 E308	I271-R275 PolarHBondContact O-N 2.92Å; Y272-R275 WeakPolarHBondContact O-CB 3.42Å; Y272-R275 PolarHBondContact O-N 3.49Å; R275-L278 PolarHBondContact O-N 3.46Å; R275-L279 HydrophobicContact CG-CD1 4.27Å; R275-L279 WeakPolarHBondContact O-CG 3.45Å; R275-L279 PolarHBondContact O-N 3.22Å; R275-Y305 HydrophobicContact CB-CD2 4.23Å; R275-Y305 HydrophobicContact CB-CE2 3.88Å; R275-Y305 HydrophobicContact CG-CD1 4.07Å; R275-Y305 HydrophobicContact CG-CD2 3.8Å; R275-Y305 HydrophobicContact CG-CE1 4.14Å; R275-Y305 HydrophobicContact CG-CE2 3.85Å; R275-Y305 HydrophobicContact CG-CG 3.92Å; R275-E308 IonicContact CZ-OE2 3.52Å; R275-E308 IonicContact NE-OE2 3.4Å; R275-E308 IonicContact NH2-OE2 2.78Å; R275-E308 PolarHBondContact NH2-OE2 3.44Å
276	D	93.3	Very high	88.9	Confident	115 Å²	115	60.1 Å²	60.1	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-71.9	-38.6	-174.2	-57.4	-30.4	0	0	0	111.5	F274 L278 L279 Q280	F274-D276 PolarHBondContact O-N 2.92Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 3.49Å; D276-L279 PolarHBondContact O-N 3.39Å; D276-Q280 WeakPolarHBondContact O-CB 3.4Å; D276-Q280 PolarHBondContact O-N 3.42Å
277	A	93.7	Very high	89.9	Confident	52 Å²	52	59.9 Å²	59.9	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-37.6	174.4	0	0	0	0	0	112.3	F274 A281 F440	F274-A277 PolarHBondContact O-N 3.43Å; A277-A281 WeakPolarHBondContact O-CB 3.44Å; A277-A281 PolarHBondContact O-N 3.37Å; A277-F440 HydrophobicContact CB-CE2 4.29Å; A277-F440 HydrophobicContact CB-CZ 4.18Å
278	L	93.7	Very high	90.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-48.2	176.1	177.2	64.9	0	0	0	110.7	I271 F274 R275 D276 Q280 A281 I282 L288 I290 I302 F440	I271-L278 HydrophobicContact CD1-CD2 4.13Å; I271-L278 HydrophobicContact CG1-CD2 4.41Å; F274-L278 WeakPolarHBondContact O-CB 3.41Å; F274-L278 PolarHBondContact O-N 2.87Å; R275-L278 PolarHBondContact O-N 3.46Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 3.49Å; L278-Q280 VanDerWaalsContact C-N 3.26Å; L278-Q280 PolarHBondContact O-N 3.19Å; L278-A281 PolarHBondContact O-N 3.16Å; L278-A281 VanDerWaalsContact O-N 3.17Å; L278-I282 HydrophobicContact CD1-CD1 3.95Å; L278-I282 HydrophobicContact CD1-CG1 4.23Å; L278-I282 HydrophobicContact CD2-CD1 4.47Å; L278-I282 HydrophobicContact CG-CD1 3.78Å; L278-I282 HydrophobicContact CG-CG1 4.45Å; L278-I282 WeakPolarHBondContact O-CG1 3.24Å; L278-I282 PolarHBondContact O-N 2.79Å; L278-L288 HydrophobicContact CD1-CD2 3.93Å; L278-I290 HydrophobicContact CD1-CD1 3.97Å; L278-I290 HydrophobicContact CD1-CG1 4.44Å; L278-I302 HydrophobicContact CD2-CD1 4.37Å; L278-I302 HydrophobicContact CD2-CG1 3.92Å; L278-F440 HydrophobicContact CB-CE1 4.16Å; L278-F440 HydrophobicContact CB-CZ 4.03Å; L278-F440 HydrophobicContact CD1-CD1 3.89Å; L278-F440 HydrophobicContact CD1-CE1 4.11Å; L278-F440 HydrophobicContact CD1-CG 4.11Å; L278-F440 HydrophobicContact CD1-CZ 4.5Å
279	L	95.3	Very high	91.5	Very high	30 Å²	30	50.6 Å²	50.6	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-39.4	176.7	-73.9	175.3	0	0	0	111.7	R275 D276 I282 A283 A309	R275-L279 HydrophobicContact CG-CD1 4.27Å; R275-L279 WeakPolarHBondContact O-CG 3.45Å; R275-L279 PolarHBondContact O-N 3.22Å; D276-L279 PolarHBondContact O-N 3.39Å; L279-I282 PolarHBondContact O-N 3.23Å; L279-A283 WeakPolarHBondContact O-CB 3.24Å; L279-A283 PolarHBondContact O-N 3.38Å; L279-A309 HydrophobicContact CD1-CB 4.3Å; L279-A309 HydrophobicContact CD2-CB 3.84Å
280	Q	95	Very high	92.2	Very high	107 Å²	107	49.1 Å²	49.1	50%	0.5	25%	0.25	S	C	.	.	H	α-helix	trans	-63.3	-47	173.7	-172.8	58.9	43.7	0	0	111.6	D276 L278 I282 A283 D284	D276-Q280 WeakPolarHBondContact O-CB 3.4Å; D276-Q280 PolarHBondContact O-N 3.42Å; L278-Q280 VanDerWaalsContact C-N 3.26Å; L278-Q280 PolarHBondContact O-N 3.19Å; Q280-I282 VanDerWaalsContact C-N 3.3Å; Q280-I282 PolarHBondContact O-N 3.31Å; Q280-A283 WeakPolarHBondContact O-CB 3.44Å; Q280-A283 PolarHBondContact O-N 3.19Å; Q280-A283 VanDerWaalsContact O-N 3.11Å; Q280-D284 VanDerWaalsContact NE2-CG 3.27Å; Q280-D284 PolarHBondContact NE2-OD1 2.85Å; Q280-D284 PolarHBondContact NE2-OD2 3.43Å; Q280-D284 VanDerWaalsContact O-CG 3.26Å; Q280-D284 PolarHBondContact O-N 2.99Å
281	A	94.7	Very high	92.7	Very high	14 Å²	14	49.6 Å²	49.6	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-39.5	177.4	0	0	0	0	0	112.5	A277 L278 D284 H285 L288 F440	A277-A281 WeakPolarHBondContact O-CB 3.44Å; A277-A281 PolarHBondContact O-N 3.37Å; L278-A281 PolarHBondContact O-N 3.16Å; L278-A281 VanDerWaalsContact O-N 3.17Å; A281-D284 PolarHBondContact O-N 2.79Å; A281-H285 WeakPolarHBondContact O-CB 3.19Å; A281-H285 PolarHBondContact O-N 3.18Å; A281-H285 PolarHBondContact O-ND1 2.97Å; A281-L288 HydrophobicContact CB-CD1 4.35Å; A281-L288 HydrophobicContact CB-CD2 4.02Å; A281-F440 HydrophobicContact CB-CD2 3.94Å; A281-F440 HydrophobicContact CB-CE2 4.26Å
282	I	95.2	Very high	92.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-34.3	176.2	-63	165.9	0	0	0	111.3	L278 L279 Q280 L288 L306 K417 L419	L278-I282 HydrophobicContact CD1-CD1 3.95Å; L278-I282 HydrophobicContact CD1-CG1 4.23Å; L278-I282 HydrophobicContact CD2-CD1 4.47Å; L278-I282 HydrophobicContact CG-CD1 3.78Å; L278-I282 HydrophobicContact CG-CG1 4.45Å; L278-I282 WeakPolarHBondContact O-CG1 3.24Å; L278-I282 PolarHBondContact O-N 2.79Å; L279-I282 PolarHBondContact O-N 3.23Å; Q280-I282 VanDerWaalsContact C-N 3.3Å; Q280-I282 PolarHBondContact O-N 3.31Å; I282-L288 HydrophobicContact CG1-CD2 3.71Å; I282-L306 HydrophobicContact CD1-CD2 4.02Å; I282-L306 HydrophobicContact CG2-CD2 4.03Å; I282-K417 HydrophobicContact CG2-CB 4.48Å; I282-K417 HydrophobicContact CG2-CG 4.34Å; I282-K417 WeakPolarHBondContact O-CD 3.19Å; I282-K417 WeakPolarHBondContact O-CE 3.39Å; I282-K417 PolarHBondContact O-NZ 3.18Å; I282-L419 HydrophobicContact CD1-CD1 3.83Å; I282-L419 HydrophobicContact CD1-CD2 4.25Å; I282-L419 HydrophobicContact CG1-CD1 4.33Å; I282-L419 HydrophobicContact CG1-CD2 3.83Å; I282-L419 HydrophobicContact CG2-CD2 4.24Å
283	A	94.1	Very high	92.1	Very high	49 Å²	49	47.9 Å²	47.9	41%	0.405	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-46.9	173.5	0	0	0	0	0	110.8	L279 Q280 K417	L279-A283 WeakPolarHBondContact O-CB 3.24Å; L279-A283 PolarHBondContact O-N 3.38Å; Q280-A283 WeakPolarHBondContact O-CB 3.44Å; Q280-A283 PolarHBondContact O-N 3.19Å; Q280-A283 VanDerWaalsContact O-N 3.11Å; A283-K417 PolarHBondContact O-NZ 2.8Å
284	D	94.8	Very high	91.4	Very high	101 Å²	101	41.6 Å²	41.6	54%	0.54	22%	0.221	S	C	.	.	H	α-helix	trans	-73	-31.2	-174.1	-66.5	-23.2	0	0	0	113.6	Q280 A281	Q280-D284 VanDerWaalsContact NE2-CG 3.27Å; Q280-D284 PolarHBondContact NE2-OD1 2.85Å; Q280-D284 PolarHBondContact NE2-OD2 3.43Å; Q280-D284 VanDerWaalsContact O-CG 3.26Å; Q280-D284 PolarHBondContact O-N 2.99Å; A281-D284 PolarHBondContact O-N 2.79Å
285	H	94.6	Very high	90.6	Very high	79 Å²	79	40.1 Å²	40.1	37%	0.366	23%	0.225	S	C	.	.			trans	-118.4	139.9	-174.6	-51.8	86	0	0	0	110.9	A281 K417 P438	A281-H285 WeakPolarHBondContact O-CB 3.19Å; A281-H285 PolarHBondContact O-N 3.18Å; A281-H285 PolarHBondContact O-ND1 2.97Å; H285-K417 PolarHBondContact O-NZ 3Å; H285-P438 HydrophobicContact CB-CG 4.03Å; H285-P438 VanDerWaalsContact CD2-CG 3.48Å; H285-P438 WeakPolarHBondContact CD2-CG 3.35Å
286	Q	95.3	Very high	89.9	Confident	61 Å²	61	36.7 Å²	36.7	29%	0.285	21%	0.211	S	C	.	.	S	Bend	trans	-73.6	-45.4	176.8	-170.1	-172.5	1.3	0	0	111.4	A410 R413 L416 K417 L418	Q286-A410 PolarHBondContact NE2-O 3.4Å; Q286-R413 PolarHBondContact NE2-O 3.32Å; Q286-L416 WeakPolarHBondContact CG-O 3.29Å; Q286-L416 PolarHBondContact NE2-O 2.79Å; Q286-K417 WeakPolarHBondContact O-CA 3.33Å; Q286-L418 PolarHBondContact O-N 2.95Å
287	V	96.4	Very high	89.4	Confident	24 Å²	24	31.6 Å²	31.6	15%	0.145	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.1	177	-170.3	0	0	0	0	108.8	L418 F434 A437	V287-L418 VanDerWaalsContact CA-O 3.29Å; V287-L418 WeakPolarHBondContact CA-O 3.22Å; V287-L418 HydrophobicContact CG1-CB 4.33Å; V287-L418 HydrophobicContact CG1-CD2 4.1Å; V287-L418 HydrophobicContact CG1-CG 4.27Å; V287-L418 HydrophobicContact CG2-CB 4.23Å; V287-L418 HydrophobicContact CG2-CD2 4.33Å; V287-F434 HydrophobicContact CG1-CB 3.96Å; V287-F434 HydrophobicContact CG1-CD1 4.2Å; V287-F434 HydrophobicContact CG1-CG 4.15Å; V287-A437 HydrophobicContact CB-CB 4.09Å; V287-A437 HydrophobicContact CG1-CB 3.93Å
288	L	95.9	Very high	89.1	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.8	178.9	-171	70.4	0	0	0	110.2	L278 A281 I282 I290 L418 L419 I420 P438 F440	L278-L288 HydrophobicContact CD1-CD2 3.93Å; A281-L288 HydrophobicContact CB-CD1 4.35Å; A281-L288 HydrophobicContact CB-CD2 4.02Å; I282-L288 HydrophobicContact CG1-CD2 3.71Å; L288-I290 HydrophobicContact CD2-CD1 4.4Å; L288-I290 HydrophobicContact CD2-CG1 4.13Å; L288-I290 HydrophobicContact CG-CG1 4.23Å; L288-L418 PolarHBondContact N-O 2.8Å; L288-L419 HydrophobicContact CB-CD2 3.79Å; L288-L419 HydrophobicContact CD2-CD2 4.43Å; L288-L419 WeakPolarHBondContact O-CA 3.45Å; L288-I420 PolarHBondContact O-N 3.27Å; L288-P438 HydrophobicContact CD1-CB 4.28Å; L288-P438 HydrophobicContact CD1-CG 3.86Å; L288-F440 HydrophobicContact CD1-CB 4.12Å; L288-F440 HydrophobicContact CD2-CB 4.1Å; L288-F440 HydrophobicContact CG-CB 4.19Å
289	I	95.1	Very high	88.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.6	172.7	-49.2	-53.9	0	0	0	107.8	I420 A427 F430 A431 F434 A437 P438 V439 F440	I289-I420 CarbonylContact C-O 3.52Å; I289-I420 WeakPolarHBondContact CA-O 3.41Å; I289-I420 HydrophobicContact CD1-CB 3.68Å; I289-I420 HydrophobicContact CD1-CG1 3.85Å; I289-I420 HydrophobicContact CD1-CG2 4.33Å; I289-A427 HydrophobicContact CG2-CB 4.29Å; I289-F430 HydrophobicContact CD1-CB 4.06Å; I289-F430 HydrophobicContact CG1-CB 4.35Å; I289-F430 HydrophobicContact CG2-CB 3.99Å; I289-A431 HydrophobicContact CG1-CB 4.3Å; I289-F434 HydrophobicContact CD1-CB 4.33Å; I289-F434 HydrophobicContact CD1-CD2 3.89Å; I289-F434 HydrophobicContact CD1-CG 4.39Å; I289-A437 HydrophobicContact CD1-CB 4.26Å; I289-A437 HydrophobicContact CG1-CB 4.04Å; I289-P438 PolarHBondContact N-O 3.31Å; I289-V439 HydrophobicContact CB-CG2 4.17Å; I289-V439 HydrophobicContact CG2-CG2 4.46Å; I289-V439 CarbonylContact O-C 3.52Å; I289-V439 WeakPolarHBondContact O-CA 3.21Å; I289-F440 PolarHBondContact O-N 3.45Å
290	I	92.7	Very high	88.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	104.5	-178.5	-55.1	176.9	0	0	0	108.5	L278 L288 K298 I302 L419 I420 S421 S422 I442	L278-I290 HydrophobicContact CD1-CD1 3.97Å; L278-I290 HydrophobicContact CD1-CG1 4.44Å; L288-I290 HydrophobicContact CD2-CD1 4.4Å; L288-I290 HydrophobicContact CD2-CG1 4.13Å; L288-I290 HydrophobicContact CG-CG1 4.23Å; I290-K298 HydrophobicContact CG2-CD 3.96Å; I290-K298 HydrophobicContact CG2-CG 4.5Å; I290-I302 HydrophobicContact CD1-CD1 3.78Å; I290-I302 HydrophobicContact CG2-CD1 4.29Å; I290-L419 HydrophobicContact CD1-CB 4.19Å; I290-L419 HydrophobicContact CD1-CD1 4.16Å; I290-L419 HydrophobicContact CD1-CD2 4.47Å; I290-I420 PolarHBondContact N-O 2.78Å; I290-S421 WeakPolarHBondContact O-CA 3.2Å; I290-S421 PolarHBondContact O-OG 2.71Å; I290-S422 PolarHBondContact O-N 3.14Å; I290-I442 HydrophobicContact CG2-CD1 3.59Å; I290-I442 HydrophobicContact CG2-CG1 4.39Å
291	E	89.1	Confident	88.5	Confident	23 Å²	23	25.5 Å²	25.5	11%	0.107	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.3	174.8	-172.6	-172.1	-176	0	0	109.4	S422 A427 V439 F440 R441 I442	E291-S422 WeakPolarHBondContact CA-O 3.35Å; E291-A427 HydrophobicContact CB-CB 4.05Å; E291-A427 HydrophobicContact CG-CB 4.17Å; E291-V439 HydrophobicContact CB-CG1 4.04Å; E291-F440 PolarHBondContact N-O 2.98Å; E291-R441 HydrophobicContact CB-CG 4.36Å; E291-R441 CarbonylContact O-C 3.49Å; E291-R441 WeakPolarHBondContact O-CA 3.02Å; E291-R441 IonicContact OE1-NH1 3.96Å; E291-R441 PolarHBondContact OE1-NH1 2.95Å; E291-R441 VanDerWaalsContact OE2-CD 3.29Å; E291-R441 WeakPolarHBondContact OE2-CD 3.41Å; E291-R441 WeakPolarHBondContact OE2-CG 3.1Å; E291-R441 IonicContact OE2-CZ 3.83Å; E291-R441 IonicContact OE2-NE 2.8Å; E291-R441 PolarHBondContact OE2-NE 3.04Å; E291-R441 IonicContact OE2-NH1 3.75Å; E291-R441 PolarHBondContact OE2-NH1 2.91Å; E291-I442 PolarHBondContact O-N 2.9Å
292	G	83.8	Confident	88.5	Confident	4 Å²	4	25 Å²	25	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	147.4	168.6	0	0	0	0	0	112.6	K298 S422 A423 I442	G292-K298 VanDerWaalsContact O-CE 3.3Å; G292-K298 WeakPolarHBondContact O-CE 3.17Å; G292-K298 PolarHBondContact O-NZ 3.23Å; G292-S422 PolarHBondContact N-O 3.26Å; G292-A423 VanDerWaalsContact O-CA 3.24Å; G292-A423 WeakPolarHBondContact O-CA 3.42Å; G292-A423 WeakPolarHBondContact O-CB 3.37Å; G292-I442 WeakPolarHBondContact CA-O 3.48Å
293	E	74.9	Confident	88.5	Confident	58 Å²	58	25 Å²	25	27%	0.271	15%	0.147	S	C	.	.			trans	-62	164.8	-176.6	-62.5	-166.6	104.3	0	0	113.1	S296 K298 R445	E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.49Å; E293-S296 PolarHBondContact O-OG 2.95Å; E293-K298 PolarHBondContact O-NZ 3.37Å; E293-K298 VanDerWaalsContact O-NZ 3.12Å; E293-R445 IonicContact OE1-CZ 3.71Å; E293-R445 IonicContact OE1-NE 3.57Å; E293-R445 PolarHBondContact OE1-NE 2.73Å; E293-R445 IonicContact OE1-NH2 3.32Å; E293-R445 PolarHBondContact OE1-NH2 2.51Å; E293-R445 VanDerWaalsContact OE2-CG 3.24Å; E293-R445 WeakPolarHBondContact OE2-CG 3.33Å; E293-R445 PolarHBondContact OE2-N 3.36Å; E293-R445 IonicContact OE2-NE 3.09Å
294	T	71.9	Confident	88.6	Confident	14 Å²	14	22.9 Å²	22.9	9%	0.086	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	141.2	177.3	72.4	0	0	0	0	111	S296 A423 G594 R595 R598	T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 3.43Å; T294-A423 HydrophobicContact CG2-CB 4.1Å; T294-G594 PolarHBondContact OG1-O 2.91Å; T294-R595 VanDerWaalsContact CG2-NH2 3.35Å; T294-R598 VanDerWaalsContact CB-NH2 3.33Å; T294-R598 PolarHBondContact OG1-NH2 2.93Å
295	G	71.6	Confident	88.6	Confident	34 Å²	34	18.4 Å²	18.4	35%	0.351	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	0.9	-176.9	0	0	0	0	0	115.6	G297	G295-G297 PolarHBondContact O-N 2.82Å
296	S	77.4	Confident	88.7	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-65.9	-18.7	172.4	47.2	0	0	0	0	114.2	I271 E293 T294 K298	I271-S296 VanDerWaalsContact CB-O 3.31Å; I271-S296 WeakPolarHBondContact CB-O 3.31Å; I271-S296 VanDerWaalsContact CG2-O 3.27Å; I271-S296 WeakPolarHBondContact CG2-O 3.34Å; I271-S296 PolarHBondContact N-O 3.39Å; E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.49Å; E293-S296 PolarHBondContact O-OG 2.95Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 3.43Å; S296-K298 WeakPolarHBondContact OG-CG 3.43Å; S296-K298 PolarHBondContact OG-NZ 3.45Å
297	G	81.8	Confident	88.6	Confident	9 Å²	9	16.1 Å²	16.1	9%	0.093	9%	0.09	C	C	.	.	S	Bend	trans	101.4	4.1	179.1	0	0	0	0	0	115.5	G295 T299 T300 Q301	G295-G297 PolarHBondContact O-N 2.82Å; G297-T299 PolarHBondContact O-N 3.37Å; G297-T300 PolarHBondContact O-N 3.18Å; G297-T300 PolarHBondContact O-OG1 2.86Å; G297-Q301 VanDerWaalsContact O-CB 3.25Å; G297-Q301 WeakPolarHBondContact O-CB 3.25Å; G297-Q301 VanDerWaalsContact O-CG 3.32Å; G297-Q301 WeakPolarHBondContact O-CG 3.11Å; G297-Q301 PolarHBondContact O-N 2.89Å
298	K	87.6	Confident	88.5	Confident	10 Å²	10	19.9 Å²	19.9	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-49.8	-59.7	-176.6	-61.3	-177	-47.2	-64.7	0	113.4	I271 I290 G292 E293 S296 T300 I302 S421 I442	I271-K298 HydrophobicContact CD1-CG 4.23Å; I290-K298 HydrophobicContact CG2-CD 3.96Å; I290-K298 HydrophobicContact CG2-CG 4.5Å; G292-K298 VanDerWaalsContact O-CE 3.3Å; G292-K298 WeakPolarHBondContact O-CE 3.17Å; G292-K298 PolarHBondContact O-NZ 3.23Å; E293-K298 PolarHBondContact O-NZ 3.37Å; E293-K298 VanDerWaalsContact O-NZ 3.12Å; S296-K298 WeakPolarHBondContact OG-CG 3.43Å; S296-K298 PolarHBondContact OG-NZ 3.45Å; K298-T300 VanDerWaalsContact C-N 3.28Å; K298-T300 PolarHBondContact O-N 3Å; K298-I302 HydrophobicContact CB-CD1 3.74Å; K298-I302 HydrophobicContact CG-CD1 4.2Å; K298-I302 VanDerWaalsContact O-CB 3.29Å; K298-I302 WeakPolarHBondContact O-CB 3.27Å; K298-I302 WeakPolarHBondContact O-CD1 3.06Å; K298-I302 WeakPolarHBondContact O-CG1 3.07Å; K298-I302 PolarHBondContact O-N 3.37Å; K298-S421 WeakPolarHBondContact CD-OG 3.2Å; K298-S421 WeakPolarHBondContact CE-OG 3.28Å; K298-I442 HydrophobicContact CD-CD1 4.2Å; K298-I442 HydrophobicContact CG-CD1 3.95Å
299	T	88.8	Confident	88.4	Confident	23 Å²	23	22.3 Å²	22.3	14%	0.141	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-33.3	-173.9	-49.5	0	0	0	0	114	G297 V331 Y365 D390	G297-T299 PolarHBondContact O-N 3.37Å; T299-V331 HydrophobicContact CG2-CB 4.23Å; T299-V331 HydrophobicContact CG2-CG1 3.58Å; T299-V331 HydrophobicContact CG2-CG2 3.63Å; T299-Y365 PolarHBondContact O-OH 3.03Å; T299-D390 WeakPolarHBondContact CB-OD2 3.45Å; T299-D390 WeakPolarHBondContact CG2-OD2 3.35Å; T299-D390 PolarHBondContact OG1-OD2 2.73Å
300	T	89.8	Confident	88.3	Confident	26 Å²	26	23.2 Å²	23.2	16%	0.16	14%	0.136	C	C	.	.	H	α-helix	trans	-94.8	-42.6	-179.1	55.7	0	0	0	0	112.6	G297 K298 Q304 V331 R334 V335	G297-T300 PolarHBondContact O-N 3.18Å; G297-T300 PolarHBondContact O-OG1 2.86Å; K298-T300 VanDerWaalsContact C-N 3.28Å; K298-T300 PolarHBondContact O-N 3Å; T300-Q304 PolarHBondContact O-NE2 3.12Å; T300-V331 HydrophobicContact CG2-CG1 4.38Å; T300-R334 HydrophobicContact CG2-CG 4.24Å; T300-V335 HydrophobicContact CG2-CG2 4.07Å
301	Q	92.6	Very high	88.3	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-86.8	-35	-169.8	-56.4	-50.4	-73.6	0	0	113.4	L269 I271 G297 Q304 Y305 E338	L269-Q301 HydrophobicContact CD1-CG 3.63Å; I271-Q301 HydrophobicContact CG2-CB 3.85Å; I271-Q301 HydrophobicContact CG2-CG 3.81Å; G297-Q301 VanDerWaalsContact O-CB 3.25Å; G297-Q301 WeakPolarHBondContact O-CB 3.25Å; G297-Q301 VanDerWaalsContact O-CG 3.32Å; G297-Q301 WeakPolarHBondContact O-CG 3.11Å; G297-Q301 PolarHBondContact O-N 2.89Å; Q301-Q304 WeakPolarHBondContact O-CB 3.43Å; Q301-Q304 PolarHBondContact O-N 2.9Å; Q301-Q304 VanDerWaalsContact O-N 3.14Å; Q301-Y305 HydrophobicContact CB-CD2 4.46Å; Q301-Y305 HydrophobicContact CB-CE1 4.14Å; Q301-Y305 HydrophobicContact CB-CE2 3.84Å; Q301-Y305 WeakPolarHBondContact O-CD1 3.45Å; Q301-Y305 VanDerWaalsContact O-CG 3.26Å; Q301-Y305 PolarHBondContact O-N 3.23Å; Q301-E338 PolarHBondContact NE2-OE2 3.49Å
302	I	94.9	Very high	88.3	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-48.5	-176.7	-62.5	171.8	0	0	0	111.4	I271 L278 I290 K298 Q304 Y305 L306 I388 L419	I271-I302 HydrophobicContact CD1-CD1 3.91Å; I271-I302 HydrophobicContact CD1-CG1 3.49Å; I271-I302 VanDerWaalsContact CD1-CG1 3.49Å; L278-I302 HydrophobicContact CD2-CD1 4.37Å; L278-I302 HydrophobicContact CD2-CG1 3.92Å; I290-I302 HydrophobicContact CD1-CD1 3.78Å; I290-I302 HydrophobicContact CG2-CD1 4.29Å; K298-I302 HydrophobicContact CB-CD1 3.74Å; K298-I302 HydrophobicContact CG-CD1 4.2Å; K298-I302 VanDerWaalsContact O-CB 3.29Å; K298-I302 WeakPolarHBondContact O-CB 3.27Å; K298-I302 WeakPolarHBondContact O-CD1 3.06Å; K298-I302 WeakPolarHBondContact O-CG1 3.07Å; K298-I302 PolarHBondContact O-N 3.37Å; I302-Q304 VanDerWaalsContact C-N 3.26Å; I302-Q304 PolarHBondContact O-N 3.22Å; I302-Y305 PolarHBondContact O-N 3.34Å; I302-L306 HydrophobicContact CG2-CD1 3.93Å; I302-L306 HydrophobicContact CG2-CG 4.39Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.37Å; I302-I388 HydrophobicContact CG2-CD1 3.97Å; I302-L419 HydrophobicContact CG2-CD1 3.82Å
303	P	96	Very high	88.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-34.8	177.3	-26.5	39.3	0	0	0	113.2	Y307 I318 I363 Y365 I388	P303-Y307 WeakPolarHBondContact O-CB 3.41Å; P303-Y307 PolarHBondContact O-N 3.43Å; P303-I318 HydrophobicContact CB-CG2 4.37Å; P303-I363 HydrophobicContact CB-CD1 4.22Å; P303-I363 HydrophobicContact CB-CG2 3.89Å; P303-Y365 HydrophobicContact CG-CE1 4.48Å; P303-Y365 WeakPolarHBondContact CG-OH 3.25Å; P303-I388 HydrophobicContact CG-CD1 3.87Å
304	Q	95	Very high	88.8	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-44.8	176.3	-68.5	177.9	72.4	0	0	111.5	T300 Q301 I302 L306 Y307 E308 V335 E338 M339	T300-Q304 PolarHBondContact O-NE2 3.12Å; Q301-Q304 WeakPolarHBondContact O-CB 3.43Å; Q301-Q304 PolarHBondContact O-N 2.9Å; Q301-Q304 VanDerWaalsContact O-N 3.14Å; I302-Q304 VanDerWaalsContact C-N 3.26Å; I302-Q304 PolarHBondContact O-N 3.22Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.42Å; Q304-Y307 WeakPolarHBondContact O-CB 3.44Å; Q304-Y307 PolarHBondContact O-N 3.39Å; Q304-E308 WeakPolarHBondContact O-CB 3.22Å; Q304-E308 VanDerWaalsContact O-CG 3.28Å; Q304-E308 WeakPolarHBondContact O-CG 3.38Å; Q304-E308 PolarHBondContact O-N 3.06Å; Q304-V335 HydrophobicContact CG-CG1 3.97Å; Q304-E338 PolarHBondContact NE2-OE2 3.15Å; Q304-M339 HydrophobicContact CG-CG 4.08Å; Q304-M339 HydrophobicContact CG-SD 4.04Å
305	Y	95.5	Very high	89.5	Confident	8 Å²	8	35.1 Å²	35.1	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-39.8	177.6	-60.7	-18.2	0	0	0	112	I271 R275 Q301 I302 E308 A309	I271-Y305 HydrophobicContact CG1-CE2 4.37Å; I271-Y305 HydrophobicContact CG2-CE2 4.42Å; R275-Y305 HydrophobicContact CB-CD2 4.23Å; R275-Y305 HydrophobicContact CB-CE2 3.88Å; R275-Y305 HydrophobicContact CG-CD1 4.07Å; R275-Y305 HydrophobicContact CG-CD2 3.8Å; R275-Y305 HydrophobicContact CG-CE1 4.14Å; R275-Y305 HydrophobicContact CG-CE2 3.85Å; R275-Y305 HydrophobicContact CG-CG 3.92Å; Q301-Y305 HydrophobicContact CB-CD2 4.46Å; Q301-Y305 HydrophobicContact CB-CE1 4.14Å; Q301-Y305 HydrophobicContact CB-CE2 3.84Å; Q301-Y305 WeakPolarHBondContact O-CD1 3.45Å; Q301-Y305 VanDerWaalsContact O-CG 3.26Å; Q301-Y305 PolarHBondContact O-N 3.23Å; I302-Y305 PolarHBondContact O-N 3.34Å; Y305-E308 PolarHBondContact O-N 3.18Å; Y305-A309 VanDerWaalsContact O-CB 3.27Å; Y305-A309 WeakPolarHBondContact O-CB 3.24Å; Y305-A309 PolarHBondContact O-N 3.12Å
306	L	96.1	Very high	90.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-41.6	174.9	-71.4	169.6	0	0	0	112.2	I282 I302 Q304 A309 G310 Y311 I318 V386 I388 L419	I282-L306 HydrophobicContact CD1-CD2 4.02Å; I282-L306 HydrophobicContact CG2-CD2 4.03Å; I302-L306 HydrophobicContact CG2-CD1 3.93Å; I302-L306 HydrophobicContact CG2-CG 4.39Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.37Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 PolarHBondContact O-N 3.42Å; L306-A309 PolarHBondContact O-N 3.5Å; L306-G310 PolarHBondContact O-N 3.01Å; L306-Y311 HydrophobicContact CB-CD2 4.22Å; L306-Y311 HydrophobicContact CD2-CD2 3.63Å; L306-Y311 HydrophobicContact CD2-CE2 3.72Å; L306-Y311 HydrophobicContact CD2-CG 4.17Å; L306-Y311 WeakPolarHBondContact O-CB 3.19Å; L306-Y311 WeakPolarHBondContact O-CD2 3.34Å; L306-Y311 PolarHBondContact O-N 3.02Å; L306-Y311 VanDerWaalsContact O-N 3.11Å; L306-I318 HydrophobicContact CB-CD1 3.51Å; L306-I318 HydrophobicContact CB-CG1 4.34Å; L306-I318 HydrophobicContact CD1-CG2 4.26Å; L306-V386 HydrophobicContact CD1-CB 4.29Å; L306-V386 HydrophobicContact CD1-CG1 3.75Å; L306-V386 HydrophobicContact CD1-CG2 4.39Å; L306-V386 HydrophobicContact CD2-CG2 4.31Å; L306-I388 HydrophobicContact CD1-CD1 3.85Å; L306-L419 HydrophobicContact CD1-CD1 3.95Å
307	Y	94.4	Very high	91.3	Very high	91 Å²	91	39.3 Å²	39.3	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-49.1	174.4	170.4	-102.6	0	0	0	111	P303 Q304 A309 G310 C312 M339 V362 I363	P303-Y307 WeakPolarHBondContact O-CB 3.41Å; P303-Y307 PolarHBondContact O-N 3.43Å; Q304-Y307 WeakPolarHBondContact O-CB 3.44Å; Q304-Y307 PolarHBondContact O-N 3.39Å; Y307-A309 VanDerWaalsContact C-N 3.29Å; Y307-A309 PolarHBondContact O-N 3.1Å; Y307-G310 PolarHBondContact O-N 3.1Å; Y307-C312 HydrophobicContact CD2-CB 4.06Å; Y307-C312 HydrophobicContact CE2-CB 4.5Å; Y307-M339 HydrophobicContact CD1-CE 3.56Å; Y307-M339 HydrophobicContact CE1-CE 3.53Å; Y307-M339 HydrophobicContact CG-CE 4.2Å; Y307-V362 HydrophobicContact CD2-CB 4.39Å; Y307-V362 HydrophobicContact CD2-CG2 3.9Å; Y307-V362 HydrophobicContact CE2-CB 4.38Å; Y307-V362 HydrophobicContact CE2-CG2 3.75Å; Y307-I363 HydrophobicContact CG-CD1 4.47Å
308	E	93.4	Very high	92.1	Very high	104 Å²	104	38.9 Å²	38.9	49%	0.486	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-34.5	177.4	-70.4	168.8	-175.1	0	0	112.9	R275 Q304 Y305 G310	R275-E308 IonicContact CZ-OE2 3.52Å; R275-E308 IonicContact NE-OE2 3.4Å; R275-E308 IonicContact NH2-OE2 2.78Å; R275-E308 PolarHBondContact NH2-OE2 3.44Å; Q304-E308 WeakPolarHBondContact O-CB 3.22Å; Q304-E308 VanDerWaalsContact O-CG 3.28Å; Q304-E308 WeakPolarHBondContact O-CG 3.38Å; Q304-E308 PolarHBondContact O-N 3.06Å; Y305-E308 PolarHBondContact O-N 3.18Å; E308-G310 PolarHBondContact O-N 3.08Å
309	A	93.5	Very high	92.6	Very high	54 Å²	54	38.4 Å²	38.4	45%	0.446	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.4	175.7	0	0	0	0	0	113.5	L279 Y305 L306 Y307 Y311	L279-A309 HydrophobicContact CD1-CB 4.3Å; L279-A309 HydrophobicContact CD2-CB 3.84Å; Y305-A309 VanDerWaalsContact O-CB 3.27Å; Y305-A309 WeakPolarHBondContact O-CB 3.24Å; Y305-A309 PolarHBondContact O-N 3.12Å; L306-A309 PolarHBondContact O-N 3.5Å; Y307-A309 VanDerWaalsContact C-N 3.29Å; Y307-A309 PolarHBondContact O-N 3.1Å; A309-Y311 HydrophobicContact CB-CD2 3.97Å; A309-Y311 HydrophobicContact CB-CE2 4.01Å
310	G	92.8	Very high	93	Very high	19 Å²	19	37.3 Å²	37.3	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	17.7	173.7	0	0	0	0	0	115.1	L306 Y307 E308 C312 N313	L306-G310 PolarHBondContact O-N 3.01Å; Y307-G310 PolarHBondContact O-N 3.1Å; E308-G310 PolarHBondContact O-N 3.08Å; G310-C312 PolarHBondContact O-N 2.76Å; G310-N313 WeakPolarHBondContact CA-ND2 3.27Å; G310-N313 WeakPolarHBondContact O-CB 3.31Å; G310-N313 PolarHBondContact O-N 2.6Å; G310-N313 PolarHBondContact O-ND2 3.37Å
311	Y	93.1	Very high	93.3	Very high	52 Å²	52	36.1 Å²	36.1	20%	0.204	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.1	176.3	-77.3	-88.5	0	0	0	113.2	L306 A309 N313 S385 V386 K417	L306-Y311 HydrophobicContact CB-CD2 4.22Å; L306-Y311 HydrophobicContact CD2-CD2 3.63Å; L306-Y311 HydrophobicContact CD2-CE2 3.72Å; L306-Y311 HydrophobicContact CD2-CG 4.17Å; L306-Y311 WeakPolarHBondContact O-CB 3.19Å; L306-Y311 WeakPolarHBondContact O-CD2 3.34Å; L306-Y311 PolarHBondContact O-N 3.02Å; L306-Y311 VanDerWaalsContact O-N 3.11Å; A309-Y311 HydrophobicContact CB-CD2 3.97Å; A309-Y311 HydrophobicContact CB-CE2 4.01Å; Y311-N313 VanDerWaalsContact C-N 3.34Å; Y311-S385 VanDerWaalsContact O-CB 3.27Å; Y311-S385 WeakPolarHBondContact O-CB 3.42Å; Y311-S385 PolarHBondContact O-OG 2.65Å; Y311-V386 HydrophobicContact CD1-CG2 3.48Å; Y311-V386 VanDerWaalsContact CD1-CG2 3.48Å; Y311-V386 HydrophobicContact CE1-CG2 4.22Å; Y311-V386 HydrophobicContact CG-CG2 3.77Å; Y311-K417 HydrophobicContact CE1-CG 3.86Å
312	C	89.5	Confident	93.4	Very high	13 Å²	13	36 Å²	36	9%	0.088	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.3	173.4	-61.6	0	0	0	0	113.9	Y307 G310 K316 I318 V362	Y307-C312 HydrophobicContact CD2-CB 4.06Å; Y307-C312 HydrophobicContact CE2-CB 4.5Å; G310-C312 PolarHBondContact O-N 2.76Å; C312-K316 WeakPolarHBondContact CA-O 3.21Å; C312-I318 WeakPolarHBondContact SG-CD1 3.37Å; C312-V362 HydrophobicContact CB-CB 4.15Å; C312-V362 HydrophobicContact CB-CG1 4.26Å
313	N	86.6	Confident	93.2	Very high	127 Å²	127	37 Å²	37	68%	0.679	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	146	179.1	-69.1	-20.6	0	0	0	111	G310 Y311	G310-N313 WeakPolarHBondContact CA-ND2 3.27Å; G310-N313 WeakPolarHBondContact O-CB 3.31Å; G310-N313 PolarHBondContact O-N 2.6Å; G310-N313 PolarHBondContact O-ND2 3.37Å; Y311-N313 VanDerWaalsContact C-N 3.34Å
314	G	81.8	Confident	92.8	Very high	84 Å²	84	38.8 Å²	38.8	87%	0.866	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	16.7	-178.1	0	0	0	0	0	115
315	G	86.4	Confident	92.4	Very high	72 Å²	72	43.4 Å²	43.4	74%	0.742	25%	0.252	S	S	*	.	S	Bend	trans	80.4	15	177.9	0	0	0	0	0	114.2
316	K	92.8	Very high	91.8	Very high	65 Å²	65	44.5 Å²	44.5	28%	0.283	26%	0.259	S	S	.	.			trans	-83.3	159	175.3	-62.9	-73.1	-177	163.8	0	111.1	C312 G382 S383	C312-K316 WeakPolarHBondContact CA-O 3.21Å; K316-G382 WeakPolarHBondContact CD-O 3.43Å; K316-G382 PolarHBondContact NZ-O 3.34Å; K316-S383 CarbonylContact C-O 3.59Å; K316-S383 WeakPolarHBondContact CA-O 3.14Å
317	R	95.6	Very high	91.4	Very high	57 Å²	57	44.5 Å²	44.5	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.7	-179.6	-60.1	179.4	174	166.5	-4	111.7	S358 E359 T361 V362 S383 Y384 S385	R317-S358 PolarHBondContact NH2-O 3.26Å; R317-E359 PolarHBondContact NH2-O 2.91Å; R317-T361 VanDerWaalsContact CD-O 3.28Å; R317-T361 WeakPolarHBondContact CD-O 3.46Å; R317-T361 WeakPolarHBondContact CG-O 3.42Å; R317-T361 PolarHBondContact NE-O 3.04Å; R317-V362 CarbonylContact C-O 3.54Å; R317-V362 WeakPolarHBondContact CA-O 3.27Å; R317-S383 PolarHBondContact N-O 2.88Å; R317-Y384 HydrophobicContact CB-CD1 3.87Å; R317-Y384 HydrophobicContact CB-CE1 3.99Å; R317-Y384 VanDerWaalsContact O-CA 3.31Å; R317-Y384 WeakPolarHBondContact O-CA 3.25Å; R317-S385 PolarHBondContact O-N 3.32Å; R317-S385 PolarHBondContact O-OG 3.41Å
318	I	97.8	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.3	165.3	-62.7	158.6	0	0	0	107.1	P303 L306 C312 V362 I363 K364 V386 I388	P303-I318 HydrophobicContact CB-CG2 4.37Å; L306-I318 HydrophobicContact CB-CD1 3.51Å; L306-I318 HydrophobicContact CB-CG1 4.34Å; L306-I318 HydrophobicContact CD1-CG2 4.26Å; C312-I318 WeakPolarHBondContact SG-CD1 3.37Å; I318-V362 PolarHBondContact N-O 2.73Å; I318-I363 HydrophobicContact CD1-CG1 4.44Å; I318-K364 PolarHBondContact O-N 3.12Å; I318-V386 HydrophobicContact CG1-CB 4.34Å; I318-V386 HydrophobicContact CG1-CG2 4.46Å; I318-V386 HydrophobicContact CG2-CB 4.4Å; I318-I388 HydrophobicContact CG2-CD1 4.13Å
319	G	97.2	Very high	91	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.2	173.6	0	0	0	0	0	110.1	K364 V386 I388	G319-K364 WeakPolarHBondContact CA-O 3.24Å; G319-V386 PolarHBondContact N-O 3.49Å; G319-I388 PolarHBondContact O-N 3.43Å
320	C	97.4	Very high	90.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.9	172.7	-178.6	0	0	0	0	109.8	K364 Y365 M366 I388	C320-K364 PolarHBondContact N-O 2.6Å; C320-Y365 HydrophobicContact CB-CD1 3.71Å; C320-Y365 HydrophobicContact CB-CE1 3.69Å; C320-Y365 CarbonylContact O-C 3.58Å; C320-Y365 VanDerWaalsContact O-CA 3.25Å; C320-Y365 WeakPolarHBondContact O-CA 3.47Å; C320-Y365 VanDerWaalsContact SG-CE1 3.58Å; C320-M366 PolarHBondContact O-N 3.15Å; C320-I388 CarbonylContact C-O 3.58Å; C320-I388 WeakPolarHBondContact CA-O 3.24Å; C320-I388 HydrophobicContact CB-CB 4.15Å; C320-I388 HydrophobicContact CB-CD1 4.45Å
321	T	96.6	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149	178.6	78.2	0	0	0	0	111.4	M366 D368 L371 M387 I388 I389 D390	T321-M366 CarbonylContact C-O 3.52Å; T321-M366 WeakPolarHBondContact CA-O 3.34Å; T321-M366 HydrophobicContact CG2-CG 4.11Å; T321-D368 WeakPolarHBondContact CB-OD1 3.32Å; T321-D368 PolarHBondContact OG1-OD1 3.26Å; T321-L371 HydrophobicContact CG2-CB 4.01Å; T321-L371 HydrophobicContact CG2-CD2 3.47Å; T321-L371 VanDerWaalsContact CG2-CD2 3.47Å; T321-L371 HydrophobicContact CG2-CG 4.34Å; T321-M387 HydrophobicContact CG2-CE 4.47Å; T321-I388 PolarHBondContact N-O 3.44Å; T321-I389 HydrophobicContact CG2-CD1 3.82Å; T321-D390 VanDerWaalsContact O-CB 3.31Å; T321-D390 WeakPolarHBondContact O-CB 3.48Å; T321-D390 PolarHBondContact O-N 3Å
322	Q	94.5	Very high	90.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.3	173.8	-68.8	-68.2	-41	0	0	108.2	R324 A327 A328 Y365 M366 T367 D368 D390	Q322-R324 PolarHBondContact O-N 3.32Å; Q322-A327 HydrophobicContact CB-CB 4.18Å; Q322-A327 HydrophobicContact CG-CB 4.4Å; Q322-A328 HydrophobicContact CB-CB 4.12Å; Q322-A328 HydrophobicContact CG-CB 4.45Å; Q322-Y365 HydrophobicContact CG-CD1 4.48Å; Q322-M366 PolarHBondContact N-O 3.43Å; Q322-T367 VanDerWaalsContact O-CA 3.23Å; Q322-T367 WeakPolarHBondContact O-CA 3.36Å; Q322-D368 PolarHBondContact O-N 3.2Å; Q322-D390 PolarHBondContact NE2-OD2 2.96Å
323	P	90.2	Very high	90.6	Very high	25 Å²	25	34.5 Å²	34.5	16%	0.162	21%	0.212	C	C	.	.	S	Bend	trans	-65.4	-25.4	-179.6	24	-33.5	0	0	0	112.3	E391 E394 T396	P323-E391 HydrophobicContact CG-CB 3.95Å; P323-E394 HydrophobicContact CB-CB 4.39Å; P323-E394 HydrophobicContact CG-CB 4.24Å; P323-E394 HydrophobicContact CG-CG 4.02Å; P323-E394 WeakPolarHBondContact CG-OE1 3.32Å; P323-T396 HydrophobicContact CB-CG2 3.72Å
324	R	87.7	Confident	90.6	Very high	40 Å²	40	32.7 Å²	32.7	15%	0.151	20%	0.196	C	C	.	.	S	Bend	trans	-114.7	138.5	-173.8	-61.5	-179.1	-174.8	153.9	8.6	112.9	Q322 V326 A327 A328 E394 N545 I546 T549	Q322-R324 PolarHBondContact O-N 3.32Å; R324-V326 PolarHBondContact O-N 3.04Å; R324-A327 HydrophobicContact CB-CB 4.02Å; R324-A327 WeakPolarHBondContact O-CB 3.32Å; R324-A327 PolarHBondContact O-N 3.33Å; R324-A328 PolarHBondContact O-N 3.19Å; R324-E394 IonicContact CZ-OE1 2.89Å; R324-E394 IonicContact CZ-OE2 2.68Å; R324-E394 IonicContact NE-OE1 3.03Å; R324-E394 IonicContact NE-OE2 2.72Å; R324-E394 PolarHBondContact NE-OE2 2.97Å; R324-E394 IonicContact NH2-OE1 2.79Å; R324-E394 IonicContact NH2-OE2 3.96Å; R324-E394 PolarHBondContact NH2-OE2 2.92Å; R324-N545 PolarHBondContact NH1-O 2.85Å; R324-N545 PolarHBondContact NH2-O 2.79Å; R324-I546 PolarHBondContact NH1-O 3.01Å; R324-T549 PolarHBondContact NH1-O 3.15Å; R324-T549 PolarHBondContact NH1-OG1 3.38Å; R324-T549 PolarHBondContact NH2-OG1 2.75Å
325	R	87	Confident	91.1	Very high	100 Å²	100	28.7 Å²	28.7	38%	0.377	15%	0.154	S	C	.	.	H	α-helix	trans	-55	-48.2	174.8	-67.1	-179	65.2	177.8	2.5	112.7	A327 A328 M329 I351 R352 T367	R325-A327 VanDerWaalsContact C-N 3.28Å; R325-A327 PolarHBondContact O-N 2.85Å; R325-A328 PolarHBondContact O-N 3.04Å; R325-M329 WeakPolarHBondContact O-CG 3.25Å; R325-M329 PolarHBondContact O-N 3.44Å; R325-I351 HydrophobicContact CB-CD1 4.2Å; R325-I351 HydrophobicContact CG-CB 4.24Å; R325-I351 HydrophobicContact CG-CD1 4.44Å; R325-R352 PolarHBondContact NH2-O 3.44Å; R325-T367 HydrophobicContact CG-CG2 3.99Å
326	V	83.7	Confident	91.4	Very high	30 Å²	30	25.5 Å²	25.5	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-36.4	-178.3	-172.5	0	0	0	0	111	R324 S330 Q526 L551	R324-V326 PolarHBondContact O-N 3.04Å; V326-S330 VanDerWaalsContact O-CB 3.22Å; V326-S330 WeakPolarHBondContact O-CB 3.49Å; V326-S330 PolarHBondContact O-N 2.72Å; V326-S330 PolarHBondContact O-OG 2.83Å; V326-Q526 VanDerWaalsContact CG1-OE1 3.28Å; V326-L551 HydrophobicContact CG1-CD2 3.97Å
327	A	87.5	Confident	91.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-52	174.6	0	0	0	0	0	110.9	Q322 R324 R325 M329 S330 V331 S550	Q322-A327 HydrophobicContact CB-CB 4.18Å; Q322-A327 HydrophobicContact CG-CB 4.4Å; R324-A327 HydrophobicContact CB-CB 4.02Å; R324-A327 WeakPolarHBondContact O-CB 3.32Å; R324-A327 PolarHBondContact O-N 3.33Å; R325-A327 VanDerWaalsContact C-N 3.28Å; R325-A327 PolarHBondContact O-N 2.85Å; A327-M329 VanDerWaalsContact C-N 3.3Å; A327-M329 PolarHBondContact O-N 3.2Å; A327-S330 PolarHBondContact O-N 3.43Å; A327-S330 PolarHBondContact O-OG 3.42Å; A327-V331 VanDerWaalsContact O-CB 3.27Å; A327-V331 WeakPolarHBondContact O-CB 3.36Å; A327-V331 WeakPolarHBondContact O-CG2 3.44Å; A327-V331 PolarHBondContact O-N 2.96Å; A327-S550 VanDerWaalsContact CB-CB 3.47Å
328	A	91.4	Very high	90.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.1	-45.1	177.6	0	0	0	0	0	112.5	Q322 R324 R325 A332 I351	Q322-A328 HydrophobicContact CB-CB 4.12Å; Q322-A328 HydrophobicContact CG-CB 4.45Å; R324-A328 PolarHBondContact O-N 3.19Å; R325-A328 PolarHBondContact O-N 3.04Å; A328-A332 WeakPolarHBondContact O-CB 3.48Å; A328-A332 PolarHBondContact O-N 2.86Å; A328-A332 VanDerWaalsContact O-N 3.16Å; A328-I351 HydrophobicContact CB-CG2 3.79Å
329	M	88.2	Confident	90.5	Very high	49 Å²	49	27.2 Å²	27.2	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-51.1	178.7	-66.4	172.1	71	0	0	112.8	R325 A327 A332 A333 Y349 I351	R325-M329 WeakPolarHBondContact O-CG 3.25Å; R325-M329 PolarHBondContact O-N 3.44Å; A327-M329 VanDerWaalsContact C-N 3.3Å; A327-M329 PolarHBondContact O-N 3.2Å; M329-A332 PolarHBondContact O-N 2.68Å; M329-A333 WeakPolarHBondContact O-CB 3.41Å; M329-A333 PolarHBondContact O-N 2.77Å; M329-Y349 HydrophobicContact CG-CD2 3.86Å; M329-Y349 HydrophobicContact CG-CE1 4.42Å; M329-Y349 HydrophobicContact CG-CE2 3.63Å; M329-Y349 HydrophobicContact CG-CG 4.34Å; M329-I351 HydrophobicContact CG-CD1 3.8Å; M329-I351 HydrophobicContact SD-CD1 3.56Å; M329-I351 VanDerWaalsContact SD-CD1 3.56Å
330	S	86.6	Confident	90.1	Very high	33 Å²	33	31.8 Å²	31.8	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-39.9	-174.7	58.9	0	0	0	0	112.2	V326 A327 A333 R334	V326-S330 VanDerWaalsContact O-CB 3.22Å; V326-S330 WeakPolarHBondContact O-CB 3.49Å; V326-S330 PolarHBondContact O-N 2.72Å; V326-S330 PolarHBondContact O-OG 2.83Å; A327-S330 PolarHBondContact O-N 3.43Å; A327-S330 PolarHBondContact O-OG 3.42Å; S330-A333 PolarHBondContact O-N 3.34Å; S330-R334 WeakPolarHBondContact O-CB 3.27Å; S330-R334 PolarHBondContact O-N 2.88Å
331	V	90.1	Very high	89.8	Confident	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-47.2	175.7	174.1	0	0	0	0	110.5	T299 T300 A327 A333 R334 V335 Y365	T299-V331 HydrophobicContact CG2-CB 4.23Å; T299-V331 HydrophobicContact CG2-CG1 3.58Å; T299-V331 HydrophobicContact CG2-CG2 3.63Å; T300-V331 HydrophobicContact CG2-CG1 4.38Å; A327-V331 VanDerWaalsContact O-CB 3.27Å; A327-V331 WeakPolarHBondContact O-CB 3.36Å; A327-V331 WeakPolarHBondContact O-CG2 3.44Å; A327-V331 PolarHBondContact O-N 2.96Å; V331-A333 VanDerWaalsContact C-N 3.32Å; V331-A333 PolarHBondContact O-N 2.82Å; V331-R334 PolarHBondContact O-N 2.78Å; V331-V335 HydrophobicContact CG1-CG2 4.22Å; V331-V335 WeakPolarHBondContact O-CB 3.22Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.8Å; V331-Y365 HydrophobicContact CB-CD1 4.49Å; V331-Y365 HydrophobicContact CB-CE1 4.37Å; V331-Y365 HydrophobicContact CG1-CD1 3.87Å; V331-Y365 HydrophobicContact CG1-CE1 3.31Å; V331-Y365 HydrophobicContact CG1-CE2 4.05Å; V331-Y365 HydrophobicContact CG1-CG 4.43Å; V331-Y365 VanDerWaalsContact CG1-CZ 3.41Å
332	A	93.4	Very high	89.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-43.2	177.4	0	0	0	0	0	111.8	A328 M329 R334 V335 S336 L343 V347 Y349 Y365	A328-A332 WeakPolarHBondContact O-CB 3.48Å; A328-A332 PolarHBondContact O-N 2.86Å; A328-A332 VanDerWaalsContact O-N 3.16Å; M329-A332 PolarHBondContact O-N 2.68Å; A332-R334 PolarHBondContact O-N 3.13Å; A332-V335 PolarHBondContact O-N 2.81Å; A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 2.78Å; A332-S336 PolarHBondContact O-OG 2.83Å; A332-L343 HydrophobicContact CB-CD1 3.84Å; A332-V347 HydrophobicContact CB-CG1 4.38Å; A332-V347 WeakPolarHBondContact O-CG1 3.49Å; A332-Y349 HydrophobicContact CB-CD1 3.97Å; A332-Y349 HydrophobicContact CB-CG 4.38Å; A332-Y365 HydrophobicContact CB-CD2 3.69Å; A332-Y365 HydrophobicContact CB-CG 4.21Å
333	A	89.7	Confident	89.4	Confident	30 Å²	30	46 Å²	46	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-45.4	175.2	0	0	0	0	0	111.3	M329 S330 V331 V335 S336 Q337 L343	M329-A333 WeakPolarHBondContact O-CB 3.41Å; M329-A333 PolarHBondContact O-N 2.77Å; S330-A333 PolarHBondContact O-N 3.34Å; V331-A333 VanDerWaalsContact C-N 3.32Å; V331-A333 PolarHBondContact O-N 2.82Å; A333-V335 PolarHBondContact O-N 3.04Å; A333-S336 PolarHBondContact O-N 2.96Å; A333-S336 PolarHBondContact O-OG 2.87Å; A333-Q337 WeakPolarHBondContact O-CG 3.46Å; A333-Q337 PolarHBondContact O-N 3.16Å; A333-Q337 VanDerWaalsContact O-N 3.12Å; A333-L343 HydrophobicContact CB-CD2 4.11Å
334	R	87.6	Confident	89.4	Confident	89 Å²	89	45.5 Å²	45.5	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-61.5	-45.2	176.9	178.5	60	-178.4	-146.6	0.1	112.3	T300 S330 V331 A332 Q337 E338	T300-R334 HydrophobicContact CG2-CG 4.24Å; S330-R334 WeakPolarHBondContact O-CB 3.27Å; S330-R334 PolarHBondContact O-N 2.88Å; V331-R334 PolarHBondContact O-N 2.78Å; A332-R334 PolarHBondContact O-N 3.13Å; R334-Q337 PolarHBondContact O-N 3.49Å; R334-E338 IonicContact CZ-OE1 3.4Å; R334-E338 IonicContact NE-OE1 3.54Å; R334-E338 PolarHBondContact NE-OE1 2.86Å; R334-E338 IonicContact NH2-OE1 3.71Å; R334-E338 PolarHBondContact NH2-OE1 2.97Å; R334-E338 WeakPolarHBondContact O-CB 3.36Å; R334-E338 WeakPolarHBondContact O-CG 3.02Å; R334-E338 PolarHBondContact O-N 3.45Å
335	V	92.4	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-37.4	-178.2	174	0	0	0	0	111	T300 Q304 V331 A332 A333 Q337 E338 M339 V347 Y365	T300-V335 HydrophobicContact CG2-CG2 4.07Å; Q304-V335 HydrophobicContact CG-CG1 3.97Å; V331-V335 HydrophobicContact CG1-CG2 4.22Å; V331-V335 WeakPolarHBondContact O-CB 3.22Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.48Å; V331-V335 PolarHBondContact O-N 2.8Å; A332-V335 PolarHBondContact O-N 2.81Å; A333-V335 PolarHBondContact O-N 3.04Å; V335-Q337 VanDerWaalsContact C-N 3.33Å; V335-Q337 PolarHBondContact O-N 3.37Å; V335-E338 PolarHBondContact O-N 3.44Å; V335-M339 HydrophobicContact CG1-CG 4.44Å; V335-M339 HydrophobicContact CG1-SD 4.09Å; V335-M339 WeakPolarHBondContact O-CB 3.35Å; V335-M339 WeakPolarHBondContact O-CG 3.47Å; V335-M339 PolarHBondContact O-N 3.07Å; V335-V347 HydrophobicContact CB-CG1 4.22Å; V335-V347 HydrophobicContact CG1-CG1 4.09Å; V335-V347 HydrophobicContact CG1-CG2 4.05Å; V335-Y365 HydrophobicContact CB-CE2 4.18Å; V335-Y365 HydrophobicContact CG1-CE2 4.35Å; V335-Y365 HydrophobicContact CG2-CE2 4.09Å; V335-Y365 WeakPolarHBondContact CG2-OH 3.27Å
336	S	92.8	Very high	90	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-42.4	173.2	71.5	0	0	0	0	112	A332 A333 M339 S340 V341	A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 2.78Å; A332-S336 PolarHBondContact O-OG 2.83Å; A333-S336 PolarHBondContact O-N 2.96Å; A333-S336 PolarHBondContact O-OG 2.87Å; S336-M339 PolarHBondContact O-N 3.28Å; S336-S340 PolarHBondContact O-N 3.07Å; S336-V341 CarbonylContact C-O 3.57Å; S336-V341 PolarHBondContact O-N 3.3Å
337	Q	87.9	Confident	90.6	Very high	100 Å²	100	42 Å²	42	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-43.4	174	-69.3	172.6	2.4	0	0	111.7	A333 R334 V335 M339 S340	A333-Q337 WeakPolarHBondContact O-CG 3.46Å; A333-Q337 PolarHBondContact O-N 3.16Å; A333-Q337 VanDerWaalsContact O-N 3.12Å; R334-Q337 PolarHBondContact O-N 3.49Å; V335-Q337 VanDerWaalsContact C-N 3.33Å; V335-Q337 PolarHBondContact O-N 3.37Å; Q337-M339 VanDerWaalsContact C-N 3.29Å; Q337-M339 PolarHBondContact O-N 3.25Å; Q337-S340 PolarHBondContact O-N 3.23Å; Q337-S340 VanDerWaalsContact O-N 3.09Å
338	E	89	Confident	91	Very high	17 Å²	17	42 Å²	42	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-30.1	178.9	-86.1	-174.2	-161.5	0	0	113.8	L262 K266 Q301 Q304 R334 V335	L262-E338 HydrophobicContact CD2-CG 4.35Å; K266-E338 VanDerWaalsContact CE-CB 3.41Å; K266-E338 VanDerWaalsContact CE-CG 3.48Å; K266-E338 WeakPolarHBondContact CE-OE2 3.5Å; K266-E338 PolarHBondContact NZ-O 2.8Å; K266-E338 IonicContact NZ-OE2 3.67Å; Q301-E338 PolarHBondContact NE2-OE2 3.49Å; Q304-E338 PolarHBondContact NE2-OE2 3.15Å; R334-E338 IonicContact CZ-OE1 3.4Å; R334-E338 IonicContact NE-OE1 3.54Å; R334-E338 PolarHBondContact NE-OE1 2.86Å; R334-E338 IonicContact NH2-OE1 3.71Å; R334-E338 PolarHBondContact NH2-OE1 2.97Å; R334-E338 WeakPolarHBondContact O-CB 3.36Å; R334-E338 WeakPolarHBondContact O-CG 3.02Å; R334-E338 PolarHBondContact O-N 3.45Å; V335-E338 PolarHBondContact O-N 3.44Å
339	M	89.8	Confident	91.3	Very high	40 Å²	40	42.8 Å²	42.8	20%	0.197	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.1	173.7	-70.1	-176.3	66.9	0	0	113.1	Q304 Y307 V335 S336 Q337 V341 V347 I363	Q304-M339 HydrophobicContact CG-CG 4.08Å; Q304-M339 HydrophobicContact CG-SD 4.04Å; Y307-M339 HydrophobicContact CD1-CE 3.56Å; Y307-M339 HydrophobicContact CE1-CE 3.53Å; Y307-M339 HydrophobicContact CG-CE 4.2Å; V335-M339 HydrophobicContact CG1-CG 4.44Å; V335-M339 HydrophobicContact CG1-SD 4.09Å; V335-M339 WeakPolarHBondContact O-CB 3.35Å; V335-M339 WeakPolarHBondContact O-CG 3.47Å; V335-M339 PolarHBondContact O-N 3.07Å; S336-M339 PolarHBondContact O-N 3.28Å; Q337-M339 VanDerWaalsContact C-N 3.29Å; Q337-M339 PolarHBondContact O-N 3.25Å; M339-V341 VanDerWaalsContact C-N 3.3Å; M339-V341 HydrophobicContact CB-CG1 4.37Å; M339-V341 HydrophobicContact CB-CG2 4Å; M339-V341 PolarHBondContact O-N 2.93Å; M339-V347 HydrophobicContact SD-CG2 3.63Å; M339-I363 HydrophobicContact CE-CD1 4.37Å; M339-I363 HydrophobicContact SD-CD1 3.71Å
340	S	88.5	Confident	91.5	Very high	97 Å²	97	40.6 Å²	40.6	68%	0.678	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	40	-176	-53.1	0	0	0	0	113.5	S336 Q337	S336-S340 PolarHBondContact O-N 3.07Å; Q337-S340 PolarHBondContact O-N 3.23Å; Q337-S340 VanDerWaalsContact O-N 3.09Å
341	V	91.7	Very high	91.6	Very high	35 Å²	35	39.1 Å²	39.1	21%	0.212	20%	0.198	C	C	.	.			trans	-118.6	158.3	177.6	-62.6	0	0	0	0	110.9	S336 M339 E346 V347	S336-V341 CarbonylContact C-O 3.57Å; S336-V341 PolarHBondContact O-N 3.3Å; M339-V341 VanDerWaalsContact C-N 3.3Å; M339-V341 HydrophobicContact CB-CG1 4.37Å; M339-V341 HydrophobicContact CB-CG2 4Å; M339-V341 PolarHBondContact O-N 2.93Å; V341-E346 HydrophobicContact CB-CB 4.44Å; V341-E346 WeakPolarHBondContact CB-OE2 3.48Å; V341-E346 HydrophobicContact CG1-CB 4.23Å; V341-E346 HydrophobicContact CG1-CG 4.25Å; V341-E346 WeakPolarHBondContact CG1-OE2 3.21Å; V341-E346 HydrophobicContact CG2-CB 4.32Å; V341-V347 HydrophobicContact CG2-CB 4.19Å; V341-V347 HydrophobicContact CG2-CG2 3.84Å
342	R	91.4	Very high	91.2	Very high	210 Å²	210	43.4 Å²	43.4	79%	0.792	21%	0.214	S	C	*	.			trans	-74.4	134.6	175.4	-173.1	177.2	176.9	173.1	1.2	109.6	G344 S345	R342-G344 PolarHBondContact O-N 3.33Å; R342-S345 PolarHBondContact N-OG 3.01Å; R342-S345 PolarHBondContact O-N 3.36Å; R342-S345 PolarHBondContact O-OG 2.85Å
343	L	91.1	Very high	90.3	Very high	53 Å²	53	45 Å²	45	28%	0.277	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-59	126.7	171.7	-174	61.2	0	0	0	110.3	A332 A333 Y349	A332-L343 HydrophobicContact CB-CD1 3.84Å; A333-L343 HydrophobicContact CB-CD2 4.11Å; L343-Y349 HydrophobicContact CD1-CD1 4.03Å; L343-Y349 HydrophobicContact CD1-CE1 4.32Å; L343-Y349 HydrophobicContact CD2-CD1 4.31Å; L343-Y349 HydrophobicContact CD2-CE1 3.81Å; L343-Y349 HydrophobicContact CG-CD1 4.38Å; L343-Y349 HydrophobicContact CG-CE1 4.17Å
344	G	91	Very high	89.8	Confident	15 Å²	15	47.1 Å²	47.1	16%	0.155	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	99	-13.9	-174.3	0	0	0	0	0	115.1	R342 V347 S358 T361	R342-G344 PolarHBondContact O-N 3.33Å; G344-V347 PolarHBondContact N-O 2.74Å; G344-S358 VanDerWaalsContact O-CB 3.27Å; G344-S358 WeakPolarHBondContact O-CB 3.29Å; G344-S358 PolarHBondContact O-N 3.21Å; G344-S358 PolarHBondContact O-OG 3.21Å; G344-T361 PolarHBondContact O-OG1 3.42Å
345	S	92.6	Very high	89.8	Confident	30 Å²	30	47.5 Å²	47.5	21%	0.21	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-105.4	170.2	59.1	0	0	0	0	110.2	R342 S358 H360 T361	R342-S345 PolarHBondContact N-OG 3.01Å; R342-S345 PolarHBondContact O-N 3.36Å; R342-S345 PolarHBondContact O-OG 2.85Å; S345-S358 PolarHBondContact O-OG 3.5Å; S345-H360 CarbonylContact O-C 3.54Å; S345-T361 WeakPolarHBondContact O-CA 3.39Å; S345-T361 WeakPolarHBondContact O-CB 3.19Å; S345-T361 PolarHBondContact O-N 2.87Å; S345-T361 PolarHBondContact O-OG1 3.24Å
346	E	94.2	Very high	89.7	Confident	67 Å²	67	49.1 Å²	49.1	31%	0.313	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-32.6	-178.3	-66.3	82.2	177.8	0	0	112.4	V341 V362 I363	V341-E346 HydrophobicContact CB-CB 4.44Å; V341-E346 WeakPolarHBondContact CB-OE2 3.48Å; V341-E346 HydrophobicContact CG1-CB 4.23Å; V341-E346 HydrophobicContact CG1-CG 4.25Å; V341-E346 WeakPolarHBondContact CG1-OE2 3.21Å; V341-E346 HydrophobicContact CG2-CB 4.32Å; E346-V362 HydrophobicContact CB-CG2 3.92Å; E346-V362 WeakPolarHBondContact O-CG2 3.42Å; E346-V362 PolarHBondContact O-N 3.1Å; E346-I363 PolarHBondContact O-N 3.23Å
347	V	96.6	Very high	89.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.5	177.1	-179.4	0	0	0	0	108.6	A332 V335 M339 V341 G344 I363 Y365	A332-V347 HydrophobicContact CB-CG1 4.38Å; A332-V347 WeakPolarHBondContact O-CG1 3.49Å; V335-V347 HydrophobicContact CB-CG1 4.22Å; V335-V347 HydrophobicContact CG1-CG1 4.09Å; V335-V347 HydrophobicContact CG1-CG2 4.05Å; M339-V347 HydrophobicContact SD-CG2 3.63Å; V341-V347 HydrophobicContact CG2-CB 4.19Å; V341-V347 HydrophobicContact CG2-CG2 3.84Å; G344-V347 PolarHBondContact N-O 2.74Å; V347-I363 WeakPolarHBondContact CA-O 3.33Å; V347-I363 HydrophobicContact CG2-CB 4.33Å; V347-I363 HydrophobicContact CG2-CD1 4.44Å; V347-Y365 HydrophobicContact CG1-CD2 4.43Å; V347-Y365 HydrophobicContact CG1-CE2 4.37Å
348	G	96	Very high	89.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	172.2	-179	0	0	0	0	0	112.6	C356 I363 Y365	G348-C356 CarbonylContact C-O 3.57Å; G348-C356 WeakPolarHBondContact CA-O 3.48Å; G348-I363 PolarHBondContact N-O 3.49Å; G348-Y365 PolarHBondContact O-N 3.07Å
349	Y	95.8	Very high	89.8	Confident	18 Å²	18	55.1 Å²	55.1	7%	0.071	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.8	170.9	66.5	-90.4	0	0	0	112.5	M329 A332 L343 I351 E354 C356 Y365	M329-Y349 HydrophobicContact CG-CD2 3.86Å; M329-Y349 HydrophobicContact CG-CE1 4.42Å; M329-Y349 HydrophobicContact CG-CE2 3.63Å; M329-Y349 HydrophobicContact CG-CG 4.34Å; A332-Y349 HydrophobicContact CB-CD1 3.97Å; A332-Y349 HydrophobicContact CB-CG 4.38Å; L343-Y349 HydrophobicContact CD1-CD1 4.03Å; L343-Y349 HydrophobicContact CD1-CE1 4.32Å; L343-Y349 HydrophobicContact CD2-CD1 4.31Å; L343-Y349 HydrophobicContact CD2-CE1 3.81Å; L343-Y349 HydrophobicContact CG-CD1 4.38Å; L343-Y349 HydrophobicContact CG-CE1 4.17Å; Y349-I351 HydrophobicContact CD2-CD1 4.36Å; Y349-I351 HydrophobicContact CD2-CG1 4.33Å; Y349-I351 HydrophobicContact CD2-CG2 4.16Å; Y349-I351 HydrophobicContact CE2-CD1 4.1Å; Y349-I351 HydrophobicContact CE2-CG1 4.32Å; Y349-E354 HydrophobicContact CE2-CG 4.12Å; Y349-E354 WeakPolarHBondContact CE2-OE1 3.38Å; Y349-E354 PolarHBondContact OH-OE1 2.91Å; Y349-C356 HydrophobicContact CD1-CB 3.89Å; Y349-C356 HydrophobicContact CD2-CB 4.3Å; Y349-C356 HydrophobicContact CE1-CB 3.47Å; Y349-C356 VanDerWaalsContact CE1-CB 3.47Å; Y349-C356 HydrophobicContact CE2-CB 3.94Å; Y349-C356 HydrophobicContact CG-CB 4.28Å; Y349-C356 PolarHBondContact N-O 2.78Å; Y349-C356 CarbonylContact O-C 3.43Å; Y349-C356 WeakPolarHBondContact O-CA 3.5Å; Y349-C356 PolarHBondContact O-N 3.19Å; Y349-Y365 CarbonylContact C-O 3.51Å; Y349-Y365 WeakPolarHBondContact CA-O 3.45Å
350	S	93.4	Very high	89.8	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.6	174.7	-169.3	0	0	0	0	110.2	D355 Y365 M366 T367	S350-D355 PolarHBondContact OG-OD2 3.29Å; S350-Y365 PolarHBondContact N-O 3.23Å; S350-M366 WeakPolarHBondContact O-CA 3.35Å; S350-M366 VanDerWaalsContact O-CB 3.27Å; S350-M366 WeakPolarHBondContact O-CB 3.04Å; S350-T367 PolarHBondContact O-N 3.23Å; S350-T367 VanDerWaalsContact O-N 3.15Å
351	I	89	Confident	90	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.7	179.2	65.7	-176.8	0	0	0	109.7	R325 A328 M329 Y349 F353 E354 T367	R325-I351 HydrophobicContact CB-CD1 4.2Å; R325-I351 HydrophobicContact CG-CB 4.24Å; R325-I351 HydrophobicContact CG-CD1 4.44Å; A328-I351 HydrophobicContact CB-CG2 3.79Å; M329-I351 HydrophobicContact CG-CD1 3.8Å; M329-I351 HydrophobicContact SD-CD1 3.56Å; M329-I351 VanDerWaalsContact SD-CD1 3.56Å; Y349-I351 HydrophobicContact CD2-CD1 4.36Å; Y349-I351 HydrophobicContact CD2-CG1 4.33Å; Y349-I351 HydrophobicContact CD2-CG2 4.16Å; Y349-I351 HydrophobicContact CE2-CD1 4.1Å; Y349-I351 HydrophobicContact CE2-CG1 4.32Å; I351-F353 PolarHBondContact O-N 3.03Å; I351-F353 VanDerWaalsContact O-N 3.12Å; I351-E354 CarbonylContact C-O 3.54Å; I351-E354 HydrophobicContact CD1-CB 4.15Å; I351-E354 HydrophobicContact CG1-CB 3.75Å; I351-E354 HydrophobicContact CG1-CG 4.46Å; I351-E354 WeakPolarHBondContact CG1-O 3.4Å; I351-E354 PolarHBondContact N-O 2.73Å; I351-E354 CarbonylContact O-C 3.38Å; I351-E354 PolarHBondContact O-N 2.92Å; I351-T367 HydrophobicContact CB-CG2 4.3Å; I351-T367 HydrophobicContact CG2-CG2 3.87Å
352	R	81.7	Confident	90.2	Very high	101 Å²	101	55 Å²	55	38%	0.381	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	125.8	177.5	-166.4	179.6	173.1	-169.7	-8.3	110.6	R325 E354 M370 P689	R325-R352 PolarHBondContact NH2-O 3.44Å; R352-E354 VanDerWaalsContact C-N 3.29Å; R352-E354 PolarHBondContact O-N 2.62Å; R352-M370 HydrophobicContact CB-SD 4.47Å; R352-P689 PolarHBondContact NE-O 3.34Å; R352-P689 PolarHBondContact NH2-O 3.46Å
353	F	74.2	Confident	90.5	Very high	34 Å²	34	45 Å²	45	15%	0.149	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	8.6	-178.3	-45.5	-62.4	0	0	0	116.9	I351 I784 Q787	I351-F353 PolarHBondContact O-N 3.03Å; I351-F353 VanDerWaalsContact O-N 3.12Å; F353-I784 HydrophobicContact CB-CG1 4.33Å; F353-I784 HydrophobicContact CD1-CB 4.33Å; F353-I784 HydrophobicContact CD1-CG1 3.68Å; F353-I784 HydrophobicContact CD1-CG2 4.43Å; F353-I784 HydrophobicContact CD2-CD1 4.02Å; F353-I784 HydrophobicContact CD2-CG1 3.72Å; F353-I784 HydrophobicContact CE1-CB 4.25Å; F353-I784 HydrophobicContact CE1-CG1 3.78Å; F353-I784 HydrophobicContact CE1-CG2 3.87Å; F353-I784 HydrophobicContact CE2-CD1 3.83Å; F353-I784 HydrophobicContact CE2-CG1 3.79Å; F353-I784 HydrophobicContact CG-CD1 4.45Å; F353-I784 HydrophobicContact CG-CG1 3.65Å; F353-I784 HydrophobicContact CZ-CD1 4.12Å; F353-I784 HydrophobicContact CZ-CG1 3.81Å; F353-I784 HydrophobicContact CZ-CG2 4.04Å; F353-Q787 VanDerWaalsContact C-NE2 3.34Å; F353-Q787 VanDerWaalsContact CA-NE2 3.28Å; F353-Q787 PolarHBondContact O-NE2 3.33Å
354	E	78.7	Confident	90.8	Very high	74 Å²	74	43 Å²	43	35%	0.346	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	121.5	179.5	-176.7	-176.8	157.1	0	0	110.4	Y349 I351 R352	Y349-E354 HydrophobicContact CE2-CG 4.12Å; Y349-E354 WeakPolarHBondContact CE2-OE1 3.38Å; Y349-E354 PolarHBondContact OH-OE1 2.91Å; I351-E354 CarbonylContact C-O 3.54Å; I351-E354 HydrophobicContact CD1-CB 4.15Å; I351-E354 HydrophobicContact CG1-CB 3.75Å; I351-E354 HydrophobicContact CG1-CG 4.46Å; I351-E354 WeakPolarHBondContact CG1-O 3.4Å; I351-E354 PolarHBondContact N-O 2.73Å; I351-E354 CarbonylContact O-C 3.38Å; I351-E354 PolarHBondContact O-N 2.92Å; R352-E354 VanDerWaalsContact C-N 3.29Å; R352-E354 PolarHBondContact O-N 2.62Å
355	D	88.1	Confident	91.1	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.2	178.7	-163.3	-16.8	0	0	0	109.7	S350 T357	S350-D355 PolarHBondContact OG-OD2 3.29Å; D355-T357 WeakPolarHBondContact OD1-CB 3.37Å; D355-T357 WeakPolarHBondContact OD1-CG2 3.29Å; D355-T357 PolarHBondContact OD1-N 2.88Å; D355-T357 PolarHBondContact OD1-OG1 3.37Å
356	C	90.8	Very high	91.3	Very high	34 Å²	34	40.9 Å²	40.9	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	65.8	176.7	-168.8	0	0	0	0	108.6	G348 Y349	G348-C356 CarbonylContact C-O 3.57Å; G348-C356 WeakPolarHBondContact CA-O 3.48Å; Y349-C356 HydrophobicContact CD1-CB 3.89Å; Y349-C356 HydrophobicContact CD2-CB 4.3Å; Y349-C356 HydrophobicContact CE1-CB 3.47Å; Y349-C356 VanDerWaalsContact CE1-CB 3.47Å; Y349-C356 HydrophobicContact CE2-CB 3.94Å; Y349-C356 HydrophobicContact CG-CB 4.28Å; Y349-C356 PolarHBondContact N-O 2.78Å; Y349-C356 CarbonylContact O-C 3.43Å; Y349-C356 WeakPolarHBondContact O-CA 3.5Å; Y349-C356 PolarHBondContact O-N 3.19Å
357	T	92	Very high	91.3	Very high	42 Å²	42	38.3 Å²	38.3	26%	0.258	19%	0.191	S	C	.	.			trans	-133.5	162.3	176.8	63.4	0	0	0	0	110.6	D355 T361 K364	D355-T357 WeakPolarHBondContact OD1-CB 3.37Å; D355-T357 WeakPolarHBondContact OD1-CG2 3.29Å; D355-T357 PolarHBondContact OD1-N 2.88Å; D355-T357 PolarHBondContact OD1-OG1 3.37Å; T357-T361 HydrophobicContact CG2-CG2 4.32Å; T357-K364 HydrophobicContact CG2-CD 4.26Å; T357-K364 HydrophobicContact CG2-CG 3.99Å
358	S	90.9	Very high	91.2	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	19%	0.191	S	C	.	.			trans	-136.8	176	174.8	65.7	0	0	0	0	110.4	R317 G344 S345 H360 T361	R317-S358 PolarHBondContact NH2-O 3.26Å; G344-S358 VanDerWaalsContact O-CB 3.27Å; G344-S358 WeakPolarHBondContact O-CB 3.29Å; G344-S358 PolarHBondContact O-N 3.21Å; G344-S358 PolarHBondContact O-OG 3.21Å; S345-S358 PolarHBondContact O-OG 3.5Å; S358-H360 PolarHBondContact O-N 3.43Å; S358-H360 PolarHBondContact OG-N 3.2Å; S358-T361 PolarHBondContact N-OG1 2.67Å; S358-T361 WeakPolarHBondContact O-CB 3.12Å; S358-T361 PolarHBondContact O-N 3.09Å; S358-T361 VanDerWaalsContact O-N 3.12Å; S358-T361 PolarHBondContact O-OG1 3.14Å; S358-T361 PolarHBondContact OG-OG1 3.24Å
359	E	87.6	Confident	90.9	Very high	164 Å²	164	39.5 Å²	39.5	77%	0.766	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-30	173.8	-62.9	-178.7	-178.2	0	0	112	R317 T361	R317-E359 PolarHBondContact NH2-O 2.91Å; E359-T361 VanDerWaalsContact C-N 3.33Å
360	H	89.7	Confident	90.6	Very high	138 Å²	138	40.5 Å²	40.5	64%	0.639	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-4.9	179.4	-57.7	-58	0	0	0	114.4	S345 S358 V362	S345-H360 CarbonylContact O-C 3.54Å; S358-H360 PolarHBondContact O-N 3.43Å; S358-H360 PolarHBondContact OG-N 3.2Å; H360-V362 PolarHBondContact O-N 3.46Å
361	T	94.3	Very high	90.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.207	C	C	.	.			trans	-66.4	121	179.6	-56.8	0	0	0	0	110.7	R317 G344 S345 T357 S358 E359 I363 K364	R317-T361 VanDerWaalsContact CD-O 3.28Å; R317-T361 WeakPolarHBondContact CD-O 3.46Å; R317-T361 WeakPolarHBondContact CG-O 3.42Å; R317-T361 PolarHBondContact NE-O 3.04Å; G344-T361 PolarHBondContact O-OG1 3.42Å; S345-T361 WeakPolarHBondContact O-CA 3.39Å; S345-T361 WeakPolarHBondContact O-CB 3.19Å; S345-T361 PolarHBondContact O-N 2.87Å; S345-T361 PolarHBondContact O-OG1 3.24Å; T357-T361 HydrophobicContact CG2-CG2 4.32Å; S358-T361 PolarHBondContact N-OG1 2.67Å; S358-T361 WeakPolarHBondContact O-CB 3.12Å; S358-T361 PolarHBondContact O-N 3.09Å; S358-T361 VanDerWaalsContact O-N 3.12Å; S358-T361 PolarHBondContact O-OG1 3.14Å; S358-T361 PolarHBondContact OG-OG1 3.24Å; E359-T361 VanDerWaalsContact C-N 3.33Å; T361-I363 VanDerWaalsContact CG2-O 3.29Å; T361-I363 WeakPolarHBondContact CG2-O 3.4Å; T361-K364 HydrophobicContact CG2-CB 4.21Å
362	V	95.6	Very high	90.7	Very high	30 Å²	30	40.4 Å²	40.4	18%	0.182	21%	0.207	C	C	.	.	S	Bend	trans	-106.9	-31.2	179.5	-70.5	0	0	0	0	111.8	Y307 C312 R317 I318 E346 H360	Y307-V362 HydrophobicContact CD2-CB 4.39Å; Y307-V362 HydrophobicContact CD2-CG2 3.9Å; Y307-V362 HydrophobicContact CE2-CB 4.38Å; Y307-V362 HydrophobicContact CE2-CG2 3.75Å; C312-V362 HydrophobicContact CB-CB 4.15Å; C312-V362 HydrophobicContact CB-CG1 4.26Å; R317-V362 CarbonylContact C-O 3.54Å; R317-V362 WeakPolarHBondContact CA-O 3.27Å; I318-V362 PolarHBondContact N-O 2.73Å; E346-V362 HydrophobicContact CB-CG2 3.92Å; E346-V362 WeakPolarHBondContact O-CG2 3.42Å; E346-V362 PolarHBondContact O-N 3.1Å; H360-V362 PolarHBondContact O-N 3.46Å
363	I	97.4	Very high	90.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.3	171.8	-59.8	174.4	0	0	0	107.8	P303 Y307 I318 M339 E346 V347 G348 T361 Y365	P303-I363 HydrophobicContact CB-CD1 4.22Å; P303-I363 HydrophobicContact CB-CG2 3.89Å; Y307-I363 HydrophobicContact CG-CD1 4.47Å; I318-I363 HydrophobicContact CD1-CG1 4.44Å; M339-I363 HydrophobicContact CE-CD1 4.37Å; M339-I363 HydrophobicContact SD-CD1 3.71Å; E346-I363 PolarHBondContact O-N 3.23Å; V347-I363 WeakPolarHBondContact CA-O 3.33Å; V347-I363 HydrophobicContact CG2-CB 4.33Å; V347-I363 HydrophobicContact CG2-CD1 4.44Å; G348-I363 PolarHBondContact N-O 3.49Å; T361-I363 VanDerWaalsContact CG2-O 3.29Å; T361-I363 WeakPolarHBondContact CG2-O 3.4Å; I363-Y365 HydrophobicContact CG2-CD2 4.18Å; I363-Y365 HydrophobicContact CG2-CE2 3.71Å
364	K	97.3	Very high	91.6	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110	-179.6	-176.2	-178.2	161.5	-168.4	0	109.5	I318 G319 C320 T357 T361 M366 E374 Y384	I318-K364 PolarHBondContact O-N 3.12Å; G319-K364 WeakPolarHBondContact CA-O 3.24Å; C320-K364 PolarHBondContact N-O 2.6Å; T357-K364 HydrophobicContact CG2-CD 4.26Å; T357-K364 HydrophobicContact CG2-CG 3.99Å; T361-K364 HydrophobicContact CG2-CB 4.21Å; K364-M366 HydrophobicContact CB-CE 4.29Å; K364-M366 HydrophobicContact CD-CE 3.72Å; K364-M366 HydrophobicContact CG-CE 3.86Å; K364-E374 IonicContact NZ-OE1 3.51Å; K364-E374 PolarHBondContact NZ-OE1 3.23Å; K364-E374 IonicContact NZ-OE2 3.19Å; K364-E374 PolarHBondContact NZ-OE2 3.1Å; K364-Y384 WeakPolarHBondContact CD-OH 3.31Å; K364-Y384 PolarHBondContact NZ-OH 2.82Å
365	Y	97.7	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.1	165.5	-71.2	-83.1	0	0	0	109.5	T299 P303 C320 Q322 V331 A332 V335 V347 G348 Y349 S350 I363	T299-Y365 PolarHBondContact O-OH 3.03Å; P303-Y365 HydrophobicContact CG-CE1 4.48Å; P303-Y365 WeakPolarHBondContact CG-OH 3.25Å; C320-Y365 HydrophobicContact CB-CD1 3.71Å; C320-Y365 HydrophobicContact CB-CE1 3.69Å; C320-Y365 CarbonylContact O-C 3.58Å; C320-Y365 VanDerWaalsContact O-CA 3.25Å; C320-Y365 WeakPolarHBondContact O-CA 3.47Å; C320-Y365 VanDerWaalsContact SG-CE1 3.58Å; Q322-Y365 HydrophobicContact CG-CD1 4.48Å; V331-Y365 HydrophobicContact CB-CD1 4.49Å; V331-Y365 HydrophobicContact CB-CE1 4.37Å; V331-Y365 HydrophobicContact CG1-CD1 3.87Å; V331-Y365 HydrophobicContact CG1-CE1 3.31Å; V331-Y365 HydrophobicContact CG1-CE2 4.05Å; V331-Y365 HydrophobicContact CG1-CG 4.43Å; V331-Y365 VanDerWaalsContact CG1-CZ 3.41Å; A332-Y365 HydrophobicContact CB-CD2 3.69Å; A332-Y365 HydrophobicContact CB-CG 4.21Å; V335-Y365 HydrophobicContact CB-CE2 4.18Å; V335-Y365 HydrophobicContact CG1-CE2 4.35Å; V335-Y365 HydrophobicContact CG2-CE2 4.09Å; V335-Y365 WeakPolarHBondContact CG2-OH 3.27Å; V347-Y365 HydrophobicContact CG1-CD2 4.43Å; V347-Y365 HydrophobicContact CG1-CE2 4.37Å; G348-Y365 PolarHBondContact O-N 3.07Å; Y349-Y365 CarbonylContact C-O 3.51Å; Y349-Y365 WeakPolarHBondContact CA-O 3.45Å; S350-Y365 PolarHBondContact N-O 3.23Å; I363-Y365 HydrophobicContact CG2-CD2 4.18Å; I363-Y365 HydrophobicContact CG2-CE2 3.71Å
366	M	96.4	Very high	91.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.1	177.3	66.8	-169.2	91.9	0	0	112.2	C320 T321 Q322 S350 K364 M370 L371 Y384	C320-M366 PolarHBondContact O-N 3.15Å; T321-M366 CarbonylContact C-O 3.52Å; T321-M366 WeakPolarHBondContact CA-O 3.34Å; T321-M366 HydrophobicContact CG2-CG 4.11Å; Q322-M366 PolarHBondContact N-O 3.43Å; S350-M366 WeakPolarHBondContact O-CA 3.35Å; S350-M366 VanDerWaalsContact O-CB 3.27Å; S350-M366 WeakPolarHBondContact O-CB 3.04Å; K364-M366 HydrophobicContact CB-CE 4.29Å; K364-M366 HydrophobicContact CD-CE 3.72Å; K364-M366 HydrophobicContact CG-CE 3.86Å; M366-M370 HydrophobicContact CB-CB 4.28Å; M366-L371 HydrophobicContact CG-CB 4.4Å; M366-L371 HydrophobicContact SD-CB 3.84Å; M366-L371 HydrophobicContact SD-CD1 4.13Å; M366-Y384 HydrophobicContact CE-CE1 3.97Å
367	T	94.2	Very high	91.5	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.08	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	149.3	168.7	47.7	0	0	0	0	111.4	Q322 R325 S350 I351 G369 M370 L371	Q322-T367 VanDerWaalsContact O-CA 3.23Å; Q322-T367 WeakPolarHBondContact O-CA 3.36Å; R325-T367 HydrophobicContact CG-CG2 3.99Å; S350-T367 PolarHBondContact O-N 3.23Å; S350-T367 VanDerWaalsContact O-N 3.15Å; I351-T367 HydrophobicContact CB-CG2 4.3Å; I351-T367 HydrophobicContact CG2-CG2 3.87Å; T367-G369 PolarHBondContact O-N 3.01Å; T367-G369 VanDerWaalsContact O-N 3.15Å; T367-M370 WeakPolarHBondContact O-CA 3.44Å; T367-M370 WeakPolarHBondContact O-CB 3.4Å; T367-M370 PolarHBondContact O-N 3.19Å; T367-M370 VanDerWaalsContact OG1-CG 3.25Å; T367-M370 WeakPolarHBondContact OG1-CG 3.37Å; T367-L371 PolarHBondContact O-N 2.71Å
368	D	93.7	Very high	91.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-48.9	-43.4	177	-62.9	-12.9	0	0	0	112.5	T321 Q322 M370 L371 L372 H398 T399 L402	T321-D368 WeakPolarHBondContact CB-OD1 3.32Å; T321-D368 PolarHBondContact OG1-OD1 3.26Å; Q322-D368 PolarHBondContact O-N 3.2Å; D368-M370 VanDerWaalsContact C-N 3.26Å; D368-M370 PolarHBondContact O-N 3.38Å; D368-L371 PolarHBondContact O-N 3.24Å; D368-L372 PolarHBondContact O-N 3.03Å; D368-H398 HydrophobicContact CB-CB 3.73Å; D368-T399 PolarHBondContact OD2-OG1 3.29Å; D368-L402 HydrophobicContact CB-CD1 3.68Å
369	G	90.1	Very high	91.1	Very high	23 Å²	23	37.7 Å²	37.7	24%	0.237	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-24.2	176.8	0	0	0	0	0	114.9	T367 R373	T367-G369 PolarHBondContact O-N 3.01Å; T367-G369 VanDerWaalsContact O-N 3.15Å; G369-R373 PolarHBondContact O-N 3.4Å
370	M	90.5	Very high	91.2	Very high	39 Å²	39	33.1 Å²	33.1	19%	0.192	18%	0.179	C	C	.	.	H	α-helix	trans	-77.3	-39.3	174.5	-68.1	-58.4	-63.7	0	0	111.1	R352 M366 T367 D368 L372 R373 E374	R352-M370 HydrophobicContact CB-SD 4.47Å; M366-M370 HydrophobicContact CB-CB 4.28Å; T367-M370 WeakPolarHBondContact O-CA 3.44Å; T367-M370 WeakPolarHBondContact O-CB 3.4Å; T367-M370 PolarHBondContact O-N 3.19Å; T367-M370 VanDerWaalsContact OG1-CG 3.25Å; T367-M370 WeakPolarHBondContact OG1-CG 3.37Å; D368-M370 VanDerWaalsContact C-N 3.26Å; D368-M370 PolarHBondContact O-N 3.38Å; M370-L372 VanDerWaalsContact C-N 3.34Å; M370-R373 PolarHBondContact O-N 2.61Å; M370-E374 PolarHBondContact O-N 3.23Å
371	L	94.1	Very high	91.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-44.1	172.8	-179.2	60.9	0	0	0	110.9	T321 M366 T367 D368 R373 E374 F375 L381 M387 I389 L402	T321-L371 HydrophobicContact CG2-CB 4.01Å; T321-L371 HydrophobicContact CG2-CD2 3.47Å; T321-L371 VanDerWaalsContact CG2-CD2 3.47Å; T321-L371 HydrophobicContact CG2-CG 4.34Å; M366-L371 HydrophobicContact CG-CB 4.4Å; M366-L371 HydrophobicContact SD-CB 3.84Å; M366-L371 HydrophobicContact SD-CD1 4.13Å; T367-L371 PolarHBondContact O-N 2.71Å; D368-L371 PolarHBondContact O-N 3.24Å; L371-R373 PolarHBondContact O-N 2.77Å; L371-E374 WeakPolarHBondContact O-CA 3.15Å; L371-E374 WeakPolarHBondContact O-CB 3.42Å; L371-E374 PolarHBondContact O-N 3.04Å; L371-F375 HydrophobicContact CD1-CE2 4.45Å; L371-F375 HydrophobicContact CG-CD2 4.43Å; L371-F375 HydrophobicContact CG-CE2 4.1Å; L371-F375 VanDerWaalsContact O-CD2 3.31Å; L371-F375 WeakPolarHBondContact O-CD2 3.46Å; L371-F375 PolarHBondContact O-N 2.53Å; L371-F375 VanDerWaalsContact O-N 3.16Å; L371-L381 HydrophobicContact CD1-CD1 4.31Å; L371-L381 HydrophobicContact CD1-CD2 3.87Å; L371-M387 HydrophobicContact CD1-CE 3.55Å; L371-M387 HydrophobicContact CD2-CE 3.48Å; L371-M387 VanDerWaalsContact CD2-CE 3.48Å; L371-M387 HydrophobicContact CG-CE 4.16Å; L371-I389 HydrophobicContact CD2-CD1 3.96Å; L371-L402 HydrophobicContact CB-CD1 4.36Å; L371-L402 HydrophobicContact CB-CD2 4.15Å; L371-L402 HydrophobicContact CD2-CD1 4.06Å; L371-L402 HydrophobicContact CD2-CD2 3.65Å; L371-L402 HydrophobicContact CD2-CG 4.48Å; L371-L402 HydrophobicContact CG-CD2 3.74Å
372	L	90.7	Very high	91.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-36.5	174.5	-81.4	178.2	0	0	0	113.5	D368 M370 F375 H398 I401 L402 L405 L636	D368-L372 PolarHBondContact O-N 3.03Å; M370-L372 VanDerWaalsContact C-N 3.34Å; L372-F375 WeakPolarHBondContact O-CB 3.28Å; L372-H398 HydrophobicContact CD1-CB 3.57Å; L372-H398 WeakPolarHBondContact CD1-ND1 3.19Å; L372-I401 HydrophobicContact CD2-CB 4.39Å; L372-I401 HydrophobicContact CD2-CG2 3.84Å; L372-L402 HydrophobicContact CD1-CG 4.43Å; L372-L402 HydrophobicContact CD2-CD2 3.47Å; L372-L402 VanDerWaalsContact CD2-CD2 3.47Å; L372-L402 HydrophobicContact CD2-CG 3.71Å; L372-L402 HydrophobicContact CG-CD1 4.38Å; L372-L402 HydrophobicContact CG-CD2 3.65Å; L372-L402 HydrophobicContact CG-CG 3.7Å; L372-L405 HydrophobicContact CD2-CD1 3.5Å; L372-L405 VanDerWaalsContact CD2-CD1 3.5Å; L372-L636 HydrophobicContact CB-CD2 3.9Å; L372-L636 HydrophobicContact CD1-CD2 4.12Å; L372-L636 HydrophobicContact CD2-CD2 4.13Å; L372-L636 HydrophobicContact CG-CD2 4.29Å
373	R	85.1	Confident	91	Very high	59 Å²	59	27.2 Å²	27.2	22%	0.223	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-35.3	175.5	-173.1	178.4	178.2	86.9	1.8	111.5	G369 M370 L371 F375 L376 E687	G369-R373 PolarHBondContact O-N 3.4Å; M370-R373 PolarHBondContact O-N 2.61Å; L371-R373 PolarHBondContact O-N 2.77Å; R373-F375 PolarHBondContact O-N 3.07Å; R373-L376 VanDerWaalsContact O-CB 3.31Å; R373-L376 WeakPolarHBondContact O-CB 3.35Å; R373-L376 PolarHBondContact O-N 3.33Å; R373-E687 VanDerWaalsContact CZ-O 3.3Å; R373-E687 PolarHBondContact NH1-O 3.34Å; R373-E687 PolarHBondContact NH2-O 3.39Å
374	E	89.4	Confident	90.9	Very high	29 Å²	29	27.2 Å²	27.2	14%	0.136	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-31.5	178	-160.3	156.2	174.7	0	0	111.8	K364 M370 L371 L376 T377 E378 Y384	K364-E374 IonicContact NZ-OE1 3.51Å; K364-E374 PolarHBondContact NZ-OE1 3.23Å; K364-E374 IonicContact NZ-OE2 3.19Å; K364-E374 PolarHBondContact NZ-OE2 3.1Å; M370-E374 PolarHBondContact O-N 3.23Å; L371-E374 WeakPolarHBondContact O-CA 3.15Å; L371-E374 WeakPolarHBondContact O-CB 3.42Å; L371-E374 PolarHBondContact O-N 3.04Å; E374-L376 PolarHBondContact O-N 2.64Å; E374-T377 PolarHBondContact O-N 2.94Å; E374-T377 PolarHBondContact O-OG1 2.92Å; E374-E378 PolarHBondContact O-N 2.82Å; E374-Y384 VanDerWaalsContact CD-OH 3.23Å; E374-Y384 VanDerWaalsContact OE1-CE2 3.24Å; E374-Y384 WeakPolarHBondContact OE1-CE2 3.43Å; E374-Y384 PolarHBondContact OE1-OH 3.23Å; E374-Y384 PolarHBondContact OE2-OH 3.11Å
375	F	89	Confident	90.9	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-26.3	170.9	-85.8	-82.9	0	0	0	114.4	L371 L372 R373 T377 P379 L381 L402 L405 V406 V409 L640	L371-F375 HydrophobicContact CD1-CE2 4.45Å; L371-F375 HydrophobicContact CG-CD2 4.43Å; L371-F375 HydrophobicContact CG-CE2 4.1Å; L371-F375 VanDerWaalsContact O-CD2 3.31Å; L371-F375 WeakPolarHBondContact O-CD2 3.46Å; L371-F375 PolarHBondContact O-N 2.53Å; L371-F375 VanDerWaalsContact O-N 3.16Å; L372-F375 WeakPolarHBondContact O-CB 3.28Å; R373-F375 PolarHBondContact O-N 3.07Å; F375-T377 VanDerWaalsContact C-N 3.31Å; F375-P379 WeakPolarHBondContact O-CA 3.41Å; F375-L381 HydrophobicContact CE1-CD1 4.25Å; F375-L381 HydrophobicContact CE1-CG 4.21Å; F375-L381 HydrophobicContact CE2-CD1 4.15Å; F375-L381 HydrophobicContact CE2-CD2 4.39Å; F375-L381 HydrophobicContact CZ-CD1 3.72Å; F375-L381 HydrophobicContact CZ-CD2 4.42Å; F375-L381 HydrophobicContact CZ-CG 4.13Å; F375-L402 HydrophobicContact CD2-CD2 4.19Å; F375-L402 HydrophobicContact CE2-CD2 3.7Å; F375-L405 HydrophobicContact CD2-CD1 4.29Å; F375-L405 HydrophobicContact CE1-CB 4Å; F375-L405 HydrophobicContact CE2-CB 4.16Å; F375-L405 HydrophobicContact CE2-CD1 4.42Å; F375-L405 HydrophobicContact CG-CD1 4.47Å; F375-L405 HydrophobicContact CZ-CB 3.75Å; F375-V406 HydrophobicContact CE2-CG1 4.25Å; F375-V406 HydrophobicContact CZ-CG1 3.95Å; F375-V409 HydrophobicContact CE1-CG2 3.65Å; F375-V409 HydrophobicContact CZ-CG2 4.32Å; F375-L640 HydrophobicContact CB-CD1 4.32Å; F375-L640 HydrophobicContact CB-CD2 3.72Å; F375-L640 WeakPolarHBondContact O-CD2 3.23Å
376	L	82.6	Confident	90.9	Very high	50 Å²	50	27.3 Å²	27.3	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-69.8	-31.9	176	-64.1	172.4	0	0	0	112	R373 E374 L636 S639 L640	R373-L376 VanDerWaalsContact O-CB 3.31Å; R373-L376 WeakPolarHBondContact O-CB 3.35Å; R373-L376 PolarHBondContact O-N 3.33Å; E374-L376 PolarHBondContact O-N 2.64Å; L376-L636 HydrophobicContact CD1-CD1 3.84Å; L376-L636 HydrophobicContact CD2-CD1 3.89Å; L376-L636 HydrophobicContact CG-CD1 3.94Å; L376-S639 WeakPolarHBondContact CD2-OG 3.32Å; L376-L640 HydrophobicContact CD2-CD2 3.76Å; L376-L640 HydrophobicContact CD2-CG 4.15Å; L376-L640 HydrophobicContact CG-CD2 4.39Å
377	T	82.7	Confident	90.9	Very high	88 Å²	88	27.3 Å²	27.3	54%	0.54	16%	0.159	S	C	.	.	H	α-helix	trans	-95.6	-37.2	-179.7	43.2	0	0	0	0	112.7	E374 F375	E374-T377 PolarHBondContact O-N 2.94Å; E374-T377 PolarHBondContact O-OG1 2.92Å; F375-T377 VanDerWaalsContact C-N 3.31Å
378	E	88	Confident	91.1	Very high	47 Å²	47	26.9 Å²	26.9	22%	0.22	16%	0.156	C	C	.	.			trans	-133	78.7	-174.9	-167.1	172.4	-153.4	0	0	109.7	E374 D380 L381 G382 S383	E374-E378 PolarHBondContact O-N 2.82Å; E378-D380 PolarHBondContact O-N 3.02Å; E378-L381 PolarHBondContact O-N 3.41Å; E378-L381 VanDerWaalsContact O-N 3.14Å; E378-G382 VanDerWaalsContact CD-N 3.28Å; E378-G382 WeakPolarHBondContact OE1-CA 3.43Å; E378-G382 PolarHBondContact OE1-N 2.9Å; E378-S383 PolarHBondContact OE1-N 3.17Å; E378-S383 WeakPolarHBondContact OE2-CB 3.15Å; E378-S383 PolarHBondContact OE2-OG 3.37Å
379	P	87.1	Confident	91.2	Very high	86 Å²	86	26.8 Å²	26.8	56%	0.558	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.3	-173.6	25.8	-35	0	0	0	113.8	F375 V409	F375-P379 WeakPolarHBondContact O-CA 3.41Å; P379-V409 WeakPolarHBondContact O-CG2 3.39Å
380	D	89.5	Confident	91.3	Very high	69 Å²	69	25.8 Å²	25.8	37%	0.369	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.9	177.6	70	-17.5	0	0	0	113.5	E378 G382 R413	E378-D380 PolarHBondContact O-N 3.02Å; D380-G382 PolarHBondContact O-N 2.79Å; D380-G382 VanDerWaalsContact O-N 3.14Å; D380-G382 PolarHBondContact OD1-N 2.93Å; D380-G382 VanDerWaalsContact OD1-N 3.14Å; D380-R413 WeakPolarHBondContact O-CD 3.46Å; D380-R413 PolarHBondContact O-NH1 3.11Å
381	L	93	Very high	91.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.			trans	49.4	35.1	-174.3	-60.4	179.7	0	0	0	113.1	L371 F375 E378 S383 Y384 M387 R413	L371-L381 HydrophobicContact CD1-CD1 4.31Å; L371-L381 HydrophobicContact CD1-CD2 3.87Å; F375-L381 HydrophobicContact CE1-CD1 4.25Å; F375-L381 HydrophobicContact CE1-CG 4.21Å; F375-L381 HydrophobicContact CE2-CD1 4.15Å; F375-L381 HydrophobicContact CE2-CD2 4.39Å; F375-L381 HydrophobicContact CZ-CD1 3.72Å; F375-L381 HydrophobicContact CZ-CD2 4.42Å; F375-L381 HydrophobicContact CZ-CG 4.13Å; E378-L381 PolarHBondContact O-N 3.41Å; E378-L381 VanDerWaalsContact O-N 3.14Å; L381-S383 PolarHBondContact O-N 2.93Å; L381-Y384 HydrophobicContact CB-CD2 4.11Å; L381-Y384 HydrophobicContact CD2-CD2 4.41Å; L381-Y384 PolarHBondContact O-N 3.25Å; L381-M387 HydrophobicContact CD1-CG 4.09Å; L381-R413 PolarHBondContact O-NH1 3.46Å
382	G	90.7	Very high	91.1	Very high	15 Å²	15	24.3 Å²	24.3	16%	0.155	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-30.2	-175.9	0	0	0	0	0	115.6	K316 E378 D380 Y384 R413	K316-G382 WeakPolarHBondContact CD-O 3.43Å; K316-G382 PolarHBondContact NZ-O 3.34Å; E378-G382 VanDerWaalsContact CD-N 3.28Å; E378-G382 WeakPolarHBondContact OE1-CA 3.43Å; E378-G382 PolarHBondContact OE1-N 2.9Å; D380-G382 PolarHBondContact O-N 2.79Å; D380-G382 VanDerWaalsContact O-N 3.14Å; D380-G382 PolarHBondContact OD1-N 2.93Å; D380-G382 VanDerWaalsContact OD1-N 3.14Å; G382-Y384 VanDerWaalsContact C-N 3.28Å; G382-Y384 PolarHBondContact O-N 2.87Å; G382-R413 VanDerWaalsContact CA-NH1 3.35Å
383	S	91.8	Very high	90.9	Very high	29 Å²	29	25.1 Å²	25.1	20%	0.203	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.1	179.2	61.8	0	0	0	0	113.7	K316 R317 E378 L381	K316-S383 CarbonylContact C-O 3.59Å; K316-S383 WeakPolarHBondContact CA-O 3.14Å; R317-S383 PolarHBondContact N-O 2.88Å; E378-S383 PolarHBondContact OE1-N 3.17Å; E378-S383 WeakPolarHBondContact OE2-CB 3.15Å; E378-S383 PolarHBondContact OE2-OG 3.37Å; L381-S383 PolarHBondContact O-N 2.93Å
384	Y	96.1	Very high	90.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.8	-178.3	-56.9	-84.4	0	0	0	112.8	R317 K364 M366 E374 L381 G382 M387 R413	R317-Y384 HydrophobicContact CB-CD1 3.87Å; R317-Y384 HydrophobicContact CB-CE1 3.99Å; R317-Y384 VanDerWaalsContact O-CA 3.31Å; R317-Y384 WeakPolarHBondContact O-CA 3.25Å; K364-Y384 WeakPolarHBondContact CD-OH 3.31Å; K364-Y384 PolarHBondContact NZ-OH 2.82Å; M366-Y384 HydrophobicContact CE-CE1 3.97Å; E374-Y384 VanDerWaalsContact CD-OH 3.23Å; E374-Y384 VanDerWaalsContact OE1-CE2 3.24Å; E374-Y384 WeakPolarHBondContact OE1-CE2 3.43Å; E374-Y384 PolarHBondContact OE1-OH 3.23Å; E374-Y384 PolarHBondContact OE2-OH 3.11Å; L381-Y384 HydrophobicContact CB-CD2 4.11Å; L381-Y384 HydrophobicContact CD2-CD2 4.41Å; L381-Y384 PolarHBondContact O-N 3.25Å; G382-Y384 VanDerWaalsContact C-N 3.28Å; G382-Y384 PolarHBondContact O-N 2.87Å; Y384-M387 HydrophobicContact CD1-SD 3.56Å; Y384-M387 VanDerWaalsContact CD1-SD 3.56Å; Y384-M387 HydrophobicContact CD2-SD 3.93Å; Y384-M387 HydrophobicContact CE1-SD 4.21Å; Y384-M387 HydrophobicContact CG-SD 3.4Å; Y384-R413 PolarHBondContact O-NH2 3.38Å
385	S	95.9	Very high	91	Very high	15 Å²	15	23.6 Å²	23.6	11%	0.105	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-29.4	168.4	55	0	0	0	0	112	Y311 R317 K417	Y311-S385 VanDerWaalsContact O-CB 3.27Å; Y311-S385 WeakPolarHBondContact O-CB 3.42Å; Y311-S385 PolarHBondContact O-OG 2.65Å; R317-S385 PolarHBondContact O-N 3.32Å; R317-S385 PolarHBondContact O-OG 3.41Å; S385-K417 PolarHBondContact O-N 2.66Å
386	V	97.6	Very high	91.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.2	176.9	-169.5	0	0	0	0	109.6	L306 Y311 I318 G319 I388 K417 L419	L306-V386 HydrophobicContact CD1-CB 4.29Å; L306-V386 HydrophobicContact CD1-CG1 3.75Å; L306-V386 HydrophobicContact CD1-CG2 4.39Å; L306-V386 HydrophobicContact CD2-CG2 4.31Å; Y311-V386 HydrophobicContact CD1-CG2 3.48Å; Y311-V386 VanDerWaalsContact CD1-CG2 3.48Å; Y311-V386 HydrophobicContact CE1-CG2 4.22Å; Y311-V386 HydrophobicContact CG-CG2 3.77Å; I318-V386 HydrophobicContact CG1-CB 4.34Å; I318-V386 HydrophobicContact CG1-CG2 4.46Å; I318-V386 HydrophobicContact CG2-CB 4.4Å; G319-V386 PolarHBondContact N-O 3.49Å; V386-I388 HydrophobicContact CG1-CG1 4.19Å; V386-K417 CarbonylContact C-O 3.48Å; V386-K417 VanDerWaalsContact CA-O 3.32Å; V386-K417 WeakPolarHBondContact CA-O 3.18Å; V386-K417 HydrophobicContact CB-CB 4.41Å; V386-K417 HydrophobicContact CG1-CB 4.05Å; V386-K417 HydrophobicContact CG2-CB 4.09Å; V386-L419 HydrophobicContact CG1-CD1 4.18Å; V386-L419 HydrophobicContact CG1-CG 4.19Å
387	M	97.6	Very high	91.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.9	169.8	-69.8	-54.7	-59.3	0	0	110.1	T321 L371 L381 Y384 L416 K417 L418 L419	T321-M387 HydrophobicContact CG2-CE 4.47Å; L371-M387 HydrophobicContact CD1-CE 3.55Å; L371-M387 HydrophobicContact CD2-CE 3.48Å; L371-M387 VanDerWaalsContact CD2-CE 3.48Å; L371-M387 HydrophobicContact CG-CE 4.16Å; L381-M387 HydrophobicContact CD1-CG 4.09Å; Y384-M387 HydrophobicContact CD1-SD 3.56Å; Y384-M387 VanDerWaalsContact CD1-SD 3.56Å; Y384-M387 HydrophobicContact CD2-SD 3.93Å; Y384-M387 HydrophobicContact CE1-SD 4.21Å; Y384-M387 HydrophobicContact CG-SD 3.4Å; M387-L416 HydrophobicContact CG-CD1 4.15Å; M387-K417 PolarHBondContact N-O 3.3Å; M387-L418 HydrophobicContact CB-CD1 4.23Å; M387-L418 WeakPolarHBondContact O-CA 3.42Å; M387-L419 PolarHBondContact O-N 2.93Å
388	I	97.2	Very high	91.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.1	178.3	-50	177.4	0	0	0	107.5	I302 P303 L306 I318 G319 C320 T321 V386 D390 L419	I302-I388 HydrophobicContact CG2-CD1 3.97Å; P303-I388 HydrophobicContact CG-CD1 3.87Å; L306-I388 HydrophobicContact CD1-CD1 3.85Å; I318-I388 HydrophobicContact CG2-CD1 4.13Å; G319-I388 PolarHBondContact O-N 3.43Å; C320-I388 CarbonylContact C-O 3.58Å; C320-I388 WeakPolarHBondContact CA-O 3.24Å; C320-I388 HydrophobicContact CB-CB 4.15Å; C320-I388 HydrophobicContact CB-CD1 4.45Å; T321-I388 PolarHBondContact N-O 3.44Å; V386-I388 HydrophobicContact CG1-CG1 4.19Å; I388-D390 HydrophobicContact CG2-CB 4.45Å; I388-D390 PolarHBondContact O-N 3.19Å; I388-L419 CarbonylContact C-O 3.53Å; I388-L419 VanDerWaalsContact CA-O 3.31Å; I388-L419 WeakPolarHBondContact CA-O 3.16Å; I388-L419 HydrophobicContact CB-CB 4.48Å; I388-L419 HydrophobicContact CD1-CD1 4.31Å; I388-L419 HydrophobicContact CG1-CB 4.19Å; I388-L419 HydrophobicContact CG1-CD1 4.09Å; I388-L419 HydrophobicContact CG1-CG 4.4Å; I388-L419 HydrophobicContact CG2-CB 4.27Å
389	I	95.8	Very high	92.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	96.2	167.8	-49.1	-56.8	0	0	0	106.6	T321 L371 T399 F403 L418 L419 I420 S421	T321-I389 HydrophobicContact CG2-CD1 3.82Å; L371-I389 HydrophobicContact CD2-CD1 3.96Å; I389-T399 HydrophobicContact CG2-CG2 3.68Å; I389-F403 HydrophobicContact CB-CE1 4.39Å; I389-F403 HydrophobicContact CG2-CD1 4.41Å; I389-F403 HydrophobicContact CG2-CE1 3.72Å; I389-L418 HydrophobicContact CG1-CD1 4.3Å; I389-L419 PolarHBondContact N-O 2.97Å; I389-I420 HydrophobicContact CB-CD1 3.77Å; I389-I420 HydrophobicContact CG1-CD1 3.78Å; I389-S421 PolarHBondContact O-N 2.93Å
390	D	93	Very high	92.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.011	9%	0.085	C	C	.	.			trans	-86	158.9	-179.3	-161.2	9.6	0	0	0	110.8	T299 T321 Q322 I388 A392 S421	T299-D390 WeakPolarHBondContact CB-OD2 3.45Å; T299-D390 WeakPolarHBondContact CG2-OD2 3.35Å; T299-D390 PolarHBondContact OG1-OD2 2.73Å; T321-D390 VanDerWaalsContact O-CB 3.31Å; T321-D390 WeakPolarHBondContact O-CB 3.48Å; T321-D390 PolarHBondContact O-N 3Å; Q322-D390 PolarHBondContact NE2-OD2 2.96Å; I388-D390 HydrophobicContact CG2-CB 4.45Å; I388-D390 PolarHBondContact O-N 3.19Å; D390-A392 PolarHBondContact O-N 3.04Å; D390-S421 WeakPolarHBondContact OD1-CB 3.46Å
391	E	89.9	Confident	92.6	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.037	7%	0.068	C	C	.	.			trans	54.8	35	177.8	-50.2	-77.6	-147	0	0	113.1	P323 H393 E394 S421 S550	P323-E391 HydrophobicContact CG-CB 3.95Å; E391-H393 PolarHBondContact O-N 2.59Å; E391-H393 IonicContact OE2-CE1 3.42Å; E391-H393 PolarHBondContact OE2-CE1 3.49Å; E391-H393 IonicContact OE2-ND1 3.85Å; E391-H393 IonicContact OE2-NE2 3.84Å; E391-E394 HydrophobicContact CB-CG 4.46Å; E391-E394 PolarHBondContact O-N 3.5Å; E391-S421 PolarHBondContact N-O 3.27Å; E391-S421 VanDerWaalsContact N-O 3.17Å; E391-S550 VanDerWaalsContact CD-OG 3.29Å; E391-S550 VanDerWaalsContact CG-OG 3.25Å; E391-S550 WeakPolarHBondContact CG-OG 3.39Å; E391-S550 WeakPolarHBondContact OE1-CA 3.39Å; E391-S550 WeakPolarHBondContact OE1-CB 3.44Å; E391-S550 PolarHBondContact OE1-N 2.98Å; E391-S550 PolarHBondContact OE1-OG 3.2Å
392	A	90.5	Very high	92.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-54.1	-22.6	-177.2	0	0	0	0	0	113.9	D390 E394 R395 F403 I420 S421 F430	D390-A392 PolarHBondContact O-N 3.04Å; A392-E394 VanDerWaalsContact C-N 3.28Å; A392-E394 PolarHBondContact O-N 3.39Å; A392-R395 VanDerWaalsContact O-CD 3.29Å; A392-R395 WeakPolarHBondContact O-CD 3.47Å; A392-R395 PolarHBondContact O-N 3.28Å; A392-F403 HydrophobicContact CB-CE1 4.17Å; A392-F403 HydrophobicContact CB-CZ 3.78Å; A392-I420 HydrophobicContact CB-CG2 3.69Å; A392-S421 WeakPolarHBondContact CB-O 3.37Å; A392-S421 PolarHBondContact N-O 3.2Å; A392-F430 HydrophobicContact CB-CE1 3.85Å; A392-F430 HydrophobicContact CB-CE2 4.47Å; A392-F430 HydrophobicContact CB-CZ 3.84Å; A392-F430 WeakPolarHBondContact O-CZ 3.49Å
393	H	87.2	Confident	92.8	Very high	19 Å²	19	11.5 Å²	11.5	9%	0.088	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-72.7	-12	176	67.4	-87.8	0	0	0	114.7	E391 R395 A423 T424 T549 Q591	E391-H393 PolarHBondContact O-N 2.59Å; E391-H393 IonicContact OE2-CE1 3.42Å; E391-H393 PolarHBondContact OE2-CE1 3.49Å; E391-H393 IonicContact OE2-ND1 3.85Å; E391-H393 IonicContact OE2-NE2 3.84Å; H393-R395 PolarHBondContact O-N 3.17Å; H393-A423 PolarHBondContact ND1-N 3.42Å; H393-T424 HydrophobicContact CB-CG2 4.04Å; H393-T424 WeakPolarHBondContact CB-OG1 3.41Å; H393-T549 VanDerWaalsContact NE2-CG2 3.25Å; H393-T549 WeakPolarHBondContact NE2-CG2 3.35Å; H393-Q591 PolarHBondContact NE2-NE2 2.99Å
394	E	85.3	Confident	92.8	Very high	42 Å²	42	10.1 Å²	10.1	20%	0.196	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.4	172	-75.4	-158.3	-140.5	0	0	112.1	P323 R324 E391 A392 T396 T549	P323-E394 HydrophobicContact CB-CB 4.39Å; P323-E394 HydrophobicContact CG-CB 4.24Å; P323-E394 HydrophobicContact CG-CG 4.02Å; P323-E394 WeakPolarHBondContact CG-OE1 3.32Å; R324-E394 IonicContact CZ-OE1 2.89Å; R324-E394 IonicContact CZ-OE2 2.68Å; R324-E394 IonicContact NE-OE1 3.03Å; R324-E394 IonicContact NE-OE2 2.72Å; R324-E394 PolarHBondContact NE-OE2 2.97Å; R324-E394 IonicContact NH2-OE1 2.79Å; R324-E394 IonicContact NH2-OE2 3.96Å; R324-E394 PolarHBondContact NH2-OE2 2.92Å; E391-E394 HydrophobicContact CB-CG 4.46Å; E391-E394 PolarHBondContact O-N 3.5Å; A392-E394 VanDerWaalsContact C-N 3.28Å; A392-E394 PolarHBondContact O-N 3.39Å; E394-T396 HydrophobicContact CB-CG2 3.98Å; E394-T396 PolarHBondContact O-N 3.48Å; E394-T549 HydrophobicContact CG-CG2 4.02Å; E394-T549 WeakPolarHBondContact OE1-CB 3.12Å; E394-T549 PolarHBondContact OE1-OG1 2.95Å
395	R	90.5	Very high	92.7	Very high	14 Å²	14	10.7 Å²	10.7	5%	0.053	5%	0.054	C	C	.	.			trans	48.4	45.7	175.6	-61	-59	-54.5	-78.9	-8.2	112.6	A392 H393 D400 P623 E624 D652	A392-R395 VanDerWaalsContact O-CD 3.29Å; A392-R395 WeakPolarHBondContact O-CD 3.47Å; A392-R395 PolarHBondContact O-N 3.28Å; H393-R395 PolarHBondContact O-N 3.17Å; R395-D400 IonicContact CZ-OD1 3.68Å; R395-D400 IonicContact CZ-OD2 3.59Å; R395-D400 IonicContact NE-OD1 3.46Å; R395-D400 PolarHBondContact NE-OD1 3.37Å; R395-D400 IonicContact NE-OD2 3.54Å; R395-D400 IonicContact NH2-OD1 3.86Å; R395-D400 PolarHBondContact NH2-OD1 3.47Å; R395-D400 IonicContact NH2-OD2 3.3Å; R395-D400 PolarHBondContact NH2-OD2 3.2Å; R395-P623 HydrophobicContact CB-CB 4.32Å; R395-E624 WeakPolarHBondContact O-CB 3.36Å; R395-E624 PolarHBondContact O-N 2.97Å; R395-E624 VanDerWaalsContact O-N 3.08Å; R395-D652 IonicContact CZ-OD2 3.33Å; R395-D652 VanDerWaalsContact CZ-OD2 3.22Å; R395-D652 IonicContact NH1-OD2 3.1Å; R395-D652 PolarHBondContact NH1-OD2 2.88Å; R395-D652 IonicContact NH2-OD2 2.76Å; R395-D652 PolarHBondContact NH2-OD2 3.04Å
396	T	91	Very high	92.6	Very high	21 Å²	21	10 Å²	10	13%	0.129	5%	0.049	C	C	.	.			trans	-71.3	157.5	176.5	83.9	0	0	0	0	110.3	P323 E394 H398 T399 D400 E624	P323-T396 HydrophobicContact CB-CG2 3.72Å; E394-T396 HydrophobicContact CB-CG2 3.98Å; E394-T396 PolarHBondContact O-N 3.48Å; T396-H398 PolarHBondContact O-N 3.37Å; T396-T399 PolarHBondContact O-N 3.24Å; T396-T399 VanDerWaalsContact O-N 3.15Å; T396-T399 PolarHBondContact OG1-N 3.39Å; T396-T399 PolarHBondContact OG1-OG1 3.02Å; T396-D400 PolarHBondContact O-N 3.23Å; T396-E624 VanDerWaalsContact CA-OE2 3.23Å; T396-E624 WeakPolarHBondContact CA-OE2 3.28Å; T396-E624 WeakPolarHBondContact CB-OE2 3.49Å
397	L	91	Very high	92.4	Very high	18 Å²	18	10.7 Å²	10.7	9%	0.094	5%	0.051	C	C	.	.	H	α-helix	trans	-54.8	-41.7	179.9	175.1	65	0	0	0	111.5	I401 E624 I625 L630 V633	L397-I401 VanDerWaalsContact O-CG1 3.3Å; L397-I401 WeakPolarHBondContact O-CG1 3.33Å; L397-I401 PolarHBondContact O-N 3.16Å; L397-E624 HydrophobicContact CB-CB 4.45Å; L397-E624 HydrophobicContact CB-CG 4.16Å; L397-E624 PolarHBondContact N-OE2 3.2Å; L397-I625 HydrophobicContact CD1-CB 3.94Å; L397-I625 HydrophobicContact CD1-CD1 4.46Å; L397-I625 HydrophobicContact CD1-CG1 3.8Å; L397-L630 HydrophobicContact CD1-CD2 3.72Å; L397-V633 HydrophobicContact CD1-CG2 3.98Å; L397-V633 HydrophobicContact CD2-CG2 3.54Å; L397-V633 HydrophobicContact CG-CG2 3.69Å
398	H	92.2	Very high	92.1	Very high	66 Å²	66	14.1 Å²	14.1	31%	0.306	7%	0.07	S	C	.	.	H	α-helix	trans	-72	-39.3	-179	-68.4	-49.8	0	0	0	112.4	D368 L372 T396 I401 L402	D368-H398 HydrophobicContact CB-CB 3.73Å; L372-H398 HydrophobicContact CD1-CB 3.57Å; L372-H398 WeakPolarHBondContact CD1-ND1 3.19Å; T396-H398 PolarHBondContact O-N 3.37Å; H398-I401 PolarHBondContact O-N 2.98Å; H398-L402 WeakPolarHBondContact O-CB 3.42Å; H398-L402 VanDerWaalsContact O-CG 3.3Å; H398-L402 WeakPolarHBondContact O-CG 3.15Å; H398-L402 PolarHBondContact O-N 3.23Å
399	T	92.6	Very high	91.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-60.9	-44.7	177.2	-35.1	0	0	0	0	111.3	D368 I389 T396 I401 L402 F403	D368-T399 PolarHBondContact OD2-OG1 3.29Å; I389-T399 HydrophobicContact CG2-CG2 3.68Å; T396-T399 PolarHBondContact O-N 3.24Å; T396-T399 VanDerWaalsContact O-N 3.15Å; T396-T399 PolarHBondContact OG1-N 3.39Å; T396-T399 PolarHBondContact OG1-OG1 3.02Å; T399-I401 VanDerWaalsContact C-N 3.33Å; T399-I401 PolarHBondContact O-N 3.45Å; T399-L402 WeakPolarHBondContact O-CB 3.09Å; T399-L402 PolarHBondContact O-N 3.11Å; T399-L402 VanDerWaalsContact O-N 3.16Å; T399-F403 HydrophobicContact CG2-CE1 3.8Å; T399-F403 HydrophobicContact CG2-CE2 4.12Å; T399-F403 HydrophobicContact CG2-CZ 3.51Å; T399-F403 WeakPolarHBondContact O-CG 3.47Å; T399-F403 PolarHBondContact O-N 3.12Å
400	D	92.4	Very high	91.8	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-37.3	-178.3	-82.3	17.9	0	0	0	112.4	R395 T396 I625	R395-D400 IonicContact CZ-OD1 3.68Å; R395-D400 IonicContact CZ-OD2 3.59Å; R395-D400 IonicContact NE-OD1 3.46Å; R395-D400 PolarHBondContact NE-OD1 3.37Å; R395-D400 IonicContact NE-OD2 3.54Å; R395-D400 IonicContact NH2-OD1 3.86Å; R395-D400 PolarHBondContact NH2-OD1 3.47Å; R395-D400 IonicContact NH2-OD2 3.3Å; R395-D400 PolarHBondContact NH2-OD2 3.2Å; T396-D400 PolarHBondContact O-N 3.23Å; D400-I625 HydrophobicContact CB-CB 4.48Å; D400-I625 HydrophobicContact CB-CD1 4.37Å; D400-I625 WeakPolarHBondContact OD2-CG2 3.09Å
401	I	93.2	Very high	91.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.5	-40.1	173.8	-61.4	-58.8	0	0	0	111.3	L372 L397 H398 T399 F403 G404 L405 I625 V633 L637 Y650	L372-I401 HydrophobicContact CD2-CB 4.39Å; L372-I401 HydrophobicContact CD2-CG2 3.84Å; L397-I401 VanDerWaalsContact O-CG1 3.3Å; L397-I401 WeakPolarHBondContact O-CG1 3.33Å; L397-I401 PolarHBondContact O-N 3.16Å; H398-I401 PolarHBondContact O-N 2.98Å; T399-I401 VanDerWaalsContact C-N 3.33Å; T399-I401 PolarHBondContact O-N 3.45Å; I401-F403 VanDerWaalsContact C-N 3.26Å; I401-F403 PolarHBondContact O-N 3.5Å; I401-G404 PolarHBondContact O-N 3.42Å; I401-L405 HydrophobicContact CG2-CD1 4.02Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.27Å; I401-L405 PolarHBondContact O-N 3.24Å; I401-I625 HydrophobicContact CD1-CD1 3.83Å; I401-V633 HydrophobicContact CD1-CG1 3.53Å; I401-V633 HydrophobicContact CG1-CG1 3.57Å; I401-V633 HydrophobicContact CG1-CG2 4.44Å; I401-L637 HydrophobicContact CD1-CD1 4.21Å; I401-L637 HydrophobicContact CG2-CD2 3.78Å; I401-L637 HydrophobicContact CG2-CG 4.41Å; I401-Y650 HydrophobicContact CD1-CD1 4.12Å; I401-Y650 HydrophobicContact CD1-CE1 3.66Å
402	L	93.5	Very high	91.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-39.9	176.2	-79.8	171.8	0	0	0	111.7	D368 L371 L372 F375 H398 T399 G404 L405 V406	D368-L402 HydrophobicContact CB-CD1 3.68Å; L371-L402 HydrophobicContact CB-CD1 4.36Å; L371-L402 HydrophobicContact CB-CD2 4.15Å; L371-L402 HydrophobicContact CD2-CD1 4.06Å; L371-L402 HydrophobicContact CD2-CD2 3.65Å; L371-L402 HydrophobicContact CD2-CG 4.48Å; L371-L402 HydrophobicContact CG-CD2 3.74Å; L372-L402 HydrophobicContact CD1-CG 4.43Å; L372-L402 HydrophobicContact CD2-CD2 3.47Å; L372-L402 VanDerWaalsContact CD2-CD2 3.47Å; L372-L402 HydrophobicContact CD2-CG 3.71Å; L372-L402 HydrophobicContact CG-CD1 4.38Å; L372-L402 HydrophobicContact CG-CD2 3.65Å; L372-L402 HydrophobicContact CG-CG 3.7Å; F375-L402 HydrophobicContact CD2-CD2 4.19Å; F375-L402 HydrophobicContact CE2-CD2 3.7Å; H398-L402 WeakPolarHBondContact O-CB 3.42Å; H398-L402 VanDerWaalsContact O-CG 3.3Å; H398-L402 WeakPolarHBondContact O-CG 3.15Å; H398-L402 PolarHBondContact O-N 3.23Å; T399-L402 WeakPolarHBondContact O-CB 3.09Å; T399-L402 PolarHBondContact O-N 3.11Å; T399-L402 VanDerWaalsContact O-N 3.16Å; L402-G404 VanDerWaalsContact C-N 3.34Å; L402-G404 PolarHBondContact O-N 2.94Å; L402-L405 PolarHBondContact O-N 3.32Å; L402-L405 VanDerWaalsContact O-N 3.14Å; L402-V406 WeakPolarHBondContact O-CG1 3.49Å; L402-V406 VanDerWaalsContact O-CG2 3.23Å; L402-V406 WeakPolarHBondContact O-CG2 3.41Å; L402-V406 PolarHBondContact O-N 2.98Å
403	F	94.4	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53.9	-47.7	-179.1	-66.8	-33.2	0	0	0	112.9	I389 A392 T399 I401 K407 I420 F430 F433 F434 M651	I389-F403 HydrophobicContact CB-CE1 4.39Å; I389-F403 HydrophobicContact CG2-CD1 4.41Å; I389-F403 HydrophobicContact CG2-CE1 3.72Å; A392-F403 HydrophobicContact CB-CE1 4.17Å; A392-F403 HydrophobicContact CB-CZ 3.78Å; T399-F403 HydrophobicContact CG2-CE1 3.8Å; T399-F403 HydrophobicContact CG2-CE2 4.12Å; T399-F403 HydrophobicContact CG2-CZ 3.51Å; T399-F403 WeakPolarHBondContact O-CG 3.47Å; T399-F403 PolarHBondContact O-N 3.12Å; I401-F403 VanDerWaalsContact C-N 3.26Å; I401-F403 PolarHBondContact O-N 3.5Å; F403-K407 WeakPolarHBondContact O-CB 3.33Å; F403-K407 PolarHBondContact O-N 3.35Å; F403-K407 VanDerWaalsContact O-N 3.09Å; F403-I420 HydrophobicContact CD1-CD1 4.42Å; F403-I420 HydrophobicContact CE1-CD1 4.37Å; F403-I420 HydrophobicContact CE1-CG2 4.29Å; F403-F430 AromaticContact CE2-CE1 3.82Å; F403-F430 HydrophobicContact CE2-CE1 3.82Å; F403-F430 HydrophobicContact CZ-CD1 4.34Å; F403-F430 AromaticContact CZ-CE1 3.67Å; F403-F430 HydrophobicContact CZ-CE1 3.67Å; F403-F433 HydrophobicContact CB-CD1 4.44Å; F403-F433 HydrophobicContact CB-CE1 3.67Å; F403-F433 HydrophobicContact CB-CZ 4.16Å; F403-F434 HydrophobicContact CB-CZ 3.93Å; F403-F434 HydrophobicContact CD1-CE2 4.03Å; F403-F434 AromaticContact CD1-CZ 3.68Å; F403-F434 HydrophobicContact CD1-CZ 3.68Å; F403-F434 HydrophobicContact CG-CE2 4.36Å; F403-F434 HydrophobicContact CG-CZ 4.04Å; F403-M651 HydrophobicContact CD2-CE 3.71Å; F403-M651 HydrophobicContact CD2-SD 4.29Å; F403-M651 HydrophobicContact CE2-CE 3.93Å; F403-M651 HydrophobicContact CE2-SD 4.22Å; F403-M651 HydrophobicContact CG-CE 4.33Å
404	G	92.6	Very high	91.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-44.9	176.5	0	0	0	0	0	112.2	I401 L402 K407 D408	I401-G404 PolarHBondContact O-N 3.42Å; L402-G404 VanDerWaalsContact C-N 3.34Å; L402-G404 PolarHBondContact O-N 2.94Å; G404-K407 PolarHBondContact O-N 3.13Å; G404-D408 PolarHBondContact O-N 3.36Å
405	L	93	Very high	92.3	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-47.4	-178.9	-65.5	175.7	0	0	0	113	L372 F375 I401 L402 K407 D408 V409 L640 I642 F648	L372-L405 HydrophobicContact CD2-CD1 3.5Å; L372-L405 VanDerWaalsContact CD2-CD1 3.5Å; F375-L405 HydrophobicContact CD2-CD1 4.29Å; F375-L405 HydrophobicContact CE1-CB 4Å; F375-L405 HydrophobicContact CE2-CB 4.16Å; F375-L405 HydrophobicContact CE2-CD1 4.42Å; F375-L405 HydrophobicContact CG-CD1 4.47Å; F375-L405 HydrophobicContact CZ-CB 3.75Å; I401-L405 HydrophobicContact CG2-CD1 4.02Å; I401-L405 HydrophobicContact CG2-CG 4.49Å; I401-L405 WeakPolarHBondContact O-CG 3.27Å; I401-L405 PolarHBondContact O-N 3.24Å; L402-L405 PolarHBondContact O-N 3.32Å; L402-L405 VanDerWaalsContact O-N 3.14Å; L405-K407 VanDerWaalsContact C-N 3.3Å; L405-K407 PolarHBondContact O-N 3.29Å; L405-D408 PolarHBondContact O-N 3.06Å; L405-V409 WeakPolarHBondContact O-CG2 3.08Å; L405-V409 PolarHBondContact O-N 2.8Å; L405-L640 HydrophobicContact CD1-CD1 3.76Å; L405-L640 HydrophobicContact CD2-CD1 4.03Å; L405-I642 HydrophobicContact CD2-CD1 3.43Å; L405-I642 VanDerWaalsContact CD2-CD1 3.43Å; L405-F648 HydrophobicContact CD2-CE2 4.17Å; L405-F648 HydrophobicContact CD2-CZ 4.28Å; L405-F648 HydrophobicContact CG-CZ 4.23Å
406	V	94.1	Very high	92.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-29.3	-179.7	-59.5	0	0	0	0	111.6	F375 L402 V409 A410 L418 F434	F375-V406 HydrophobicContact CE2-CG1 4.25Å; F375-V406 HydrophobicContact CZ-CG1 3.95Å; L402-V406 WeakPolarHBondContact O-CG1 3.49Å; L402-V406 VanDerWaalsContact O-CG2 3.23Å; L402-V406 WeakPolarHBondContact O-CG2 3.41Å; L402-V406 PolarHBondContact O-N 2.98Å; V406-V409 PolarHBondContact O-N 2.97Å; V406-A410 VanDerWaalsContact O-CB 3.25Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 2.95Å; V406-L418 HydrophobicContact CB-CD1 4.14Å; V406-L418 HydrophobicContact CB-CD2 4.33Å; V406-L418 HydrophobicContact CG2-CD1 3.88Å; V406-L418 HydrophobicContact CG2-CD2 3.78Å; V406-F434 HydrophobicContact CG2-CE1 4.28Å
407	K	93.5	Very high	92.8	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.057	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-45.6	172.5	-176.1	177.8	177	-172.5	0	110.9	F403 G404 L405 A410 R411 F433 F434 D435 D649	F403-K407 WeakPolarHBondContact O-CB 3.33Å; F403-K407 PolarHBondContact O-N 3.35Å; F403-K407 VanDerWaalsContact O-N 3.09Å; G404-K407 PolarHBondContact O-N 3.13Å; L405-K407 VanDerWaalsContact C-N 3.3Å; L405-K407 PolarHBondContact O-N 3.29Å; K407-A410 PolarHBondContact O-N 2.93Å; K407-R411 WeakPolarHBondContact O-CG 3.49Å; K407-R411 PolarHBondContact O-N 3.44Å; K407-F433 HydrophobicContact CD-CE1 3.94Å; K407-F433 HydrophobicContact CD-CZ 4.13Å; K407-F433 VanDerWaalsContact CE-O 3.24Å; K407-F433 WeakPolarHBondContact CE-O 3.48Å; K407-F433 PolarHBondContact NZ-O 3.28Å; K407-F434 HydrophobicContact CB-CD1 4.27Å; K407-F434 HydrophobicContact CB-CE1 4.01Å; K407-F434 HydrophobicContact CD-CD1 4.46Å; K407-F434 HydrophobicContact CG-CD1 4.33Å; K407-D435 VanDerWaalsContact CE-OD1 3.24Å; K407-D435 WeakPolarHBondContact CE-OD1 3.5Å; K407-D435 WeakPolarHBondContact CE-OD2 3.2Å; K407-D435 IonicContact NZ-OD1 3.97Å; K407-D435 PolarHBondContact NZ-OD1 2.73Å; K407-D649 WeakPolarHBondContact CD-OD2 3.4Å; K407-D649 WeakPolarHBondContact CE-OD2 3.29Å; K407-D649 IonicContact NZ-OD1 2.75Å; K407-D649 IonicContact NZ-OD2 3.01Å; K407-D649 PolarHBondContact NZ-OD2 3.5Å
408	D	91.3	Very high	93.1	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	17%	0.172	S	C	.	.	H	α-helix	trans	-63.6	-42.6	176.1	-74.9	-19.1	0	0	0	112.1	G404 L405 R411 F412	G404-D408 PolarHBondContact O-N 3.36Å; L405-D408 PolarHBondContact O-N 3.06Å; D408-R411 PolarHBondContact O-N 2.85Å; D408-F412 PolarHBondContact O-N 3.46Å; D408-F412 VanDerWaalsContact O-N 3.15Å
409	V	92.7	Very high	93.3	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-43.5	174.3	175.3	0	0	0	0	111.4	F375 P379 L405 V406 R411 F412 R413 L416	F375-V409 HydrophobicContact CE1-CG2 3.65Å; F375-V409 HydrophobicContact CZ-CG2 4.32Å; P379-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 WeakPolarHBondContact O-CG2 3.08Å; L405-V409 PolarHBondContact O-N 2.8Å; V406-V409 PolarHBondContact O-N 2.97Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 2.94Å; V409-F412 CarbonylContact O-C 3.58Å; V409-F412 PolarHBondContact O-N 2.74Å; V409-F412 VanDerWaalsContact O-N 3.09Å; V409-R413 WeakPolarHBondContact O-CB 3.35Å; V409-R413 PolarHBondContact O-N 3.27Å; V409-L416 HydrophobicContact CG1-CD2 3.74Å
410	A	92.9	Very high	93.4	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-39.3	177.8	0	0	0	0	0	111.5	Q286 V406 K407 F412 R413 L418	Q286-A410 PolarHBondContact NE2-O 3.4Å; V406-A410 VanDerWaalsContact O-CB 3.25Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 2.95Å; K407-A410 PolarHBondContact O-N 2.93Å; A410-F412 VanDerWaalsContact C-N 3.28Å; A410-F412 PolarHBondContact O-N 3.42Å; A410-R413 CarbonylContact O-C 3.57Å; A410-R413 PolarHBondContact O-N 2.9Å; A410-L418 HydrophobicContact CB-CD2 4.42Å
411	R	90.7	Very high	93.4	Very high	137 Å²	137	31.8 Å²	31.8	52%	0.517	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-35	174.4	-74.4	171.4	169.9	-179.2	-6.1	112.7	K407 D408 V409 D435	K407-R411 WeakPolarHBondContact O-CG 3.49Å; K407-R411 PolarHBondContact O-N 3.44Å; D408-R411 PolarHBondContact O-N 2.85Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 2.94Å; R411-D435 IonicContact CZ-OD2 3.11Å; R411-D435 IonicContact NE-OD2 3.78Å; R411-D435 PolarHBondContact NE-OD2 3.14Å; R411-D435 VanDerWaalsContact NE-OD2 3.11Å; R411-D435 VanDerWaalsContact NH2-CG 3.32Å; R411-D435 IonicContact NH2-OD1 2.65Å; R411-D435 PolarHBondContact NH2-OD1 3Å; R411-D435 IonicContact NH2-OD2 2.71Å; R411-D435 PolarHBondContact NH2-OD2 3.39Å
412	F	90.8	Very high	93.1	Very high	170 Å²	170	31.8 Å²	31.8	75%	0.746	16%	0.157	S	C	*	.	H	α-helix	trans	-82.1	-38.2	178.1	-179.4	-109.3	0	0	0	113.3	D408 V409 A410	D408-F412 PolarHBondContact O-N 3.46Å; D408-F412 VanDerWaalsContact O-N 3.15Å; V409-F412 CarbonylContact O-C 3.58Å; V409-F412 PolarHBondContact O-N 2.74Å; V409-F412 VanDerWaalsContact O-N 3.09Å; A410-F412 VanDerWaalsContact C-N 3.28Å; A410-F412 PolarHBondContact O-N 3.42Å
413	R	93.1	Very high	92.3	Very high	18 Å²	18	32.4 Å²	32.4	7%	0.068	16%	0.163	C	C	.	.			trans	-109	88.7	-177.5	-78.3	-168	63.8	-160.5	-4.1	111.4	Q286 D380 L381 G382 Y384 V409 A410 D415 L416	Q286-R413 PolarHBondContact NE2-O 3.32Å; D380-R413 WeakPolarHBondContact O-CD 3.46Å; D380-R413 PolarHBondContact O-NH1 3.11Å; L381-R413 PolarHBondContact O-NH1 3.46Å; G382-R413 VanDerWaalsContact CA-NH1 3.35Å; Y384-R413 PolarHBondContact O-NH2 3.38Å; V409-R413 WeakPolarHBondContact O-CB 3.35Å; V409-R413 PolarHBondContact O-N 3.27Å; A410-R413 CarbonylContact O-C 3.57Å; A410-R413 PolarHBondContact O-N 2.9Å; R413-D415 WeakPolarHBondContact CB-OD1 3.21Å; R413-D415 IonicContact CZ-OD1 3.81Å; R413-D415 IonicContact CZ-OD2 3.93Å; R413-D415 IonicContact NE-OD1 3.82Å; R413-D415 PolarHBondContact NE-OD1 2.87Å; R413-D415 VanDerWaalsContact NE-OD1 3.11Å; R413-D415 IonicContact NE-OD2 3.31Å; R413-D415 PolarHBondContact NE-OD2 3.19Å; R413-D415 IonicContact NH2-OD1 3.4Å; R413-D415 IonicContact NH2-OD2 3.16Å; R413-D415 PolarHBondContact NH2-OD2 3.41Å; R413-D415 PolarHBondContact O-N 3.45Å; R413-D415 VanDerWaalsContact O-N 3.14Å; R413-L416 HydrophobicContact CB-CB 4Å; R413-L416 WeakPolarHBondContact O-CB 3.08Å; R413-L416 PolarHBondContact O-N 3.16Å; R413-L416 VanDerWaalsContact O-N 3.07Å
414	S	89.4	Confident	91	Very high	101 Å²	101	33.2 Å²	33.2	71%	0.706	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.6	175.2	58.1	0	0	0	0	114.1
415	D	92.4	Very high	89.3	Confident	89 Å²	89	39.8 Å²	39.8	48%	0.476	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.6	175.5	68.6	-57.9	0	0	0	113.4	R413	R413-D415 WeakPolarHBondContact CB-OD1 3.21Å; R413-D415 IonicContact CZ-OD1 3.81Å; R413-D415 IonicContact CZ-OD2 3.93Å; R413-D415 IonicContact NE-OD1 3.82Å; R413-D415 PolarHBondContact NE-OD1 2.87Å; R413-D415 VanDerWaalsContact NE-OD1 3.11Å; R413-D415 IonicContact NE-OD2 3.31Å; R413-D415 PolarHBondContact NE-OD2 3.19Å; R413-D415 IonicContact NH2-OD1 3.4Å; R413-D415 IonicContact NH2-OD2 3.16Å; R413-D415 PolarHBondContact NH2-OD2 3.41Å; R413-D415 PolarHBondContact O-N 3.45Å; R413-D415 VanDerWaalsContact O-N 3.14Å
416	L	95.3	Very high	88.3	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.209	C	C	.	.			trans	-78	126	-179.9	-176.8	70.1	0	0	0	110.3	Q286 M387 V409 R413	Q286-L416 WeakPolarHBondContact CG-O 3.29Å; Q286-L416 PolarHBondContact NE2-O 2.79Å; M387-L416 HydrophobicContact CG-CD1 4.15Å; V409-L416 HydrophobicContact CG1-CD2 3.74Å; R413-L416 HydrophobicContact CB-CB 4Å; R413-L416 WeakPolarHBondContact O-CB 3.08Å; R413-L416 PolarHBondContact O-N 3.16Å; R413-L416 VanDerWaalsContact O-N 3.07Å
417	K	97.4	Very high	87.6	Confident	30 Å²	30	41 Å²	41	13%	0.13	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.2	169	-60.4	-61.3	-171.1	163.5	0	110.6	I282 A283 H285 Q286 Y311 S385 V386 M387	I282-K417 HydrophobicContact CG2-CB 4.48Å; I282-K417 HydrophobicContact CG2-CG 4.34Å; I282-K417 WeakPolarHBondContact O-CD 3.19Å; I282-K417 WeakPolarHBondContact O-CE 3.39Å; I282-K417 PolarHBondContact O-NZ 3.18Å; A283-K417 PolarHBondContact O-NZ 2.8Å; H285-K417 PolarHBondContact O-NZ 3Å; Q286-K417 WeakPolarHBondContact O-CA 3.33Å; Y311-K417 HydrophobicContact CE1-CG 3.86Å; S385-K417 PolarHBondContact O-N 2.66Å; V386-K417 CarbonylContact C-O 3.48Å; V386-K417 VanDerWaalsContact CA-O 3.32Å; V386-K417 WeakPolarHBondContact CA-O 3.18Å; V386-K417 HydrophobicContact CB-CB 4.41Å; V386-K417 HydrophobicContact CG1-CB 4.05Å; V386-K417 HydrophobicContact CG2-CB 4.09Å; M387-K417 PolarHBondContact N-O 3.3Å
418	L	97.3	Very high	87.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.6	179.9	178.6	64.1	0	0	0	110.1	Q286 V287 L288 M387 I389 V406 A410 I420 F434	Q286-L418 PolarHBondContact O-N 2.95Å; V287-L418 VanDerWaalsContact CA-O 3.29Å; V287-L418 WeakPolarHBondContact CA-O 3.22Å; V287-L418 HydrophobicContact CG1-CB 4.33Å; V287-L418 HydrophobicContact CG1-CD2 4.1Å; V287-L418 HydrophobicContact CG1-CG 4.27Å; V287-L418 HydrophobicContact CG2-CB 4.23Å; V287-L418 HydrophobicContact CG2-CD2 4.33Å; L288-L418 PolarHBondContact N-O 2.8Å; M387-L418 HydrophobicContact CB-CD1 4.23Å; M387-L418 WeakPolarHBondContact O-CA 3.42Å; I389-L418 HydrophobicContact CG1-CD1 4.3Å; V406-L418 HydrophobicContact CB-CD1 4.14Å; V406-L418 HydrophobicContact CB-CD2 4.33Å; V406-L418 HydrophobicContact CG2-CD1 3.88Å; V406-L418 HydrophobicContact CG2-CD2 3.78Å; A410-L418 HydrophobicContact CB-CD2 4.42Å; L418-I420 HydrophobicContact CD1-CD1 3.93Å; L418-I420 HydrophobicContact CD2-CD1 4.27Å; L418-I420 HydrophobicContact CG-CD1 3.98Å; L418-I420 HydrophobicContact CG-CG1 4.43Å; L418-F434 HydrophobicContact CD2-CD1 4.03Å; L418-F434 HydrophobicContact CD2-CE1 3.7Å
419	L	96.6	Very high	87.1	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.2	177.9	-50.3	-176.8	0	0	0	109.2	I282 L288 I290 I302 L306 V386 M387 I388 I389	I282-L419 HydrophobicContact CD1-CD1 3.83Å; I282-L419 HydrophobicContact CD1-CD2 4.25Å; I282-L419 HydrophobicContact CG1-CD1 4.33Å; I282-L419 HydrophobicContact CG1-CD2 3.83Å; I282-L419 HydrophobicContact CG2-CD2 4.24Å; L288-L419 HydrophobicContact CB-CD2 3.79Å; L288-L419 HydrophobicContact CD2-CD2 4.43Å; L288-L419 WeakPolarHBondContact O-CA 3.45Å; I290-L419 HydrophobicContact CD1-CB 4.19Å; I290-L419 HydrophobicContact CD1-CD1 4.16Å; I290-L419 HydrophobicContact CD1-CD2 4.47Å; I302-L419 HydrophobicContact CG2-CD1 3.82Å; L306-L419 HydrophobicContact CD1-CD1 3.95Å; V386-L419 HydrophobicContact CG1-CD1 4.18Å; V386-L419 HydrophobicContact CG1-CG 4.19Å; M387-L419 PolarHBondContact O-N 2.93Å; I388-L419 CarbonylContact C-O 3.53Å; I388-L419 VanDerWaalsContact CA-O 3.31Å; I388-L419 WeakPolarHBondContact CA-O 3.16Å; I388-L419 HydrophobicContact CB-CB 4.48Å; I388-L419 HydrophobicContact CD1-CD1 4.31Å; I388-L419 HydrophobicContact CG1-CB 4.19Å; I388-L419 HydrophobicContact CG1-CD1 4.09Å; I388-L419 HydrophobicContact CG1-CG 4.4Å; I388-L419 HydrophobicContact CG2-CB 4.27Å; I389-L419 PolarHBondContact N-O 2.97Å
420	I	95.3	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.4	176.5	-52.2	-61.4	0	0	0	107.3	L288 I289 I290 I389 A392 F403 L418 F430 F434	L288-I420 PolarHBondContact O-N 3.27Å; I289-I420 CarbonylContact C-O 3.52Å; I289-I420 WeakPolarHBondContact CA-O 3.41Å; I289-I420 HydrophobicContact CD1-CB 3.68Å; I289-I420 HydrophobicContact CD1-CG1 3.85Å; I289-I420 HydrophobicContact CD1-CG2 4.33Å; I290-I420 PolarHBondContact N-O 2.78Å; I389-I420 HydrophobicContact CB-CD1 3.77Å; I389-I420 HydrophobicContact CG1-CD1 3.78Å; A392-I420 HydrophobicContact CB-CG2 3.69Å; F403-I420 HydrophobicContact CD1-CD1 4.42Å; F403-I420 HydrophobicContact CE1-CD1 4.37Å; F403-I420 HydrophobicContact CE1-CG2 4.29Å; L418-I420 HydrophobicContact CD1-CD1 3.93Å; L418-I420 HydrophobicContact CD2-CD1 4.27Å; L418-I420 HydrophobicContact CG-CD1 3.98Å; L418-I420 HydrophobicContact CG-CG1 4.43Å; I420-F430 HydrophobicContact CG2-CD1 4.08Å; I420-F430 HydrophobicContact CG2-CG 4.4Å; I420-F434 HydrophobicContact CB-CE2 4.48Å; I420-F434 HydrophobicContact CD1-CE1 4.31Å; I420-F434 HydrophobicContact CD1-CE2 3.83Å; I420-F434 HydrophobicContact CD1-CZ 3.66Å; I420-F434 HydrophobicContact CG1-CD2 3.92Å; I420-F434 HydrophobicContact CG1-CE1 4.48Å; I420-F434 HydrophobicContact CG1-CE2 3.57Å; I420-F434 HydrophobicContact CG1-CZ 3.88Å; I420-F434 HydrophobicContact CG2-CE2 4.32Å
421	S	91.8	Very high	86.9	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.9	-179	-162.3	0	0	0	0	111.7	I290 K298 I389 D390 E391 A392	I290-S421 WeakPolarHBondContact O-CA 3.2Å; I290-S421 PolarHBondContact O-OG 2.71Å; K298-S421 WeakPolarHBondContact CD-OG 3.2Å; K298-S421 WeakPolarHBondContact CE-OG 3.28Å; I389-S421 PolarHBondContact O-N 2.93Å; D390-S421 WeakPolarHBondContact OD1-CB 3.46Å; E391-S421 PolarHBondContact N-O 3.27Å; E391-S421 VanDerWaalsContact N-O 3.17Å; A392-S421 WeakPolarHBondContact CB-O 3.37Å; A392-S421 PolarHBondContact N-O 3.2Å
422	S	87.2	Confident	87	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.7	176.2	-179.5	0	0	0	0	110.5	I290 E291 G292 T424	I290-S422 PolarHBondContact O-N 3.14Å; E291-S422 WeakPolarHBondContact CA-O 3.35Å; G292-S422 PolarHBondContact N-O 3.26Å; S422-T424 PolarHBondContact OG-N 3.05Å; S422-T424 PolarHBondContact OG-OG1 3.14Å
423	A	76.7	Confident	87.1	Confident	14 Å²	14	37.1 Å²	37.1	12%	0.116	20%	0.202	C	C	.	.	S	Bend	trans	-106.4	-3.5	174.2	0	0	0	0	0	113.5	G292 T294 H393	G292-A423 VanDerWaalsContact O-CA 3.24Å; G292-A423 WeakPolarHBondContact O-CA 3.42Å; G292-A423 WeakPolarHBondContact O-CB 3.37Å; T294-A423 HydrophobicContact CG2-CB 4.1Å; H393-A423 PolarHBondContact ND1-N 3.42Å
424	T	67.4	Low	87.2	Confident	16 Å²	16	36.6 Å²	36.6	10%	0.098	20%	0.2	C	C	.	.	S	Bend	trans	-112.5	162	-177.8	62.1	0	0	0	0	112.1	H393 S422 D426 A587 Q591	H393-T424 HydrophobicContact CB-CG2 4.04Å; H393-T424 WeakPolarHBondContact CB-OG1 3.41Å; S422-T424 PolarHBondContact OG-N 3.05Å; S422-T424 PolarHBondContact OG-OG1 3.14Å; T424-D426 PolarHBondContact O-N 3.32Å; T424-A587 HydrophobicContact CG2-CB 4.47Å; T424-Q591 HydrophobicContact CG2-CG 4.25Å
425	L	56.6	Low	87.3	Confident	138 Å²	138	36.2 Å²	36.2	72%	0.723	19%	0.19	S	C	*	.	S	Bend	trans	-59.8	-3.7	-178.1	-82.5	157.3	0	0	0	115.7	A427	L425-A427 PolarHBondContact O-N 3.16Å
426	D	71.8	Confident	87.2	Confident	40 Å²	40	37.9 Å²	37.9	21%	0.214	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	16.7	-178.2	-151.7	19.3	0	0	0	113.3	T424 E428 K429 F430	T424-D426 PolarHBondContact O-N 3.32Å; D426-E428 PolarHBondContact O-N 3.16Å; D426-K429 PolarHBondContact O-N 3.04Å; D426-K429 WeakPolarHBondContact OD1-CB 3.38Å; D426-K429 WeakPolarHBondContact OD2-CD 3.47Å; D426-F430 HydrophobicContact CB-CE2 4.18Å; D426-F430 WeakPolarHBondContact O-CD2 3.21Å; D426-F430 PolarHBondContact O-N 3.28Å
427	A	79.6	Confident	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-30.3	178.8	0	0	0	0	0	112.6	I289 E291 L425 A431 V439	I289-A427 HydrophobicContact CG2-CB 4.29Å; E291-A427 HydrophobicContact CB-CB 4.05Å; E291-A427 HydrophobicContact CG-CB 4.17Å; L425-A427 PolarHBondContact O-N 3.16Å; A427-A431 VanDerWaalsContact O-CB 3.3Å; A427-A431 WeakPolarHBondContact O-CB 3.45Å; A427-A431 PolarHBondContact O-N 2.86Å; A427-V439 HydrophobicContact CB-CG1 3.78Å; A427-V439 HydrophobicContact CB-CG2 4.27Å
428	E	85.7	Confident	87	Confident	134 Å²	134	39.1 Å²	39.1	63%	0.626	21%	0.211	S	C	*	.	H	α-helix	trans	-67.1	-43.2	175.3	-69.3	-178.4	-173.8	0	0	112	D426 F430 A431 T432	D426-E428 PolarHBondContact O-N 3.16Å; E428-F430 VanDerWaalsContact C-N 3.33Å; E428-F430 PolarHBondContact O-N 2.76Å; E428-A431 WeakPolarHBondContact O-CB 3.34Å; E428-A431 PolarHBondContact O-N 2.9Å; E428-T432 PolarHBondContact O-N 3.14Å; E428-T432 PolarHBondContact O-OG1 3.21Å
429	K	88.8	Confident	86.8	Confident	70 Å²	70	41.3 Å²	41.3	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-40.7	176.7	-172.8	176.7	-176.5	172.2	0	111.5	D426 F433 D652	D426-K429 PolarHBondContact O-N 3.04Å; D426-K429 WeakPolarHBondContact OD1-CB 3.38Å; D426-K429 WeakPolarHBondContact OD2-CD 3.47Å; K429-F433 WeakPolarHBondContact O-CB 3.27Å; K429-F433 PolarHBondContact O-N 3.43Å; K429-D652 WeakPolarHBondContact CE-OD2 3.38Å; K429-D652 IonicContact NZ-OD1 3.22Å; K429-D652 PolarHBondContact NZ-OD1 3Å; K429-D652 IonicContact NZ-OD2 3.72Å; K429-D652 PolarHBondContact NZ-OD2 3.06Å
430	F	90.9	Very high	86.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-45.7	172.5	-68	-67.5	0	0	0	111.5	I289 A392 F403 I420 D426 E428 F433 F434 M651	I289-F430 HydrophobicContact CD1-CB 4.06Å; I289-F430 HydrophobicContact CG1-CB 4.35Å; I289-F430 HydrophobicContact CG2-CB 3.99Å; A392-F430 HydrophobicContact CB-CE1 3.85Å; A392-F430 HydrophobicContact CB-CE2 4.47Å; A392-F430 HydrophobicContact CB-CZ 3.84Å; A392-F430 WeakPolarHBondContact O-CZ 3.49Å; F403-F430 AromaticContact CE2-CE1 3.82Å; F403-F430 HydrophobicContact CE2-CE1 3.82Å; F403-F430 HydrophobicContact CZ-CD1 4.34Å; F403-F430 AromaticContact CZ-CE1 3.67Å; F403-F430 HydrophobicContact CZ-CE1 3.67Å; I420-F430 HydrophobicContact CG2-CD1 4.08Å; I420-F430 HydrophobicContact CG2-CG 4.4Å; D426-F430 HydrophobicContact CB-CE2 4.18Å; D426-F430 WeakPolarHBondContact O-CD2 3.21Å; D426-F430 PolarHBondContact O-N 3.28Å; E428-F430 VanDerWaalsContact C-N 3.33Å; E428-F430 PolarHBondContact O-N 2.76Å; F430-F433 PolarHBondContact O-N 3.1Å; F430-F434 VanDerWaalsContact O-CD2 3.27Å; F430-F434 WeakPolarHBondContact O-CD2 3.38Å; F430-F434 PolarHBondContact O-N 2.73Å; F430-M651 HydrophobicContact CD1-CE 3.34Å; F430-M651 HydrophobicContact CD1-SD 3.96Å; F430-M651 HydrophobicContact CE1-CE 3.63Å; F430-M651 HydrophobicContact CE1-SD 3.75Å; F430-M651 HydrophobicContact CG-CE 4.37Å
431	A	91.1	Very high	86.2	Confident	11 Å²	11	48.7 Å²	48.7	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-52.3	177.9	0	0	0	0	0	111.4	I289 A427 E428 F433 F434 D436 A437 V439	I289-A431 HydrophobicContact CG1-CB 4.3Å; A427-A431 VanDerWaalsContact O-CB 3.3Å; A427-A431 WeakPolarHBondContact O-CB 3.45Å; A427-A431 PolarHBondContact O-N 2.86Å; E428-A431 WeakPolarHBondContact O-CB 3.34Å; E428-A431 PolarHBondContact O-N 2.9Å; A431-F433 VanDerWaalsContact C-N 3.33Å; A431-F433 PolarHBondContact O-N 2.99Å; A431-F434 CarbonylContact O-C 3.47Å; A431-F434 PolarHBondContact O-N 3.01Å; A431-D436 CarbonylContact O-C 3.4Å; A431-D436 WeakPolarHBondContact O-CA 3.1Å; A431-D436 PolarHBondContact O-N 3.31Å; A431-A437 VanDerWaalsContact CB-O 3.22Å; A431-A437 WeakPolarHBondContact CB-O 3.39Å; A431-A437 PolarHBondContact O-N 3.3Å; A431-A437 VanDerWaalsContact O-N 3.13Å; A431-V439 HydrophobicContact CB-CG2 3.84Å
432	T	92.2	Very high	85.8	Confident	92 Å²	92	48.9 Å²	48.9	56%	0.564	25%	0.254	S	S	*	.	H	α-helix	trans	-60.5	-41.6	178.6	-59.6	0	0	0	0	112.1	E428 F434 D435	E428-T432 PolarHBondContact O-N 3.14Å; E428-T432 PolarHBondContact O-OG1 3.21Å; T432-F434 VanDerWaalsContact C-N 3.34Å; T432-F434 PolarHBondContact O-N 3.33Å; T432-D435 PolarHBondContact O-N 3.08Å
433	F	92.7	Very high	85.1	Confident	20 Å²	20	52.5 Å²	52.5	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-39.4	177.2	178.5	-94.7	0	0	0	112.1	F403 K407 K429 F430 A431 D435 D649 M651	F403-F433 HydrophobicContact CB-CD1 4.44Å; F403-F433 HydrophobicContact CB-CE1 3.67Å; F403-F433 HydrophobicContact CB-CZ 4.16Å; K407-F433 HydrophobicContact CD-CE1 3.94Å; K407-F433 HydrophobicContact CD-CZ 4.13Å; K407-F433 VanDerWaalsContact CE-O 3.24Å; K407-F433 WeakPolarHBondContact CE-O 3.48Å; K407-F433 PolarHBondContact NZ-O 3.28Å; K429-F433 WeakPolarHBondContact O-CB 3.27Å; K429-F433 PolarHBondContact O-N 3.43Å; F430-F433 PolarHBondContact O-N 3.1Å; A431-F433 VanDerWaalsContact C-N 3.33Å; A431-F433 PolarHBondContact O-N 2.99Å; F433-D435 PolarHBondContact O-N 2.78Å; F433-D649 WeakPolarHBondContact CE2-O 3.47Å; F433-D649 WeakPolarHBondContact CE2-OD1 3.47Å; F433-D649 WeakPolarHBondContact CZ-O 3.41Å; F433-M651 HydrophobicContact CB-CE 3.72Å; F433-M651 HydrophobicContact CB-CG 4.42Å; F433-M651 HydrophobicContact CD1-CE 3.63Å; F433-M651 HydrophobicContact CD2-CB 3.93Å; F433-M651 HydrophobicContact CD2-CE 4.41Å; F433-M651 HydrophobicContact CD2-CG 4.22Å; F433-M651 HydrophobicContact CE1-CE 4.41Å; F433-M651 HydrophobicContact CE2-CB 4.12Å; F433-M651 HydrophobicContact CG-CB 4.27Å; F433-M651 HydrophobicContact CG-CE 3.62Å; F433-M651 HydrophobicContact CG-CG 4.27Å
434	F	94	Very high	84.3	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.035	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	44.1	177.8	-73.5	-74.3	0	0	0	112.9	V287 I289 F403 V406 K407 L418 I420 F430 A431 T432 D436 A437 M651	V287-F434 HydrophobicContact CG1-CB 3.96Å; V287-F434 HydrophobicContact CG1-CD1 4.2Å; V287-F434 HydrophobicContact CG1-CG 4.15Å; I289-F434 HydrophobicContact CD1-CB 4.33Å; I289-F434 HydrophobicContact CD1-CD2 3.89Å; I289-F434 HydrophobicContact CD1-CG 4.39Å; F403-F434 HydrophobicContact CB-CZ 3.93Å; F403-F434 HydrophobicContact CD1-CE2 4.03Å; F403-F434 AromaticContact CD1-CZ 3.68Å; F403-F434 HydrophobicContact CD1-CZ 3.68Å; F403-F434 HydrophobicContact CG-CE2 4.36Å; F403-F434 HydrophobicContact CG-CZ 4.04Å; V406-F434 HydrophobicContact CG2-CE1 4.28Å; K407-F434 HydrophobicContact CB-CD1 4.27Å; K407-F434 HydrophobicContact CB-CE1 4.01Å; K407-F434 HydrophobicContact CD-CD1 4.46Å; K407-F434 HydrophobicContact CG-CD1 4.33Å; L418-F434 HydrophobicContact CD2-CD1 4.03Å; L418-F434 HydrophobicContact CD2-CE1 3.7Å; I420-F434 HydrophobicContact CB-CE2 4.48Å; I420-F434 HydrophobicContact CD1-CE1 4.31Å; I420-F434 HydrophobicContact CD1-CE2 3.83Å; I420-F434 HydrophobicContact CD1-CZ 3.66Å; I420-F434 HydrophobicContact CG1-CD2 3.92Å; I420-F434 HydrophobicContact CG1-CE1 4.48Å; I420-F434 HydrophobicContact CG1-CE2 3.57Å; I420-F434 HydrophobicContact CG1-CZ 3.88Å; I420-F434 HydrophobicContact CG2-CE2 4.32Å; F430-F434 VanDerWaalsContact O-CD2 3.27Å; F430-F434 WeakPolarHBondContact O-CD2 3.38Å; F430-F434 PolarHBondContact O-N 2.73Å; A431-F434 CarbonylContact O-C 3.47Å; A431-F434 PolarHBondContact O-N 3.01Å; T432-F434 VanDerWaalsContact C-N 3.34Å; T432-F434 PolarHBondContact O-N 3.33Å; F434-D436 PolarHBondContact O-N 2.78Å; F434-A437 HydrophobicContact CB-CB 3.96Å; F434-A437 WeakPolarHBondContact O-CB 3.35Å; F434-A437 PolarHBondContact O-N 3.48Å; F434-M651 HydrophobicContact CE2-CE 4.43Å
435	D	91.6	Very high	84	Confident	92 Å²	92	52.6 Å²	52.6	49%	0.492	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	47	174.7	-55.6	-31.8	0	0	0	112.9	K407 R411 T432 F433 A437	K407-D435 VanDerWaalsContact CE-OD1 3.24Å; K407-D435 WeakPolarHBondContact CE-OD1 3.5Å; K407-D435 WeakPolarHBondContact CE-OD2 3.2Å; K407-D435 IonicContact NZ-OD1 3.97Å; K407-D435 PolarHBondContact NZ-OD1 2.73Å; R411-D435 IonicContact CZ-OD2 3.11Å; R411-D435 IonicContact NE-OD2 3.78Å; R411-D435 PolarHBondContact NE-OD2 3.14Å; R411-D435 VanDerWaalsContact NE-OD2 3.11Å; R411-D435 VanDerWaalsContact NH2-CG 3.32Å; R411-D435 IonicContact NH2-OD1 2.65Å; R411-D435 PolarHBondContact NH2-OD1 3Å; R411-D435 IonicContact NH2-OD2 2.71Å; R411-D435 PolarHBondContact NH2-OD2 3.39Å; T432-D435 PolarHBondContact O-N 3.08Å; F433-D435 PolarHBondContact O-N 2.78Å; D435-A437 VanDerWaalsContact C-N 3.32Å; D435-A437 PolarHBondContact O-N 3.27Å
436	D	91.3	Very high	84.4	Confident	124 Å²	124	49.2 Å²	49.2	66%	0.663	26%	0.255	S	S	*	.	S	Bend	trans	57.5	38.7	-177.2	-62.7	-46	0	0	0	113.9	A431 F434	A431-D436 CarbonylContact O-C 3.4Å; A431-D436 WeakPolarHBondContact O-CA 3.1Å; A431-D436 PolarHBondContact O-N 3.31Å; F434-D436 PolarHBondContact O-N 2.78Å
437	A	92.9	Very high	84.5	Confident	9 Å²	9	51.6 Å²	51.6	7%	0.074	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-55.8	140.2	177.1	0	0	0	0	0	111.9	V287 I289 A431 F434 D435	V287-A437 HydrophobicContact CB-CB 4.09Å; V287-A437 HydrophobicContact CG1-CB 3.93Å; I289-A437 HydrophobicContact CD1-CB 4.26Å; I289-A437 HydrophobicContact CG1-CB 4.04Å; A431-A437 VanDerWaalsContact CB-O 3.22Å; A431-A437 WeakPolarHBondContact CB-O 3.39Å; A431-A437 PolarHBondContact O-N 3.3Å; A431-A437 VanDerWaalsContact O-N 3.13Å; F434-A437 HydrophobicContact CB-CB 3.96Å; F434-A437 WeakPolarHBondContact O-CB 3.35Å; F434-A437 PolarHBondContact O-N 3.48Å; D435-A437 VanDerWaalsContact C-N 3.32Å; D435-A437 PolarHBondContact O-N 3.27Å
438	P	95	Very high	84.7	Confident	50 Å²	50	53.3 Å²	53.3	33%	0.325	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-64.3	145.2	-179.4	24.1	-31.9	0	0	0	112	H285 L288 I289	H285-P438 HydrophobicContact CB-CG 4.03Å; H285-P438 VanDerWaalsContact CD2-CG 3.48Å; H285-P438 WeakPolarHBondContact CD2-CG 3.35Å; L288-P438 HydrophobicContact CD1-CB 4.28Å; L288-P438 HydrophobicContact CD1-CG 3.86Å; I289-P438 PolarHBondContact N-O 3.31Å
439	V	92.8	Very high	84.7	Confident	47 Å²	47	47 Å²	47	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.3	176.3	-174.4	0	0	0	0	109.8	I289 E291 A427 A431 R441	I289-V439 HydrophobicContact CB-CG2 4.17Å; I289-V439 HydrophobicContact CG2-CG2 4.46Å; I289-V439 CarbonylContact O-C 3.52Å; I289-V439 WeakPolarHBondContact O-CA 3.21Å; E291-V439 HydrophobicContact CB-CG1 4.04Å; A427-V439 HydrophobicContact CB-CG1 3.78Å; A427-V439 HydrophobicContact CB-CG2 4.27Å; A431-V439 HydrophobicContact CB-CG2 3.84Å; V439-R441 HydrophobicContact CG1-CG 3.8Å
440	F	92	Very high	84.9	Confident	33 Å²	33	44.9 Å²	44.9	15%	0.145	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.7	169.4	-165.3	-85.6	0	0	0	109.5	F274 A277 L278 A281 L288 I289 E291 I442	F274-F440 HydrophobicContact CB-CE1 4.03Å; F274-F440 HydrophobicContact CB-CZ 4.01Å; F274-F440 HydrophobicContact CD1-CZ 4.33Å; F274-F440 HydrophobicContact CG-CE1 4.49Å; A277-F440 HydrophobicContact CB-CE2 4.29Å; A277-F440 HydrophobicContact CB-CZ 4.18Å; L278-F440 HydrophobicContact CB-CE1 4.16Å; L278-F440 HydrophobicContact CB-CZ 4.03Å; L278-F440 HydrophobicContact CD1-CD1 3.89Å; L278-F440 HydrophobicContact CD1-CE1 4.11Å; L278-F440 HydrophobicContact CD1-CG 4.11Å; L278-F440 HydrophobicContact CD1-CZ 4.5Å; A281-F440 HydrophobicContact CB-CD2 3.94Å; A281-F440 HydrophobicContact CB-CE2 4.26Å; L288-F440 HydrophobicContact CD1-CB 4.12Å; L288-F440 HydrophobicContact CD2-CB 4.1Å; L288-F440 HydrophobicContact CG-CB 4.19Å; I289-F440 PolarHBondContact O-N 3.45Å; E291-F440 PolarHBondContact N-O 2.98Å; F440-I442 HydrophobicContact CD1-CD1 4.42Å; F440-I442 HydrophobicContact CD1-CG1 3.8Å; F440-I442 HydrophobicContact CE1-CG1 3.81Å
441	R	88.6	Confident	85	Confident	123 Å²	123	44.9 Å²	44.9	46%	0.464	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.5	-179.2	-57.6	-168.5	-176.5	-124.9	8.6	110.5	E291 V439 P443	E291-R441 HydrophobicContact CB-CG 4.36Å; E291-R441 CarbonylContact O-C 3.49Å; E291-R441 WeakPolarHBondContact O-CA 3.02Å; E291-R441 IonicContact OE1-NH1 3.96Å; E291-R441 PolarHBondContact OE1-NH1 2.95Å; E291-R441 VanDerWaalsContact OE2-CD 3.29Å; E291-R441 WeakPolarHBondContact OE2-CD 3.41Å; E291-R441 WeakPolarHBondContact OE2-CG 3.1Å; E291-R441 IonicContact OE2-CZ 3.83Å; E291-R441 IonicContact OE2-NE 2.8Å; E291-R441 PolarHBondContact OE2-NE 3.04Å; E291-R441 IonicContact OE2-NH1 3.75Å; E291-R441 PolarHBondContact OE2-NH1 2.91Å; V439-R441 HydrophobicContact CG1-CG 3.8Å; R441-P443 WeakPolarHBondContact O-CD 3.48Å
442	I	82.8	Confident	85.2	Confident	5 Å²	5	46 Å²	46	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	106.2	173.1	-58.4	165.8	0	0	0	107.3	I271 F274 I290 E291 G292 K298 F440	I271-I442 HydrophobicContact CD1-CD1 3.71Å; I271-I442 HydrophobicContact CG1-CD1 3.85Å; F274-I442 HydrophobicContact CD2-CG2 4.36Å; I290-I442 HydrophobicContact CG2-CD1 3.59Å; I290-I442 HydrophobicContact CG2-CG1 4.39Å; E291-I442 PolarHBondContact O-N 2.9Å; G292-I442 WeakPolarHBondContact CA-O 3.48Å; K298-I442 HydrophobicContact CD-CD1 4.2Å; K298-I442 HydrophobicContact CG-CD1 3.95Å; F440-I442 HydrophobicContact CD1-CD1 4.42Å; F440-I442 HydrophobicContact CD1-CG1 3.8Å; F440-I442 HydrophobicContact CE1-CG1 3.81Å
443	P	72.7	Confident	85.3	Confident	77 Å²	77	41.7 Å²	41.7	50%	0.5	21%	0.211	S	C	.	.			trans	-67.3	141.6	178	26.8	-33.1	0	0	0	111.1	F274 R441	F274-P443 HydrophobicContact CE2-CG 3.81Å; F274-P443 HydrophobicContact CZ-CG 3.64Å; R441-P443 WeakPolarHBondContact O-CD 3.48Å
444	G	60.6	Low	85.3	Confident	15 Å²	15	40.9 Å²	40.9	16%	0.155	21%	0.208	C	C	.	.			trans	116.7	129.1	143.8	0	0	0	0	0	117.5
445	R	60.3	Low	85	Confident	17 Å²	17	45.6 Å²	45.6	6%	0.064	23%	0.229	C	C	.	.			trans	-73.4	143.9	136.3	-80.2	158.7	-152.9	-136.9	-0.9	109.7	A239 E293 Y447 D590 G594	A239-R445 PolarHBondContact N-O 3.28Å; E293-R445 IonicContact OE1-CZ 3.71Å; E293-R445 IonicContact OE1-NE 3.57Å; E293-R445 PolarHBondContact OE1-NE 2.73Å; E293-R445 IonicContact OE1-NH2 3.32Å; E293-R445 PolarHBondContact OE1-NH2 2.51Å; E293-R445 VanDerWaalsContact OE2-CG 3.24Å; E293-R445 WeakPolarHBondContact OE2-CG 3.33Å; E293-R445 PolarHBondContact OE2-N 3.36Å; E293-R445 IonicContact OE2-NE 3.09Å; R445-Y447 VanDerWaalsContact C-N 3.28Å; R445-Y447 PolarHBondContact O-N 3.41Å; R445-D590 PolarHBondContact NH2-O 3.29Å; R445-G594 VanDerWaalsContact CZ-CA 3.47Å
446	R	64.3	Low	84.8	Confident	66 Å²	66	43.8 Å²	43.8	25%	0.249	23%	0.226	C	C	.	.	S	Bend	trans	-66	-33.7	172.8	-70.4	-170	-178.8	-173.8	4.7	111.6	S268 L269 P270 R598	S268-R446 PolarHBondContact O-NE 3.22Å; S268-R446 PolarHBondContact O-NH2 3.01Å; S268-R446 PolarHBondContact OG-NH1 2.94Å; S268-R446 PolarHBondContact OG-NH2 3.35Å; L269-R446 VanDerWaalsContact N-NH2 3.11Å; P270-R446 HydrophobicContact CG-CG 4.34Å; R446-R598 WeakPolarHBondContact CB-O 3.33Å; R446-R598 WeakPolarHBondContact CD-O 3.49Å
447	Y	75.5	Confident	84.6	Confident	91 Å²	91	43.2 Å²	43.2	36%	0.357	23%	0.229	S	C	.	.	S	Bend	trans	-137.2	154.1	-174.2	-62	-84	0	0	0	113.3	R445 G597 V599 A600	R445-Y447 VanDerWaalsContact C-N 3.28Å; R445-Y447 PolarHBondContact O-N 3.41Å; Y447-G597 PolarHBondContact N-O 3.4Å; Y447-V599 VanDerWaalsContact CD2-C 3.49Å; Y447-V599 WeakPolarHBondContact CE2-O 3.31Å; Y447-V599 PolarHBondContact OH-O 2.71Å; Y447-A600 VanDerWaalsContact CB-C 3.41Å; Y447-A600 WeakPolarHBondContact CB-O 3.46Å; Y447-A600 VanDerWaalsContact CG-C 3.46Å
448	P	82.6	Confident	84.3	Confident	36 Å²	36	45.9 Å²	45.9	23%	0.234	24%	0.24	C	C	.	.			trans	-68.4	154.6	178.7	28.8	-35.8	0	0	0	112.5	T235 R236 A601 G602	T235-P448 HydrophobicContact CG2-CB 4.18Å; R236-P448 WeakPolarHBondContact O-CA 3.3Å; R236-P448 WeakPolarHBondContact O-CB 3.47Å; P448-A601 HydrophobicContact CG-CB 4.12Å; P448-A601 WeakPolarHBondContact O-CA 3.45Å; P448-G602 PolarHBondContact O-N 3.48Å
449	V	86.8	Confident	83.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.7	173.9	-176.2	0	0	0	0	109.8	R236 I451 A596 G602 C604	R236-V449 PolarHBondContact N-O 3.14Å; R236-V449 PolarHBondContact O-N 2.86Å; R236-V449 VanDerWaalsContact O-N 3.15Å; V449-I451 HydrophobicContact CG1-CD1 4.08Å; V449-A596 HydrophobicContact CG1-CB 4.4Å; V449-A596 HydrophobicContact CG2-CB 4.33Å; V449-A596 WeakPolarHBondContact CG2-O 3.47Å; V449-G602 WeakPolarHBondContact CA-O 3.49Å; V449-C604 HydrophobicContact CG1-CB 4.11Å
450	D	92.3	Very high	83.7	Confident	26 Å²	26	50.8 Å²	50.8	14%	0.139	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.8	171.8	-73.9	-19	0	0	0	110.3	K232 T235 Y452 G602 K603 C604	K232-D450 WeakPolarHBondContact CE-OD1 3.39Å; K232-D450 WeakPolarHBondContact CE-OD2 3.45Å; K232-D450 IonicContact NZ-OD1 2.72Å; K232-D450 PolarHBondContact NZ-OD1 3.38Å; K232-D450 IonicContact NZ-OD2 3.56Å; K232-D450 PolarHBondContact NZ-OD2 3.16Å; T235-D450 VanDerWaalsContact CG2-OD1 3.25Å; T235-D450 WeakPolarHBondContact CG2-OD1 3.42Å; T235-D450 PolarHBondContact OG1-OD1 2.88Å; T235-D450 VanDerWaalsContact OG1-OD1 3.05Å; D450-Y452 HydrophobicContact CB-CD2 4.18Å; D450-Y452 HydrophobicContact CB-CE2 3.39Å; D450-Y452 PolarHBondContact OD2-OH 3.18Å; D450-G602 PolarHBondContact N-O 3.25Å; D450-K603 HydrophobicContact CB-CG 4.27Å; D450-K603 CarbonylContact O-C 3.57Å; D450-K603 WeakPolarHBondContact O-CA 3.31Å; D450-C604 PolarHBondContact O-N 3.06Å
451	I	93.9	Very high	83.7	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.9	176.2	-49	-59.3	0	0	0	109.4	T233 L234 R236 V449 Y453 A593 C604	T233-I451 PolarHBondContact N-O 3.43Å; L234-I451 HydrophobicContact CB-CB 4.49Å; L234-I451 PolarHBondContact O-N 2.95Å; R236-I451 HydrophobicContact CG-CG1 4.48Å; V449-I451 HydrophobicContact CG1-CD1 4.08Å; I451-Y453 HydrophobicContact CG2-CD2 4.27Å; I451-Y453 HydrophobicContact CG2-CE2 3.63Å; I451-A593 HydrophobicContact CD1-CB 3.79Å; I451-C604 HydrophobicContact CD1-CB 3.74Å
452	Y	94.5	Very high	83.9	Confident	33 Å²	33	47.1 Å²	47.1	13%	0.129	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.7	176.4	-62.9	-98.8	0	0	0	110.1	F230 L231 K232 D450 K603 C604 F605 R606	F230-Y452 HydrophobicContact CB-CD1 4.18Å; F230-Y452 HydrophobicContact CB-CG 4.49Å; L231-Y452 VanDerWaalsContact O-CA 3.27Å; L231-Y452 WeakPolarHBondContact O-CA 3.4Å; K232-Y452 HydrophobicContact CB-CD1 3.77Å; K232-Y452 HydrophobicContact CB-CE1 3.44Å; K232-Y452 VanDerWaalsContact CB-CE1 3.44Å; K232-Y452 HydrophobicContact CD-CE1 4.27Å; K232-Y452 HydrophobicContact CG-CD1 4.39Å; K232-Y452 HydrophobicContact CG-CE1 3.89Å; D450-Y452 HydrophobicContact CB-CD2 4.18Å; D450-Y452 HydrophobicContact CB-CE2 3.39Å; D450-Y452 PolarHBondContact OD2-OH 3.18Å; Y452-K603 HydrophobicContact CD2-CB 4.4Å; Y452-K603 HydrophobicContact CE2-CB 4.01Å; Y452-K603 HydrophobicContact CE2-CD 3.88Å; Y452-K603 HydrophobicContact CE2-CG 4.03Å; Y452-C604 PolarHBondContact N-O 3.41Å; Y452-F605 HydrophobicContact CD1-CE1 4.33Å; Y452-F605 HydrophobicContact CD2-CD1 4.16Å; Y452-F605 AromaticContact CD2-CE1 3.92Å; Y452-F605 HydrophobicContact CD2-CE1 3.92Å; Y452-F605 HydrophobicContact CD2-CZ 4.34Å; Y452-F605 HydrophobicContact CE2-CE1 4.45Å; Y452-F605 AromaticContact CG-CD1 3.99Å; Y452-F605 HydrophobicContact CG-CD1 3.99Å; Y452-F605 AromaticContact CG-CE1 3.89Å; Y452-F605 HydrophobicContact CG-CE1 3.89Å; Y452-R606 WeakPolarHBondContact O-CB 3.39Å; Y452-R606 PolarHBondContact O-N 3.16Å
453	Y	94	Very high	84.4	Confident	3 Å²	3	49.2 Å²	49.2	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.8	174.2	-62.6	-93.2	0	0	0	110.1	F230 L231 T233 I451 R606 Y608 Y613	F230-Y453 WeakPolarHBondContact CA-O 3.22Å; L231-Y453 PolarHBondContact N-O 2.96Å; L231-Y453 PolarHBondContact O-N 2.77Å; T233-Y453 HydrophobicContact CG2-CE2 4.36Å; T233-Y453 VanDerWaalsContact OG1-CD2 3.3Å; T233-Y453 WeakPolarHBondContact OG1-CD2 3.35Å; I451-Y453 HydrophobicContact CG2-CD2 4.27Å; I451-Y453 HydrophobicContact CG2-CE2 3.63Å; Y453-R606 HydrophobicContact CD1-CB 3.78Å; Y453-R606 HydrophobicContact CD1-CG 4.43Å; Y453-R606 HydrophobicContact CE1-CB 4.14Å; Y453-R606 HydrophobicContact CE1-CG 4.31Å; Y453-R606 HydrophobicContact CG-CB 4.47Å; Y453-R606 PolarHBondContact OH-NH1 2.94Å; Y453-Y608 WeakPolarHBondContact CB-O 3.37Å; Y453-Y608 HydrophobicContact CD1-CD2 4.37Å; Y453-Y608 HydrophobicContact CD1-CE2 4.36Å; Y453-Y608 WeakPolarHBondContact CD1-O 3.48Å; Y453-Y608 HydrophobicContact CE1-CD2 4.46Å; Y453-Y608 HydrophobicContact CE1-CE2 4.07Å; Y453-Y613 HydrophobicContact CE1-CD2 4.46Å; Y453-Y613 HydrophobicContact CE1-CG 4.1Å
454	T	92.1	Very high	85.4	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	145.6	169.5	55.1	0	0	0	0	110.6	I228 F230 A456 E458 R606 L607 Y608	I228-T454 HydrophobicContact CG2-CG2 3.83Å; F230-T454 HydrophobicContact CD1-CG2 4.13Å; F230-T454 HydrophobicContact CE1-CG2 3.62Å; F230-T454 HydrophobicContact CZ-CG2 4.22Å; T454-A456 VanDerWaalsContact C-N 3.35Å; T454-A456 WeakPolarHBondContact CB-O 3.46Å; T454-A456 PolarHBondContact OG1-O 3.49Å; T454-E458 HydrophobicContact CG2-CG 4.05Å; T454-R606 PolarHBondContact N-O 2.95Å; T454-R606 VanDerWaalsContact N-O 3.13Å; T454-L607 HydrophobicContact CG2-CD2 4.17Å; T454-Y608 PolarHBondContact OG1-N 2.96Å
455	K	88.2	Confident	87.1	Confident	107 Å²	107	45.2 Å²	45.2	47%	0.465	25%	0.246	S	C	.	.	S	Bend	trans	-66.4	-37.8	178	-74.7	-176.5	-172.9	174.3	0	112.5	E229 L231	E229-K455 HydrophobicContact CB-CD 3.8Å; E229-K455 HydrophobicContact CB-CG 4.3Å; E229-K455 VanDerWaalsContact CD-NZ 3.3Å; E229-K455 PolarHBondContact O-N 2.97Å; E229-K455 IonicContact OE1-NZ 3.45Å; E229-K455 WeakPolarHBondContact OE2-CD 3.39Å; E229-K455 WeakPolarHBondContact OE2-CE 3.44Å; E229-K455 IonicContact OE2-NZ 2.76Å; E229-K455 PolarHBondContact OE2-NZ 3.32Å; L231-K455 HydrophobicContact CD1-CG 3.7Å; L231-K455 HydrophobicContact CD2-CG 4.3Å; L231-K455 HydrophobicContact CG-CD 4.35Å; L231-K455 HydrophobicContact CG-CG 3.62Å
456	A	87.9	Confident	88.7	Confident	54 Å²	54	44.4 Å²	44.4	45%	0.446	24%	0.244	S	C	.	.	S	Bend	trans	-126.1	159.6	-180	0	0	0	0	0	110.3	T454 E458	T454-A456 VanDerWaalsContact C-N 3.35Å; T454-A456 WeakPolarHBondContact CB-O 3.46Å; T454-A456 PolarHBondContact OG1-O 3.49Å; A456-E458 PolarHBondContact O-N 3.26Å
457	P	86.7	Confident	90.1	Very high	111 Å²	111	42.5 Å²	42.5	72%	0.721	24%	0.238	S	C	*	.			trans	-62.4	132.5	170.7	-19.3	32.1	0	0	0	111	T609	P457-T609 HydrophobicContact CG-CG2 4.12Å
458	E	86.1	Confident	91	Very high	66 Å²	66	38.1 Å²	38.1	31%	0.308	22%	0.221	S	C	.	.			trans	-85.5	125.6	176.9	-61.4	-58.4	151	0	0	110.2	T454 A456 A464	T454-E458 HydrophobicContact CG2-CG 4.05Å; A456-E458 PolarHBondContact O-N 3.26Å; E458-A464 HydrophobicContact CB-CB 4.03Å; E458-A464 HydrophobicContact CG-CB 3.87Å
459	A	84.1	Confident	91.6	Very high	111 Å²	111	36.5 Å²	36.5	92%	0.917	21%	0.21	S	C	*	.	S	Bend	trans	-71	-37.9	-179.5	0	0	0	0	0	112.4
460	D	91.5	Very high	91.9	Very high	88 Å²	88	37 Å²	37	47%	0.471	21%	0.213	S	C	.	.			trans	-121.3	97.2	173.9	-173.1	-19.6	0	0	0	109.3	I462 E463 A464	D460-I462 PolarHBondContact O-N 3.22Å; D460-I462 WeakPolarHBondContact OD1-CB 3.36Å; D460-I462 PolarHBondContact OD1-N 3.19Å; D460-E463 HydrophobicContact CB-CB 4.07Å; D460-E463 PolarHBondContact O-N 2.99Å; D460-E463 PolarHBondContact OD1-N 3.33Å; D460-E463 VanDerWaalsContact OD1-N 3.12Å; D460-A464 WeakPolarHBondContact O-CB 3.32Å; D460-A464 PolarHBondContact O-N 2.77Å
461	Y	93.3	Very high	91.8	Very high	48 Å²	48	37.2 Å²	37.2	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-19	-179.5	60.5	-99.1	0	0	0	113.1	A465 T486 E490 T562 F564	Y461-A465 VanDerWaalsContact O-CB 3.25Å; Y461-A465 WeakPolarHBondContact O-CB 3.31Å; Y461-A465 PolarHBondContact O-N 2.94Å; Y461-T486 HydrophobicContact CE2-CG2 4.48Å; Y461-E490 PolarHBondContact OH-OE1 2.94Å; Y461-T562 HydrophobicContact CD2-CG2 3.79Å; Y461-T562 HydrophobicContact CG-CG2 4.48Å; Y461-F564 AromaticContact CD1-CD2 4Å; Y461-F564 HydrophobicContact CD1-CD2 4Å; Y461-F564 AromaticContact CD1-CE2 3.91Å; Y461-F564 HydrophobicContact CD1-CE2 3.91Å; Y461-F564 HydrophobicContact CE1-CD2 4.05Å; Y461-F564 HydrophobicContact CE1-CE2 4.22Å; Y461-F564 HydrophobicContact CG-CD2 4.37Å; Y461-F564 HydrophobicContact CG-CE2 4.5Å
462	I	92.8	Very high	91.8	Very high	32 Å²	32	37.4 Å²	37.4	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-73.2	-50.7	177.2	-59.7	174.6	0	0	0	108.5	D460 A464 A465 I466 E490 A494	D460-I462 PolarHBondContact O-N 3.22Å; D460-I462 WeakPolarHBondContact OD1-CB 3.36Å; D460-I462 PolarHBondContact OD1-N 3.19Å; I462-A464 VanDerWaalsContact C-N 3.29Å; I462-A464 PolarHBondContact O-N 2.79Å; I462-A465 WeakPolarHBondContact O-CB 3.41Å; I462-A465 PolarHBondContact O-N 3.44Å; I462-I466 HydrophobicContact CG2-CD1 4.1Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.1Å; I462-I466 PolarHBondContact O-N 3.17Å; I462-E490 HydrophobicContact CD1-CB 4.1Å; I462-E490 HydrophobicContact CD1-CG 3.77Å; I462-A494 HydrophobicContact CG2-CB 4.26Å
463	E	92.8	Very high	91.7	Very high	49 Å²	49	36.4 Å²	36.4	23%	0.229	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-43.5	174.4	-178.3	54.6	-150	0	0	110.6	D460 A465 I466 I467 R501	D460-E463 HydrophobicContact CB-CB 4.07Å; D460-E463 PolarHBondContact O-N 2.99Å; D460-E463 PolarHBondContact OD1-N 3.33Å; D460-E463 VanDerWaalsContact OD1-N 3.12Å; E463-A465 VanDerWaalsContact C-N 3.32Å; E463-A465 PolarHBondContact O-N 2.86Å; E463-I466 WeakPolarHBondContact O-CB 3.23Å; E463-I466 PolarHBondContact O-N 3.12Å; E463-I466 VanDerWaalsContact O-N 3.15Å; E463-I467 HydrophobicContact CG-CD1 4.09Å; E463-I467 WeakPolarHBondContact O-CG1 3.37Å; E463-I467 PolarHBondContact O-N 2.96Å; E463-I467 WeakPolarHBondContact OE1-CD1 3.27Å; E463-R501 IonicContact OE1-CZ 3.95Å; E463-R501 IonicContact OE1-NH1 3.56Å; E463-R501 PolarHBondContact OE1-NH1 3.22Å; E463-R501 IonicContact OE1-NH2 2.7Å; E463-R501 PolarHBondContact OE1-NH2 3.47Å; E463-R501 IonicContact OE2-CZ 2.77Å; E463-R501 IonicContact OE2-NH1 3.54Å; E463-R501 IonicContact OE2-NH2 3.81Å; E463-R501 PolarHBondContact OE2-NH2 3.19Å
464	A	93.5	Very high	91.5	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-38.7	176.7	0	0	0	0	0	113	I228 E458 D460 I462 S468 L607	I228-A464 VanDerWaalsContact CD1-CA 3.47Å; I228-A464 HydrophobicContact CD1-CB 3.7Å; I228-A464 WeakPolarHBondContact CD1-O 3.24Å; E458-A464 HydrophobicContact CB-CB 4.03Å; E458-A464 HydrophobicContact CG-CB 3.87Å; D460-A464 WeakPolarHBondContact O-CB 3.32Å; D460-A464 PolarHBondContact O-N 2.77Å; I462-A464 VanDerWaalsContact C-N 3.29Å; I462-A464 PolarHBondContact O-N 2.79Å; A464-S468 VanDerWaalsContact O-CB 3.29Å; A464-S468 WeakPolarHBondContact O-CB 2.99Å; A464-S468 PolarHBondContact O-N 3.46Å; A464-S468 PolarHBondContact O-OG 3Å; A464-L607 HydrophobicContact CB-CD1 4.16Å
465	A	95.4	Very high	91.3	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-42.9	174.4	0	0	0	0	0	111.5	Y461 I462 E463 S468 I469 V483 I560 T562 L607	Y461-A465 VanDerWaalsContact O-CB 3.25Å; Y461-A465 WeakPolarHBondContact O-CB 3.31Å; Y461-A465 PolarHBondContact O-N 2.94Å; I462-A465 WeakPolarHBondContact O-CB 3.41Å; I462-A465 PolarHBondContact O-N 3.44Å; E463-A465 VanDerWaalsContact C-N 3.32Å; E463-A465 PolarHBondContact O-N 2.86Å; A465-S468 PolarHBondContact O-N 3.04Å; A465-I469 WeakPolarHBondContact O-CD1 3.39Å; A465-I469 WeakPolarHBondContact O-CG1 3.4Å; A465-I469 PolarHBondContact O-N 3.12Å; A465-V483 HydrophobicContact CB-CG1 4.11Å; A465-I560 HydrophobicContact CB-CG2 4.34Å; A465-T562 HydrophobicContact CB-CG2 4.46Å; A465-L607 HydrophobicContact CB-CD1 3.81Å
466	I	94.1	Very high	91.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-48.1	178.9	-67.5	163.3	0	0	0	111	I462 E463 S468 I469 L470 A494 L497 L498	I462-I466 HydrophobicContact CG2-CD1 4.1Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.1Å; I462-I466 PolarHBondContact O-N 3.17Å; E463-I466 WeakPolarHBondContact O-CB 3.23Å; E463-I466 PolarHBondContact O-N 3.12Å; E463-I466 VanDerWaalsContact O-N 3.15Å; I466-S468 VanDerWaalsContact C-N 3.33Å; I466-S468 PolarHBondContact O-N 3.33Å; I466-I469 PolarHBondContact O-N 3.44Å; I466-L470 HydrophobicContact CG2-CD1 4.37Å; I466-L470 WeakPolarHBondContact O-CG 3.05Å; I466-L470 PolarHBondContact O-N 2.89Å; I466-L470 VanDerWaalsContact O-N 3.12Å; I466-A494 HydrophobicContact CG1-CB 4.47Å; I466-L497 HydrophobicContact CD1-CB 3.64Å; I466-L497 HydrophobicContact CD1-CD1 3.54Å; I466-L497 HydrophobicContact CD1-CG 4.25Å; I466-L498 HydrophobicContact CB-CD2 4.42Å; I466-L498 HydrophobicContact CG1-CD2 4.49Å; I466-L498 HydrophobicContact CG1-CG 4.18Å; I466-L498 HydrophobicContact CG2-CD2 3.84Å; I466-L498 HydrophobicContact CG2-CG 4.2Å
467	I	93.5	Very high	91.6	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-47.4	176.5	-69.3	169.4	0	0	0	110.1	D226 I228 E463 I469 L470 Q471	D226-I467 HydrophobicContact CB-CD1 4.16Å; D226-I467 WeakPolarHBondContact O-CG2 3.32Å; I228-I467 HydrophobicContact CD1-CB 3.73Å; I228-I467 HydrophobicContact CD1-CD1 4.44Å; I228-I467 HydrophobicContact CD1-CG2 3.62Å; I228-I467 HydrophobicContact CG1-CB 4.45Å; I228-I467 HydrophobicContact CG1-CG2 3.86Å; E463-I467 HydrophobicContact CG-CD1 4.09Å; E463-I467 WeakPolarHBondContact O-CG1 3.37Å; E463-I467 PolarHBondContact O-N 2.96Å; E463-I467 WeakPolarHBondContact OE1-CD1 3.27Å; I467-I469 VanDerWaalsContact C-N 3.32Å; I467-I469 PolarHBondContact O-N 3.17Å; I467-L470 PolarHBondContact O-N 3.15Å; I467-L470 VanDerWaalsContact O-N 3.15Å; I467-Q471 WeakPolarHBondContact O-CB 3.43Å; I467-Q471 PolarHBondContact O-N 3.48Å
468	S	94.2	Very high	91.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-40.3	178.7	-61	0	0	0	0	112.3	F230 A464 A465 I466 Q471 I472	F230-S468 WeakPolarHBondContact CZ-OG 3.47Å; A464-S468 VanDerWaalsContact O-CB 3.29Å; A464-S468 WeakPolarHBondContact O-CB 2.99Å; A464-S468 PolarHBondContact O-N 3.46Å; A464-S468 PolarHBondContact O-OG 3Å; A465-S468 PolarHBondContact O-N 3.04Å; I466-S468 VanDerWaalsContact C-N 3.33Å; I466-S468 PolarHBondContact O-N 3.33Å; S468-Q471 PolarHBondContact O-N 2.82Å; S468-I472 WeakPolarHBondContact O-CB 3.33Å; S468-I472 WeakPolarHBondContact O-CG1 3.41Å; S468-I472 PolarHBondContact O-N 2.76Å
469	I	95.6	Very high	91.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-48.4	175.3	-69.5	160.7	0	0	0	110.4	A465 I466 I467 I472 H473 I481 V483 L498 L512 V540 L542 I560	A465-I469 WeakPolarHBondContact O-CD1 3.39Å; A465-I469 WeakPolarHBondContact O-CG1 3.4Å; A465-I469 PolarHBondContact O-N 3.12Å; I466-I469 PolarHBondContact O-N 3.44Å; I467-I469 VanDerWaalsContact C-N 3.32Å; I467-I469 PolarHBondContact O-N 3.17Å; I469-I472 PolarHBondContact O-N 3.37Å; I469-H473 VanDerWaalsContact O-CB 3.3Å; I469-H473 WeakPolarHBondContact O-CB 3.4Å; I469-H473 PolarHBondContact O-N 2.83Å; I469-I481 HydrophobicContact CG1-CG2 4.43Å; I469-I481 HydrophobicContact CG2-CD1 4.15Å; I469-V483 HydrophobicContact CD1-CG2 3.57Å; I469-V483 HydrophobicContact CG1-CG2 3.69Å; I469-L498 HydrophobicContact CB-CD2 4.16Å; I469-L498 HydrophobicContact CD1-CD1 3.65Å; I469-L498 HydrophobicContact CD1-CD2 4.15Å; I469-L498 HydrophobicContact CD1-CG 4.48Å; I469-L498 HydrophobicContact CG2-CD2 3.87Å; I469-L512 HydrophobicContact CG2-CD2 4.27Å; I469-V540 HydrophobicContact CD1-CG2 4.06Å; I469-V540 HydrophobicContact CG1-CG2 4.21Å; I469-V540 HydrophobicContact CG2-CG2 4.1Å; I469-L542 HydrophobicContact CD1-CD2 4.04Å; I469-I560 HydrophobicContact CB-CD1 4.42Å; I469-I560 HydrophobicContact CG1-CD1 3.54Å
470	L	93.1	Very high	92.4	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-41.9	-178.7	-66.6	174.3	0	0	0	111.6	I466 I467 H473 V474 L498 R501 L505	I466-L470 HydrophobicContact CG2-CD1 4.37Å; I466-L470 WeakPolarHBondContact O-CG 3.05Å; I466-L470 PolarHBondContact O-N 2.89Å; I466-L470 VanDerWaalsContact O-N 3.12Å; I467-L470 PolarHBondContact O-N 3.15Å; I467-L470 VanDerWaalsContact O-N 3.15Å; L470-H473 PolarHBondContact O-N 2.89Å; L470-V474 WeakPolarHBondContact O-CG2 3.5Å; L470-V474 PolarHBondContact O-N 2.79Å; L470-L498 HydrophobicContact CD2-CD2 4.48Å; L470-L498 HydrophobicContact CG-CD2 4.44Å; L470-R501 HydrophobicContact CD1-CB 4.01Å; L470-R501 HydrophobicContact CD1-CG 4.5Å; L470-L505 HydrophobicContact CD2-CD1 4.22Å
471	Q	91.6	Very high	92.7	Very high	29 Å²	29	28.4 Å²	28.4	14%	0.136	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.9	-171.3	-177.9	5.2	0	0	111.3	L224 I228 I467 S468 H473 V474 T475	L224-Q471 HydrophobicContact CD1-CB 4.34Å; I228-Q471 PolarHBondContact O-OE1 3.3Å; I467-Q471 WeakPolarHBondContact O-CB 3.43Å; I467-Q471 PolarHBondContact O-N 3.48Å; S468-Q471 PolarHBondContact O-N 2.82Å; Q471-H473 VanDerWaalsContact C-N 3.34Å; Q471-H473 PolarHBondContact O-N 3.5Å; Q471-V474 PolarHBondContact O-N 2.81Å; Q471-T475 HydrophobicContact CG-CG2 4.44Å; Q471-T475 WeakPolarHBondContact O-CB 3.41Å; Q471-T475 WeakPolarHBondContact O-CG2 3.25Å; Q471-T475 PolarHBondContact O-N 3.19Å; Q471-T475 PolarHBondContact O-OG1 2.58Å
472	I	93.5	Very high	92.8	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-42.5	175.5	-69	169.3	0	0	0	110.6	S468 I469 V474 Q476 I481 R538 Y558 I560 F605	S468-I472 WeakPolarHBondContact O-CB 3.33Å; S468-I472 WeakPolarHBondContact O-CG1 3.41Å; S468-I472 PolarHBondContact O-N 2.76Å; I469-I472 PolarHBondContact O-N 3.37Å; I472-V474 VanDerWaalsContact C-N 3.32Å; I472-V474 PolarHBondContact O-N 2.94Å; I472-Q476 HydrophobicContact CB-CG 4.28Å; I472-Q476 HydrophobicContact CG1-CG 4.4Å; I472-Q476 HydrophobicContact CG2-CB 4.09Å; I472-Q476 HydrophobicContact CG2-CG 3.97Å; I472-Q476 VanDerWaalsContact O-CB 3.24Å; I472-Q476 WeakPolarHBondContact O-CB 3.5Å; I472-Q476 PolarHBondContact O-N 2.69Å; I472-I481 HydrophobicContact CB-CD1 4.08Å; I472-I481 HydrophobicContact CG2-CD1 3.69Å; I472-I481 HydrophobicContact CG2-CG1 3.99Å; I472-R538 PolarHBondContact O-NH2 3.01Å; I472-Y558 HydrophobicContact CG2-CD1 3.92Å; I472-Y558 HydrophobicContact CG2-CD2 3.85Å; I472-Y558 HydrophobicContact CG2-CE1 4.37Å; I472-Y558 HydrophobicContact CG2-CE2 4.34Å; I472-Y558 HydrophobicContact CG2-CG 3.63Å; I472-I560 HydrophobicContact CD1-CD1 3.86Å; I472-I560 HydrophobicContact CD1-CG1 3.96Å; I472-F605 HydrophobicContact CD1-CD2 3.48Å; I472-F605 VanDerWaalsContact CD1-CD2 3.48Å; I472-F605 HydrophobicContact CD1-CE2 3.46Å; I472-F605 VanDerWaalsContact CD1-CE2 3.46Å; I472-F605 HydrophobicContact CD1-CG 4.3Å; I472-F605 HydrophobicContact CD1-CZ 4.29Å; I472-F605 HydrophobicContact CG1-CD2 4.34Å; I472-F605 HydrophobicContact CG1-CE2 3.88Å; I472-F605 HydrophobicContact CG1-CZ 4.28Å
473	H	92	Very high	93	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-178.3	-173.7	54.3	0	0	0	112.8	I469 L470 Q471 R510 R538	I469-H473 VanDerWaalsContact O-CB 3.3Å; I469-H473 WeakPolarHBondContact O-CB 3.4Å; I469-H473 PolarHBondContact O-N 2.83Å; L470-H473 PolarHBondContact O-N 2.89Å; Q471-H473 VanDerWaalsContact C-N 3.34Å; Q471-H473 PolarHBondContact O-N 3.5Å; H473-R510 PolarHBondContact CE1-O 2.96Å; H473-R510 PolarHBondContact NE2-O 3.49Å; H473-R538 WeakPolarHBondContact ND1-CD 3.49Å; H473-R538 PolarHBondContact ND1-NE 2.95Å
474	V	89.6	Confident	93.3	Very high	51 Å²	51	22.4 Å²	22.4	31%	0.309	14%	0.135	S	C	.	.	H	α-helix	trans	-79.5	-45.1	-179.9	175	0	0	0	0	112.2	L222 L470 Q471 I472 I509	L222-V474 HydrophobicContact CB-CG1 4.31Å; L222-V474 HydrophobicContact CD1-CG1 3.88Å; L470-V474 WeakPolarHBondContact O-CG2 3.5Å; L470-V474 PolarHBondContact O-N 2.79Å; Q471-V474 PolarHBondContact O-N 2.81Å; I472-V474 VanDerWaalsContact C-N 3.32Å; I472-V474 PolarHBondContact O-N 2.94Å; V474-I509 HydrophobicContact CG2-CG2 3.96Å
475	T	88.7	Confident	93.4	Very high	76 Å²	76	22.3 Å²	22.3	47%	0.466	13%	0.134	S	C	.	.	H	α-helix	trans	-94.2	-26.7	-167.3	65.5	0	0	0	0	114.4	Q471	Q471-T475 HydrophobicContact CG-CG2 4.44Å; Q471-T475 WeakPolarHBondContact O-CB 3.41Å; Q471-T475 WeakPolarHBondContact O-CG2 3.25Å; Q471-T475 PolarHBondContact O-N 3.19Å; Q471-T475 PolarHBondContact O-OG1 2.58Å
476	Q	91	Very high	93.3	Very high	47 Å²	47	22.4 Å²	22.4	22%	0.22	13%	0.134	C	C	.	.	S	Bend	trans	-97.3	153.6	-170.6	-58.1	-62.1	-55.7	0	0	112.6	I472 R538 Y558	I472-Q476 HydrophobicContact CB-CG 4.28Å; I472-Q476 HydrophobicContact CG1-CG 4.4Å; I472-Q476 HydrophobicContact CG2-CB 4.09Å; I472-Q476 HydrophobicContact CG2-CG 3.97Å; I472-Q476 VanDerWaalsContact O-CB 3.24Å; I472-Q476 WeakPolarHBondContact O-CB 3.5Å; I472-Q476 PolarHBondContact O-N 2.69Å; Q476-R538 PolarHBondContact O-NH2 2.73Å; Q476-Y558 HydrophobicContact CB-CE1 3.78Å; Q476-Y558 HydrophobicContact CB-CE2 4.31Å; Q476-Y558 WeakPolarHBondContact CB-OH 3.06Å; Q476-Y558 HydrophobicContact CG-CE1 3.93Å
477	P	90.2	Very high	93.1	Very high	81 Å²	81	22.7 Å²	22.7	53%	0.526	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-54.9	172.5	171.9	-26.2	34.4	0	0	0	114.8	R538 Y558	P477-R538 PolarHBondContact O-NH1 3.23Å; P477-R538 VanDerWaalsContact O-NH1 3.17Å; P477-R538 PolarHBondContact O-NH2 2.87Å; P477-Y558 WeakPolarHBondContact CD-OH 3.22Å; P477-Y558 PolarHBondContact O-OH 2.96Å
478	P	87.9	Confident	92.7	Very high	96 Å²	96	25.3 Å²	25.3	62%	0.623	15%	0.149	S	C	*	.	S	Bend	trans	-54.5	142.8	175.2	-23.9	34.2	0	0	0	112.5
479	G	91.3	Very high	92.4	Very high	13 Å²	13	32 Å²	32	13%	0.134	18%	0.18	C	C	.	.			trans	151.4	140.3	-178.1	0	0	0	0	0	111.6	R538	G479-R538 WeakPolarHBondContact O-CD 3.32Å; G479-R538 VanDerWaalsContact O-CG 3.3Å; G479-R538 WeakPolarHBondContact O-CG 3.45Å; G479-R538 PolarHBondContact O-NH1 3.26Å
480	D	95.3	Very high	92.2	Very high	11 Å²	11	33 Å²	33	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	156.1	-176.3	-63.1	-30.1	0	0	0	111.6	T533 K539 G555 I556 I557 Y558	D480-T533 VanDerWaalsContact CG-OG1 3.25Å; D480-T533 PolarHBondContact OD1-OG1 3.46Å; D480-T533 VanDerWaalsContact OD1-OG1 3.1Å; D480-T533 PolarHBondContact OD2-OG1 2.61Å; D480-K539 WeakPolarHBondContact CA-O 3.43Å; D480-K539 HydrophobicContact CB-CB 4.29Å; D480-K539 WeakPolarHBondContact CB-O 3.19Å; D480-K539 WeakPolarHBondContact OD1-CB 3.28Å; D480-K539 PolarHBondContact OD1-N 3.15Å; D480-K539 WeakPolarHBondContact OD2-CE 3.4Å; D480-K539 IonicContact OD2-NZ 3.11Å; D480-G555 WeakPolarHBondContact CB-O 3.25Å; D480-G555 PolarHBondContact N-O 2.98Å; D480-I556 HydrophobicContact CB-CD1 3.83Å; D480-I557 PolarHBondContact O-N 3.36Å; D480-Y558 PolarHBondContact O-N 3.02Å; D480-Y558 VanDerWaalsContact O-N 3.09Å
481	I	96.7	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.4	-175.7	-53	171.5	0	0	0	108.9	I469 I472 V483 K539 V540 V541 Y558 I560	I469-I481 HydrophobicContact CG1-CG2 4.43Å; I469-I481 HydrophobicContact CG2-CD1 4.15Å; I472-I481 HydrophobicContact CB-CD1 4.08Å; I472-I481 HydrophobicContact CG2-CD1 3.69Å; I472-I481 HydrophobicContact CG2-CG1 3.99Å; I481-V483 HydrophobicContact CG2-CG2 3.91Å; I481-K539 PolarHBondContact N-O 3.33Å; I481-V540 HydrophobicContact CB-CB 4.24Å; I481-V540 HydrophobicContact CB-CG2 3.98Å; I481-V540 HydrophobicContact CG2-CG2 4.13Å; I481-V540 CarbonylContact O-C 3.55Å; I481-V540 WeakPolarHBondContact O-CA 3.38Å; I481-V541 PolarHBondContact O-N 2.81Å; I481-Y558 CarbonylContact C-O 3.43Å; I481-Y558 VanDerWaalsContact CA-O 3.31Å; I481-Y558 WeakPolarHBondContact CA-O 3.37Å; I481-Y558 HydrophobicContact CG1-CD2 4.35Å; I481-I560 HydrophobicContact CG2-CD1 3.93Å; I481-I560 HydrophobicContact CG2-CG1 4.37Å
482	L	96.5	Very high	92.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.4	169.6	177.7	63.5	0	0	0	109.3	F484 V541 A543 A547 I553 I556 Y558 V559 I560 R595	L482-F484 HydrophobicContact CD2-CE2 3.78Å; L482-F484 HydrophobicContact CD2-CZ 3.69Å; L482-F484 HydrophobicContact CG-CE2 4.02Å; L482-F484 HydrophobicContact CG-CZ 4.21Å; L482-V541 HydrophobicContact CD1-CB 3.86Å; L482-V541 HydrophobicContact CD1-CG1 3.86Å; L482-A543 HydrophobicContact CD1-CB 3.73Å; L482-A547 HydrophobicContact CD1-CB 4.07Å; L482-A547 HydrophobicContact CD2-CB 4.37Å; L482-I553 HydrophobicContact CD1-CD1 4.27Å; L482-I556 HydrophobicContact CB-CD1 3.96Å; L482-I556 HydrophobicContact CB-CG1 4.31Å; L482-I556 HydrophobicContact CB-CG2 3.78Å; L482-Y558 PolarHBondContact N-O 3.11Å; L482-V559 HydrophobicContact CB-CG2 4.47Å; L482-V559 CarbonylContact O-C 3.56Å; L482-V559 VanDerWaalsContact O-CA 3.32Å; L482-V559 WeakPolarHBondContact O-CA 3.24Å; L482-I560 PolarHBondContact O-N 2.83Å; L482-R595 HydrophobicContact CD2-CB 3.68Å; L482-R595 HydrophobicContact CD2-CG 3.85Å
483	V	97.6	Very high	92.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.5	-179.3	-177.5	0	0	0	0	109.3	A465 I469 I481 L485 V540 V541 L542 A543 I560	A465-V483 HydrophobicContact CB-CG1 4.11Å; I469-V483 HydrophobicContact CD1-CG2 3.57Å; I469-V483 HydrophobicContact CG1-CG2 3.69Å; I481-V483 HydrophobicContact CG2-CG2 3.91Å; V483-L485 HydrophobicContact CG1-CG 4.25Å; V483-V540 HydrophobicContact CG2-CG2 4.14Å; V483-V541 PolarHBondContact N-O 3.26Å; V483-L542 HydrophobicContact CB-CD2 3.94Å; V483-L542 HydrophobicContact CG1-CD2 4.41Å; V483-L542 HydrophobicContact CG2-CD2 4.12Å; V483-A543 PolarHBondContact O-N 3.35Å; V483-I560 WeakPolarHBondContact CA-O 3.3Å; V483-I560 HydrophobicContact CB-CB 4.41Å; V483-I560 HydrophobicContact CG1-CB 4.24Å; V483-I560 HydrophobicContact CG1-CG2 4.24Å; V483-I560 HydrophobicContact CG2-CB 3.97Å; V483-I560 HydrophobicContact CG2-CD1 3.89Å; V483-I560 HydrophobicContact CG2-CG1 4.39Å
484	F	97.5	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.7	174.9	-71.4	-81	0	0	0	111.2	L482 A543 A547 E548 V559 I560 T562 R592 R595	L482-F484 HydrophobicContact CD2-CE2 3.78Å; L482-F484 HydrophobicContact CD2-CZ 3.69Å; L482-F484 HydrophobicContact CG-CE2 4.02Å; L482-F484 HydrophobicContact CG-CZ 4.21Å; F484-A543 CarbonylContact C-O 3.43Å; F484-A543 WeakPolarHBondContact CA-O 3.34Å; F484-A547 HydrophobicContact CE1-CB 3.94Å; F484-A547 HydrophobicContact CZ-CB 4.3Å; F484-E548 HydrophobicContact CE1-CB 4.1Å; F484-V559 HydrophobicContact CD2-CG1 4.07Å; F484-V559 HydrophobicContact CE2-CG1 3.91Å; F484-I560 PolarHBondContact N-O 3.43Å; F484-T562 WeakPolarHBondContact O-CB 3.31Å; F484-T562 WeakPolarHBondContact O-CG2 3.36Å; F484-T562 PolarHBondContact O-OG1 3.21Å; F484-R592 HydrophobicContact CD1-CG 4.13Å; F484-R592 HydrophobicContact CD2-CB 3.85Å; F484-R592 HydrophobicContact CD2-CG 3.74Å; F484-R592 HydrophobicContact CE1-CG 3.99Å; F484-R592 HydrophobicContact CE2-CB 3.55Å; F484-R592 HydrophobicContact CE2-CG 3.59Å; F484-R592 HydrophobicContact CG-CG 4.01Å; F484-R592 HydrophobicContact CZ-CB 4.07Å; F484-R592 HydrophobicContact CZ-CG 3.72Å; F484-R595 HydrophobicContact CE2-CG 4.46Å; F484-R595 HydrophobicContact CZ-CG 4.1Å
485	L	96.5	Very high	92.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.203	C	C	.	.			trans	-119.7	166.5	174.8	-68.6	168.1	0	0	0	110	V483 E490 I491 A494 L542 A543 T544 T562	V483-L485 HydrophobicContact CG1-CG 4.25Å; L485-E490 HydrophobicContact CB-CB 4.39Å; L485-I491 HydrophobicContact CB-CG1 3.87Å; L485-I491 HydrophobicContact CD1-CB 4.41Å; L485-I491 HydrophobicContact CD1-CG1 3.76Å; L485-I491 HydrophobicContact CG-CG1 4.45Å; L485-A494 HydrophobicContact CD1-CB 3.89Å; L485-L542 HydrophobicContact CD1-CB 4.46Å; L485-A543 PolarHBondContact N-O 2.93Å; L485-T544 WeakPolarHBondContact O-CA 3.48Å; L485-T562 HydrophobicContact CD2-CG2 4.08Å
486	T	92.8	Very high	92.5	Very high	6 Å²	6	37 Å²	37	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-84.2	-27.7	-169.6	85.2	0	0	0	0	113.3	Y461 E490 F564 K566 V581	Y461-T486 HydrophobicContact CE2-CG2 4.48Å; T486-E490 WeakPolarHBondContact CB-OE2 3.48Å; T486-E490 WeakPolarHBondContact CG2-OE2 3.36Å; T486-E490 PolarHBondContact N-OE2 2.89Å; T486-E490 PolarHBondContact OG1-OE1 3.21Å; T486-E490 PolarHBondContact OG1-OE2 3.33Å; T486-F564 HydrophobicContact CG2-CB 3.59Å; T486-K566 WeakPolarHBondContact O-CG 3.48Å; T486-K566 VanDerWaalsContact OG1-CE 3.24Å; T486-K566 WeakPolarHBondContact OG1-CE 3.42Å; T486-V581 HydrophobicContact CG2-CG1 3.9Å; T486-V581 HydrophobicContact CG2-CG2 4.5Å
487	G	90	Very high	92.6	Very high	7 Å²	7	37.3 Å²	37.3	7%	0.072	20%	0.204	C	C	.	.	S	Bend	trans	-168.4	-179.2	-176	0	0	0	0	0	115.5	E489 E490 I491	G487-E489 PolarHBondContact O-N 2.86Å; G487-E490 PolarHBondContact O-N 3.22Å; G487-I491 WeakPolarHBondContact O-CG1 3.46Å; G487-I491 PolarHBondContact O-N 2.99Å; G487-I491 VanDerWaalsContact O-N 3.11Å
488	Q	86.3	Confident	92.7	Very high	80 Å²	80	33.4 Å²	33.4	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-57.9	-46.4	-176.5	176.8	175	-7.9	0	0	113.1	E490 I491 E492 Y518 S520	Q488-E490 VanDerWaalsContact C-N 3.34Å; Q488-E490 PolarHBondContact O-N 2.98Å; Q488-I491 PolarHBondContact O-N 3.06Å; Q488-E492 HydrophobicContact CG-CG 4.29Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.22Å; Q488-E492 PolarHBondContact NE2-OE1 3.14Å; Q488-E492 WeakPolarHBondContact O-CG 3.4Å; Q488-E492 PolarHBondContact O-N 3.49Å; Q488-Y518 HydrophobicContact CB-CD1 4.39Å; Q488-Y518 HydrophobicContact CB-CD2 4.45Å; Q488-Y518 HydrophobicContact CB-CE1 4.44Å; Q488-Y518 HydrophobicContact CB-CG 4.37Å; Q488-Y518 HydrophobicContact CG-CD1 4.33Å; Q488-Y518 HydrophobicContact CG-CD2 4.37Å; Q488-Y518 HydrophobicContact CG-CE1 3.89Å; Q488-Y518 HydrophobicContact CG-CE2 3.97Å; Q488-Y518 PolarHBondContact NE2-OH 3.19Å; Q488-S520 PolarHBondContact OE1-OG 2.99Å; Q488-S520 VanDerWaalsContact OE1-OG 3.14Å
489	E	86.1	Confident	92.8	Very high	140 Å²	140	32.4 Å²	32.4	65%	0.654	17%	0.166	S	C	*	.	H	α-helix	trans	-58.9	-43.8	-177.9	-66.4	172	165.1	0	0	112.2	G487 E492 T493	G487-E489 PolarHBondContact O-N 2.86Å; E489-E492 PolarHBondContact O-N 3.01Å; E489-T493 WeakPolarHBondContact O-CB 3.23Å; E489-T493 PolarHBondContact O-N 3Å; E489-T493 PolarHBondContact O-OG1 3.5Å
490	E	92.8	Very high	92.7	Very high	21 Å²	21	36.3 Å²	36.3	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-39.8	177.2	-63.4	176.2	-166.4	0	0	111.7	Y461 I462 L485 T486 G487 Q488 T493 A494	Y461-E490 PolarHBondContact OH-OE1 2.94Å; I462-E490 HydrophobicContact CD1-CB 4.1Å; I462-E490 HydrophobicContact CD1-CG 3.77Å; L485-E490 HydrophobicContact CB-CB 4.39Å; T486-E490 WeakPolarHBondContact CB-OE2 3.48Å; T486-E490 WeakPolarHBondContact CG2-OE2 3.36Å; T486-E490 PolarHBondContact N-OE2 2.89Å; T486-E490 PolarHBondContact OG1-OE1 3.21Å; T486-E490 PolarHBondContact OG1-OE2 3.33Å; G487-E490 PolarHBondContact O-N 3.22Å; Q488-E490 VanDerWaalsContact C-N 3.34Å; Q488-E490 PolarHBondContact O-N 2.98Å; E490-T493 PolarHBondContact O-N 2.61Å; E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.33Å; E490-A494 PolarHBondContact O-N 3.17Å
491	I	93.3	Very high	92.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.7	176.5	-72.1	168.6	0	0	0	110.9	L485 G487 Q488 N495 P516 Y518 L542 T544	L485-I491 HydrophobicContact CB-CG1 3.87Å; L485-I491 HydrophobicContact CD1-CB 4.41Å; L485-I491 HydrophobicContact CD1-CG1 3.76Å; L485-I491 HydrophobicContact CG-CG1 4.45Å; G487-I491 WeakPolarHBondContact O-CG1 3.46Å; G487-I491 PolarHBondContact O-N 2.99Å; G487-I491 VanDerWaalsContact O-N 3.11Å; Q488-I491 PolarHBondContact O-N 3.06Å; I491-N495 WeakPolarHBondContact O-CB 3.4Å; I491-N495 PolarHBondContact O-N 3.24Å; I491-P516 HydrophobicContact CG2-CB 3.44Å; I491-P516 VanDerWaalsContact CG2-CB 3.44Å; I491-Y518 HydrophobicContact CB-CD1 4.42Å; I491-Y518 HydrophobicContact CD1-CD1 3.95Å; I491-Y518 HydrophobicContact CG2-CD1 4.07Å; I491-Y518 HydrophobicContact CG2-CE1 4.18Å; I491-L542 HydrophobicContact CG1-CB 4.43Å; I491-L542 HydrophobicContact CG2-CB 3.93Å; I491-T544 HydrophobicContact CD1-CG2 3.59Å
492	E	90.3	Very high	91.9	Very high	79 Å²	79	40.1 Å²	40.1	37%	0.369	20%	0.197	S	C	.	.	H	α-helix	trans	-66.7	-42	178.5	-73	177.5	-177.2	0	0	111.3	Q488 E489 N495 E496 Y518	Q488-E492 HydrophobicContact CG-CG 4.29Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.22Å; Q488-E492 PolarHBondContact NE2-OE1 3.14Å; Q488-E492 WeakPolarHBondContact O-CG 3.4Å; Q488-E492 PolarHBondContact O-N 3.49Å; E489-E492 PolarHBondContact O-N 3.01Å; E492-N495 PolarHBondContact O-N 3.25Å; E492-E496 WeakPolarHBondContact O-CG 3.08Å; E492-E496 PolarHBondContact O-N 3.46Å; E492-Y518 PolarHBondContact OE1-OH 2.74Å; E492-Y518 VanDerWaalsContact OE1-OH 3.13Å
493	T	91.7	Very high	91.4	Very high	66 Å²	66	49.6 Å²	49.6	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-48.2	175.5	-56.2	0	0	0	0	111.4	E489 E490 N495 E496 L497	E489-T493 WeakPolarHBondContact O-CB 3.23Å; E489-T493 PolarHBondContact O-N 3Å; E489-T493 PolarHBondContact O-OG1 3.5Å; E490-T493 PolarHBondContact O-N 2.61Å; T493-N495 VanDerWaalsContact C-N 3.32Å; T493-N495 PolarHBondContact O-N 2.75Å; T493-E496 PolarHBondContact O-N 2.86Å; T493-L497 HydrophobicContact CG2-CD1 4.01Å; T493-L497 WeakPolarHBondContact O-CG 3.35Å; T493-L497 PolarHBondContact O-N 2.66Å
494	A	94.5	Very high	90.8	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-39.6	177.1	0	0	0	0	0	111.9	I462 I466 L485 E490 L498 L542	I462-A494 HydrophobicContact CG2-CB 4.26Å; I466-A494 HydrophobicContact CG1-CB 4.47Å; L485-A494 HydrophobicContact CD1-CB 3.89Å; E490-A494 VanDerWaalsContact O-CB 3.24Å; E490-A494 WeakPolarHBondContact O-CB 3.33Å; E490-A494 PolarHBondContact O-N 3.17Å; A494-L498 VanDerWaalsContact O-CB 3.24Å; A494-L498 WeakPolarHBondContact O-CB 3.29Å; A494-L498 WeakPolarHBondContact O-CD1 3.34Å; A494-L498 VanDerWaalsContact O-CG 3.24Å; A494-L498 WeakPolarHBondContact O-CG 3.33Å; A494-L498 PolarHBondContact O-N 2.76Å; A494-L542 HydrophobicContact CB-CD1 4.16Å
495	N	93.6	Very high	90.1	Very high	30 Å²	30	59 Å²	59	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-46.5	176	-179.2	62.2	0	0	0	111.9	I491 E492 T493 M499 I514 L542	I491-N495 WeakPolarHBondContact O-CB 3.4Å; I491-N495 PolarHBondContact O-N 3.24Å; E492-N495 PolarHBondContact O-N 3.25Å; T493-N495 VanDerWaalsContact C-N 3.32Å; T493-N495 PolarHBondContact O-N 2.75Å; N495-M499 WeakPolarHBondContact O-CB 3.4Å; N495-M499 VanDerWaalsContact O-CG 3.29Å; N495-M499 WeakPolarHBondContact O-CG 3.37Å; N495-M499 PolarHBondContact O-N 3.39Å; N495-M499 WeakPolarHBondContact OD1-CE 3.41Å; N495-I514 HydrophobicContact CB-CG2 4.47Å; N495-I514 WeakPolarHBondContact OD1-CG2 3.49Å; N495-L542 HydrophobicContact CB-CD1 3.95Å
496	E	91.3	Very high	89.1	Confident	91 Å²	91	60.9 Å²	60.9	43%	0.425	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-48.4	177	-73.4	179.1	178.1	0	0	112	E492 T493 L498 M499 E500 K728	E492-E496 WeakPolarHBondContact O-CG 3.08Å; E492-E496 PolarHBondContact O-N 3.46Å; T493-E496 PolarHBondContact O-N 2.86Å; E496-L498 PolarHBondContact O-N 2.98Å; E496-M499 PolarHBondContact O-N 3.39Å; E496-E500 PolarHBondContact O-N 3Å; E496-K728 IonicContact OE1-NZ 2.77Å; E496-K728 PolarHBondContact OE1-NZ 2.86Å; E496-K728 IonicContact OE2-NZ 2.77Å; E496-K728 PolarHBondContact OE2-NZ 3.45Å
497	L	92	Very high	88.4	Confident	53 Å²	53	66.2 Å²	66.2	28%	0.277	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-41.1	179.5	-70.1	172.2	0	0	0	112.3	I466 T493 E500 R501	I466-L497 HydrophobicContact CD1-CB 3.64Å; I466-L497 HydrophobicContact CD1-CD1 3.54Å; I466-L497 HydrophobicContact CD1-CG 4.25Å; T493-L497 HydrophobicContact CG2-CD1 4.01Å; T493-L497 WeakPolarHBondContact O-CG 3.35Å; T493-L497 PolarHBondContact O-N 2.66Å; L497-E500 PolarHBondContact O-N 2.66Å; L497-R501 WeakPolarHBondContact O-CG 3.48Å; L497-R501 PolarHBondContact O-N 3.29Å
498	L	92.6	Very high	87.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-43.2	175	-79	164	0	0	0	111.6	I466 I469 L470 A494 E496 E500 R501 T502 I514 L542	I466-L498 HydrophobicContact CB-CD2 4.42Å; I466-L498 HydrophobicContact CG1-CD2 4.49Å; I466-L498 HydrophobicContact CG1-CG 4.18Å; I466-L498 HydrophobicContact CG2-CD2 3.84Å; I466-L498 HydrophobicContact CG2-CG 4.2Å; I469-L498 HydrophobicContact CB-CD2 4.16Å; I469-L498 HydrophobicContact CD1-CD1 3.65Å; I469-L498 HydrophobicContact CD1-CD2 4.15Å; I469-L498 HydrophobicContact CD1-CG 4.48Å; I469-L498 HydrophobicContact CG2-CD2 3.87Å; L470-L498 HydrophobicContact CD2-CD2 4.48Å; L470-L498 HydrophobicContact CG-CD2 4.44Å; A494-L498 VanDerWaalsContact O-CB 3.24Å; A494-L498 WeakPolarHBondContact O-CB 3.29Å; A494-L498 WeakPolarHBondContact O-CD1 3.34Å; A494-L498 VanDerWaalsContact O-CG 3.24Å; A494-L498 WeakPolarHBondContact O-CG 3.33Å; A494-L498 PolarHBondContact O-N 2.76Å; E496-L498 PolarHBondContact O-N 2.98Å; L498-E500 VanDerWaalsContact C-N 3.33Å; L498-E500 PolarHBondContact O-N 2.93Å; L498-R501 PolarHBondContact O-N 3.16Å; L498-T502 VanDerWaalsContact O-CB 3.23Å; L498-T502 WeakPolarHBondContact O-CB 3.12Å; L498-T502 PolarHBondContact O-N 3.34Å; L498-T502 PolarHBondContact O-OG1 2.95Å; L498-I514 HydrophobicContact CB-CD1 3.63Å; L498-L542 HydrophobicContact CD1-CD1 4.1Å; L498-L542 HydrophobicContact CD1-CD2 4.09Å
499	M	90.3	Very high	87.7	Confident	75 Å²	75	70.7 Å²	70.7	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-43.1	175.6	-76.7	-174.6	-178.7	0	0	111.4	N495 E496 R503 I514	N495-M499 WeakPolarHBondContact O-CB 3.4Å; N495-M499 VanDerWaalsContact O-CG 3.29Å; N495-M499 WeakPolarHBondContact O-CG 3.37Å; N495-M499 PolarHBondContact O-N 3.39Å; N495-M499 WeakPolarHBondContact OD1-CE 3.41Å; E496-M499 PolarHBondContact O-N 3.39Å; M499-R503 WeakPolarHBondContact O-CB 3.27Å; M499-R503 WeakPolarHBondContact O-CG 3.2Å; M499-R503 PolarHBondContact O-N 2.97Å; M499-I514 HydrophobicContact CG-CD1 3.69Å
500	E	89.3	Confident	87.6	Confident	94 Å²	94	72 Å²	72	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-48.3	177.7	-169.5	-172.6	158.5	0	0	111.8	E496 L497 L498 R503 K504	E496-E500 PolarHBondContact O-N 3Å; L497-E500 PolarHBondContact O-N 2.66Å; L498-E500 VanDerWaalsContact C-N 3.33Å; L498-E500 PolarHBondContact O-N 2.93Å; E500-R503 PolarHBondContact O-N 3.45Å; E500-K504 WeakPolarHBondContact O-CG 3.31Å; E500-K504 PolarHBondContact O-N 3.42Å; E500-K504 VanDerWaalsContact O-N 3.08Å; E500-K504 VanDerWaalsContact OE1-CE 3.23Å; E500-K504 WeakPolarHBondContact OE1-CE 3.25Å; E500-K504 IonicContact OE1-NZ 3.48Å; E500-K504 PolarHBondContact OE1-NZ 3.03Å
501	R	88.2	Confident	87.5	Confident	66 Å²	66	77.4 Å²	77.4	25%	0.249	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-41.7	179.8	-70.6	-176.9	-173.6	-157.4	-1.6	112.6	E463 L470 L497 L498 R503 K504 L505	E463-R501 IonicContact OE1-CZ 3.95Å; E463-R501 IonicContact OE1-NH1 3.56Å; E463-R501 PolarHBondContact OE1-NH1 3.22Å; E463-R501 IonicContact OE1-NH2 2.7Å; E463-R501 PolarHBondContact OE1-NH2 3.47Å; E463-R501 IonicContact OE2-CZ 2.77Å; E463-R501 IonicContact OE2-NH1 3.54Å; E463-R501 IonicContact OE2-NH2 3.81Å; E463-R501 PolarHBondContact OE2-NH2 3.19Å; L470-R501 HydrophobicContact CD1-CB 4.01Å; L470-R501 HydrophobicContact CD1-CG 4.5Å; L497-R501 WeakPolarHBondContact O-CG 3.48Å; L497-R501 PolarHBondContact O-N 3.29Å; L498-R501 PolarHBondContact O-N 3.16Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 3.21Å; R501-K504 PolarHBondContact O-N 3.19Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.97Å
502	T	87.9	Confident	87.4	Confident	25 Å²	25	78.1 Å²	78.1	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-41.1	177.1	-54.2	0	0	0	0	110.6	L498 K504 L505 G506 I509 L512	L498-T502 VanDerWaalsContact O-CB 3.23Å; L498-T502 WeakPolarHBondContact O-CB 3.12Å; L498-T502 PolarHBondContact O-N 3.34Å; L498-T502 PolarHBondContact O-OG1 2.95Å; T502-K504 PolarHBondContact O-N 3.43Å; T502-L505 PolarHBondContact O-N 3.22Å; T502-G506 PolarHBondContact O-N 3.13Å; T502-I509 HydrophobicContact CG2-CD1 3.77Å; T502-L512 HydrophobicContact CG2-CB 4.26Å
503	R	85.6	Confident	87.6	Confident	202 Å²	202	76.6 Å²	76.6	76%	0.762	37%	0.372	S	S	*	.	H	α-helix	trans	-63.3	-39.7	174.6	-74.9	173.2	-175.6	-172.5	3.6	112.8	M499 E500 R501 G506	M499-R503 WeakPolarHBondContact O-CB 3.27Å; M499-R503 WeakPolarHBondContact O-CG 3.2Å; M499-R503 PolarHBondContact O-N 2.97Å; E500-R503 PolarHBondContact O-N 3.45Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R501-R503 PolarHBondContact O-N 3.21Å; R503-G506 PolarHBondContact O-N 3.16Å
504	K	84.1	Confident	87.7	Confident	151 Å²	151	74.4 Å²	74.4	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-36	177	-72.5	174.9	-175.9	170.2	0	112.6	E500 R501 T502	E500-K504 WeakPolarHBondContact O-CG 3.31Å; E500-K504 PolarHBondContact O-N 3.42Å; E500-K504 VanDerWaalsContact O-N 3.08Å; E500-K504 VanDerWaalsContact OE1-CE 3.23Å; E500-K504 WeakPolarHBondContact OE1-CE 3.25Å; E500-K504 IonicContact OE1-NZ 3.48Å; E500-K504 PolarHBondContact OE1-NZ 3.03Å; R501-K504 PolarHBondContact O-N 3.19Å; T502-K504 PolarHBondContact O-N 3.43Å
505	L	82.2	Confident	87.7	Confident	47 Å²	47	75.6 Å²	75.6	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-73.3	-28.4	176.4	-69.9	165.9	0	0	0	112.2	L470 R501 T502 K508 I509	L470-L505 HydrophobicContact CD2-CD1 4.22Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.97Å; T502-L505 PolarHBondContact O-N 3.22Å; L505-K508 WeakPolarHBondContact O-CB 3.49Å; L505-K508 PolarHBondContact O-N 3Å; L505-I509 HydrophobicContact CB-CD1 3.71Å; L505-I509 HydrophobicContact CB-CG1 3.92Å; L505-I509 HydrophobicContact CB-CG2 4.27Å; L505-I509 HydrophobicContact CD1-CD1 3.86Å; L505-I509 HydrophobicContact CD1-CG2 4.34Å; L505-I509 HydrophobicContact CG-CD1 4.44Å
506	G	76	Confident	87.7	Confident	41 Å²	41	75.8 Å²	75.8	42%	0.423	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	61.5	-133.5	171.1	0	0	0	0	0	112.7	T502 R503 K508	T502-G506 PolarHBondContact O-N 3.13Å; R503-G506 PolarHBondContact O-N 3.16Å; G506-K508 PolarHBondContact O-N 3.43Å
507	S	77.4	Confident	87.7	Confident	119 Å²	119	71.5 Å²	71.5	83%	0.832	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-76.6	-2.4	-178.6	47.1	0	0	0	0	114.8	I509	S507-I509 PolarHBondContact O-N 2.86Å
508	K	78.8	Confident	87.5	Confident	158 Å²	158	70.2 Å²	70.2	69%	0.687	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.5	177.5	-63.9	-177.7	178.1	-178.4	0	113.2	L505 G506	L505-K508 WeakPolarHBondContact O-CB 3.49Å; L505-K508 PolarHBondContact O-N 3Å; G506-K508 PolarHBondContact O-N 3.43Å
509	I	83.5	Confident	86.9	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.118	37%	0.369	C	S	.	.	S	Bend	trans	-121	154	-178.7	59.1	168.3	0	0	0	110.2	V474 T502 L505 S507	V474-I509 HydrophobicContact CG2-CG2 3.96Å; T502-I509 HydrophobicContact CG2-CD1 3.77Å; L505-I509 HydrophobicContact CB-CD1 3.71Å; L505-I509 HydrophobicContact CB-CG1 3.92Å; L505-I509 HydrophobicContact CB-CG2 4.27Å; L505-I509 HydrophobicContact CD1-CD1 3.86Å; L505-I509 HydrophobicContact CD1-CG2 4.34Å; L505-I509 HydrophobicContact CG-CD1 4.44Å; S507-I509 PolarHBondContact O-N 2.86Å
510	R	84.7	Confident	86.1	Confident	167 Å²	167	73.5 Å²	73.5	63%	0.63	37%	0.369	S	S	*	.			trans	-65.6	161.1	172.4	-64.7	-179.5	-175.2	177	1.3	110.6	H473 L512	H473-R510 PolarHBondContact CE1-O 2.96Å; H473-R510 PolarHBondContact NE2-O 3.49Å; R510-L512 PolarHBondContact O-N 3.46Å
511	E	89.6	Confident	85.6	Confident	134 Å²	134	69.3 Å²	69.3	63%	0.626	35%	0.349	S	S	*	.			trans	-60.9	131.1	178.7	-173.6	175.6	-177.2	0	0	111.2	I513 A537 R538	E511-I513 HydrophobicContact CG-CG1 4.5Å; E511-A537 HydrophobicContact CB-CB 4.05Å; E511-A537 HydrophobicContact CG-CB 4.34Å; E511-A537 WeakPolarHBondContact O-CA 3.4Å; E511-R538 PolarHBondContact O-N 3.42Å
512	L	92.2	Very high	84.7	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.2	177.4	-174.8	69.7	0	0	0	109.5	I469 T502 R510 I514 R538 V540	I469-L512 HydrophobicContact CG2-CD2 4.27Å; T502-L512 HydrophobicContact CG2-CB 4.26Å; R510-L512 PolarHBondContact O-N 3.46Å; L512-I514 HydrophobicContact CD2-CG1 4.4Å; L512-I514 HydrophobicContact CG-CG1 4.35Å; L512-R538 CarbonylContact C-O 3.56Å; L512-R538 WeakPolarHBondContact CA-O 3.32Å; L512-R538 HydrophobicContact CD1-CB 4.21Å; L512-R538 HydrophobicContact CD1-CG 4.46Å; L512-V540 HydrophobicContact CD1-CB 4.22Å; L512-V540 HydrophobicContact CD1-CG1 3.96Å; L512-V540 HydrophobicContact CD2-CG1 4.25Å; L512-V540 HydrophobicContact CG-CG1 4.01Å
513	I	93.3	Very high	84	Confident	46 Å²	46	69.8 Å²	69.8	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.4	179.8	-57.4	170.5	0	0	0	108.4	E511 L515 P534 A537 R538 K539 V540	E511-I513 HydrophobicContact CG-CG1 4.5Å; I513-L515 HydrophobicContact CG2-CD1 4.44Å; I513-L515 HydrophobicContact CG2-CD2 4.17Å; I513-L515 HydrophobicContact CG2-CG 4.08Å; I513-P534 HydrophobicContact CD1-CG 4.2Å; I513-A537 HydrophobicContact CD1-CB 3.92Å; I513-A537 HydrophobicContact CG1-CB 4.35Å; I513-R538 PolarHBondContact N-O 2.96Å; I513-K539 CarbonylContact O-C 3.58Å; I513-K539 WeakPolarHBondContact O-CA 3.31Å; I513-V540 PolarHBondContact O-N 2.9Å
514	I	95	Very high	83.5	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.4	-177.5	-51.1	159.6	0	0	0	109.7	N495 L498 M499 L512 V540 L542	N495-I514 HydrophobicContact CB-CG2 4.47Å; N495-I514 WeakPolarHBondContact OD1-CG2 3.49Å; L498-I514 HydrophobicContact CB-CD1 3.63Å; M499-I514 HydrophobicContact CG-CD1 3.69Å; L512-I514 HydrophobicContact CD2-CG1 4.4Å; L512-I514 HydrophobicContact CG-CG1 4.35Å; I514-V540 HydrophobicContact CB-CG1 3.99Å; I514-V540 HydrophobicContact CG1-CG1 3.66Å; I514-V540 HydrophobicContact CG2-CG1 4.03Å; I514-L542 HydrophobicContact CG2-CD1 3.79Å; I514-L542 HydrophobicContact CG2-CG 4.23Å
515	L	94.4	Very high	83.2	Confident	29 Å²	29	60.3 Å²	60.3	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.1	-178.8	-61.2	179	0	0	0	111.3	I513 K528 I529 K539 V540 V541 L542	I513-L515 HydrophobicContact CG2-CD1 4.44Å; I513-L515 HydrophobicContact CG2-CD2 4.17Å; I513-L515 HydrophobicContact CG2-CG 4.08Å; L515-K528 HydrophobicContact CD1-CB 4.42Å; L515-K528 HydrophobicContact CD2-CB 4.37Å; L515-I529 HydrophobicContact CB-CG2 4.28Å; L515-I529 HydrophobicContact CD1-CG2 4.49Å; L515-K539 HydrophobicContact CD1-CD 3.65Å; L515-K539 HydrophobicContact CD1-CG 3.92Å; L515-K539 HydrophobicContact CG-CG 4.47Å; L515-V540 PolarHBondContact N-O 3.3Å; L515-V541 CarbonylContact O-C 3.57Å; L515-V541 VanDerWaalsContact O-CA 3.27Å; L515-V541 WeakPolarHBondContact O-CA 3.33Å; L515-L542 PolarHBondContact O-N 3.15Å
516	P	94.1	Very high	83.2	Confident	34 Å²	34	58.7 Å²	58.7	22%	0.221	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	151.1	174.1	31.8	-34.5	0	0	0	111.8	I491 Y518 L521 L542	I491-P516 HydrophobicContact CG2-CB 3.44Å; I491-P516 VanDerWaalsContact CG2-CB 3.44Å; P516-Y518 HydrophobicContact CB-CD1 4.47Å; P516-Y518 HydrophobicContact CB-CE1 4.17Å; P516-L521 WeakPolarHBondContact O-CD2 3.48Å; P516-L542 CarbonylContact C-O 3.53Å; P516-L542 WeakPolarHBondContact CA-O 3.12Å
517	I	90.9	Very high	83.5	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	119.5	166.7	-177.3	158.2	0	0	0	113.4	I529 V541 L542 A543 T544 L551	I517-I529 HydrophobicContact CB-CG2 4.43Å; I517-I529 HydrophobicContact CD1-CD1 3.24Å; I517-V541 HydrophobicContact CG2-CG1 3.58Å; I517-L542 PolarHBondContact N-O 3.28Å; I517-A543 HydrophobicContact CG2-CB 3.39Å; I517-A543 WeakPolarHBondContact O-CA 3.47Å; I517-T544 PolarHBondContact O-N 3.28Å; I517-T544 VanDerWaalsContact O-N 3.15Å; I517-T544 PolarHBondContact O-OG1 2.87Å; I517-L551 HydrophobicContact CD1-CD1 3.68Å
518	Y	87.4	Confident	83.9	Confident	25 Å²	25	59.4 Å²	59.4	10%	0.098	31%	0.31	C	S	.	.			trans	-151.8	166.4	174.7	51.2	-105.2	0	0	0	110.4	Q488 I491 E492 P516 S520 L521	Q488-Y518 HydrophobicContact CB-CD1 4.39Å; Q488-Y518 HydrophobicContact CB-CD2 4.45Å; Q488-Y518 HydrophobicContact CB-CE1 4.44Å; Q488-Y518 HydrophobicContact CB-CG 4.37Å; Q488-Y518 HydrophobicContact CG-CD1 4.33Å; Q488-Y518 HydrophobicContact CG-CD2 4.37Å; Q488-Y518 HydrophobicContact CG-CE1 3.89Å; Q488-Y518 HydrophobicContact CG-CE2 3.97Å; Q488-Y518 PolarHBondContact NE2-OH 3.19Å; I491-Y518 HydrophobicContact CB-CD1 4.42Å; I491-Y518 HydrophobicContact CD1-CD1 3.95Å; I491-Y518 HydrophobicContact CG2-CD1 4.07Å; I491-Y518 HydrophobicContact CG2-CE1 4.18Å; E492-Y518 PolarHBondContact OE1-OH 2.74Å; E492-Y518 VanDerWaalsContact OE1-OH 3.13Å; P516-Y518 HydrophobicContact CB-CD1 4.47Å; P516-Y518 HydrophobicContact CB-CE1 4.17Å; Y518-S520 WeakPolarHBondContact CD2-OG 3.42Å; Y518-S520 VanDerWaalsContact CE2-OG 3.23Å; Y518-S520 WeakPolarHBondContact CE2-OG 3.41Å; Y518-S520 PolarHBondContact O-N 2.9Å; Y518-L521 HydrophobicContact CD2-CB 3.83Å; Y518-L521 HydrophobicContact CE1-CD1 4.36Å; Y518-L521 HydrophobicContact CE2-CB 3.76Å; Y518-L521 HydrophobicContact CE2-CD1 4.06Å; Y518-L521 HydrophobicContact CG-CB 4.41Å; Y518-L521 WeakPolarHBondContact O-CB 3.37Å; Y518-L521 PolarHBondContact O-N 3.46Å
519	S	79.6	Confident	84.4	Confident	93 Å²	93	52 Å²	52	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.8	-164.8	46.2	0	0	0	0	114	L521	S519-L521 VanDerWaalsContact C-N 3.26Å; S519-L521 PolarHBondContact O-N 3.18Å
520	S	74.1	Confident	84.5	Confident	52 Å²	52	54.1 Å²	54.1	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.7	176.8	47.3	0	0	0	0	113.3	Q488 Y518	Q488-S520 PolarHBondContact OE1-OG 2.99Å; Q488-S520 VanDerWaalsContact OE1-OG 3.14Å; Y518-S520 WeakPolarHBondContact CD2-OG 3.42Å; Y518-S520 VanDerWaalsContact CE2-OG 3.23Å; Y518-S520 WeakPolarHBondContact CE2-OG 3.41Å; Y518-S520 PolarHBondContact O-N 2.9Å
521	L	77.7	Confident	84.6	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	28%	0.277	C	S	.	.	S	Bend	trans	-63	140.2	-178.5	-166.7	70.4	0	0	0	110.5	P516 Y518 S519 M525 Q526	P516-L521 WeakPolarHBondContact O-CD2 3.48Å; Y518-L521 HydrophobicContact CD2-CB 3.83Å; Y518-L521 HydrophobicContact CE1-CD1 4.36Å; Y518-L521 HydrophobicContact CE2-CB 3.76Å; Y518-L521 HydrophobicContact CE2-CD1 4.06Å; Y518-L521 HydrophobicContact CG-CB 4.41Å; Y518-L521 WeakPolarHBondContact O-CB 3.37Å; Y518-L521 PolarHBondContact O-N 3.46Å; S519-L521 VanDerWaalsContact C-N 3.26Å; S519-L521 PolarHBondContact O-N 3.18Å; L521-M525 HydrophobicContact CD1-CB 4.18Å; L521-M525 HydrophobicContact CD1-SD 3.94Å; L521-M525 HydrophobicContact CD2-CB 3.95Å; L521-M525 HydrophobicContact CG-CB 3.85Å; L521-Q526 HydrophobicContact CB-CG 3.98Å; L521-Q526 HydrophobicContact CD2-CG 3.92Å; L521-Q526 HydrophobicContact CG-CG 4.18Å; L521-Q526 PolarHBondContact O-NE2 3.3Å
522	P	69.8	Low	84.5	Confident	27 Å²	27	47.9 Å²	47.9	18%	0.175	28%	0.284	C	S	.	.			trans	-61.7	150.4	176.3	-26.3	36.9	0	0	0	114.1	D524 M525 Q526	P522-D524 WeakPolarHBondContact CB-OD1 3.47Å; P522-D524 PolarHBondContact O-N 3.04Å; P522-M525 PolarHBondContact O-N 3.41Å; P522-M525 VanDerWaalsContact O-N 3.11Å; P522-Q526 WeakPolarHBondContact O-CG 3.48Å; P522-Q526 PolarHBondContact O-N 3.14Å
523	S	73.8	Confident	84.3	Confident	74 Å²	74	49 Å²	49	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-36.5	-172.5	49	0	0	0	0	114.3	Q526 A527	S523-Q526 PolarHBondContact O-N 3.39Å; S523-A527 WeakPolarHBondContact O-CB 3.18Å; S523-A527 PolarHBondContact O-N 3.43Å
524	D	74.4	Confident	84.1	Confident	66 Å²	66	50 Å²	50	35%	0.353	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-37.1	173.1	60.3	-44	0	0	0	112.5	P522 A527 K528 R776	P522-D524 WeakPolarHBondContact CB-OD1 3.47Å; P522-D524 PolarHBondContact O-N 3.04Å; D524-A527 PolarHBondContact O-N 3.42Å; D524-K528 PolarHBondContact O-N 3.26Å; D524-R776 VanDerWaalsContact CG-NH2 3.31Å; D524-R776 IonicContact OD1-CZ 3.52Å; D524-R776 VanDerWaalsContact OD1-CZ 3.29Å; D524-R776 IonicContact OD1-NH1 3.64Å; D524-R776 PolarHBondContact OD1-NH1 3.04Å; D524-R776 IonicContact OD1-NH2 3.04Å; D524-R776 PolarHBondContact OD1-NH2 3.08Å; D524-R776 IonicContact OD2-CZ 2.72Å; D524-R776 VanDerWaalsContact OD2-CZ 3.25Å; D524-R776 IonicContact OD2-NH1 2.65Å; D524-R776 PolarHBondContact OD2-NH1 3.3Å; D524-R776 IonicContact OD2-NH2 2.76Å; D524-R776 PolarHBondContact OD2-NH2 3.25Å
525	M	79.3	Confident	83.7	Confident	87 Å²	87	55.5 Å²	55.5	43%	0.429	34%	0.338	S	S	.	.	H	α-helix	trans	-73.4	-41	175.1	-70.5	-169.2	176	0	0	111.4	L521 P522 A527 K528	L521-M525 HydrophobicContact CD1-CB 4.18Å; L521-M525 HydrophobicContact CD1-SD 3.94Å; L521-M525 HydrophobicContact CD2-CB 3.95Å; L521-M525 HydrophobicContact CG-CB 3.85Å; P522-M525 PolarHBondContact O-N 3.41Å; P522-M525 VanDerWaalsContact O-N 3.11Å; M525-A527 PolarHBondContact O-N 2.89Å; M525-K528 WeakPolarHBondContact O-CB 3.4Å; M525-K528 PolarHBondContact O-N 2.96Å
526	Q	81.5	Confident	83.2	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.065	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-37.3	171.4	-66.4	-177.8	24.6	0	0	111.1	V326 L521 P522 S523 K528 I529	V326-Q526 VanDerWaalsContact CG1-OE1 3.28Å; L521-Q526 HydrophobicContact CB-CG 3.98Å; L521-Q526 HydrophobicContact CD2-CG 3.92Å; L521-Q526 HydrophobicContact CG-CG 4.18Å; L521-Q526 PolarHBondContact O-NE2 3.3Å; P522-Q526 WeakPolarHBondContact O-CG 3.48Å; P522-Q526 PolarHBondContact O-N 3.14Å; S523-Q526 PolarHBondContact O-N 3.39Å; Q526-K528 PolarHBondContact O-N 3.35Å; Q526-I529 VanDerWaalsContact O-CG1 3.24Å; Q526-I529 WeakPolarHBondContact O-CG1 3.24Å; Q526-I529 PolarHBondContact O-N 2.67Å
527	A	81.9	Confident	83	Confident	53 Å²	53	56.1 Å²	56.1	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-28.6	179.3	0	0	0	0	0	113.2	S523 D524 M525 I529 F530	S523-A527 WeakPolarHBondContact O-CB 3.18Å; S523-A527 PolarHBondContact O-N 3.43Å; D524-A527 PolarHBondContact O-N 3.42Å; M525-A527 PolarHBondContact O-N 2.89Å; A527-I529 PolarHBondContact O-N 2.88Å; A527-F530 WeakPolarHBondContact O-CD2 3.31Å; A527-F530 PolarHBondContact O-N 3.21Å; A527-F530 VanDerWaalsContact O-N 3.14Å
528	K	86.3	Confident	83.2	Confident	122 Å²	122	56.8 Å²	56.8	53%	0.53	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.2	179.5	-67.3	-177	178.1	-176.3	0	113.2	L515 D524 M525 Q526 F530 A531	L515-K528 HydrophobicContact CD1-CB 4.42Å; L515-K528 HydrophobicContact CD2-CB 4.37Å; D524-K528 PolarHBondContact O-N 3.26Å; M525-K528 WeakPolarHBondContact O-CB 3.4Å; M525-K528 PolarHBondContact O-N 2.96Å; Q526-K528 PolarHBondContact O-N 3.35Å; K528-F530 PolarHBondContact O-N 2.99Å; K528-A531 WeakPolarHBondContact O-CB 3.35Å; K528-A531 PolarHBondContact O-N 2.67Å
529	I	88.3	Confident	83.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.3	-27.4	179.5	81.5	-171.5	0	0	0	111.9	L515 I517 Q526 A527 A531 K539 V541 I553	L515-I529 HydrophobicContact CB-CG2 4.28Å; L515-I529 HydrophobicContact CD1-CG2 4.49Å; I517-I529 HydrophobicContact CB-CG2 4.43Å; I517-I529 HydrophobicContact CD1-CD1 3.24Å; Q526-I529 VanDerWaalsContact O-CG1 3.24Å; Q526-I529 WeakPolarHBondContact O-CG1 3.24Å; Q526-I529 PolarHBondContact O-N 2.67Å; A527-I529 PolarHBondContact O-N 2.88Å; I529-A531 VanDerWaalsContact C-N 3.33Å; I529-K539 PolarHBondContact O-NZ 3.4Å; I529-V541 HydrophobicContact CG2-CG1 4.37Å; I529-I553 HydrophobicContact CD1-CD1 3.96Å; I529-I553 HydrophobicContact CD1-CG1 3.97Å; I529-I553 HydrophobicContact CG1-CD1 4.4Å; I529-I553 HydrophobicContact CG1-CG1 4.17Å
530	F	86.9	Confident	84.4	Confident	69 Å²	69	51.4 Å²	51.4	30%	0.303	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-84.9	-9.5	-178.8	-53	-69.4	0	0	0	112.5	A527 K528 L551 T552	A527-F530 WeakPolarHBondContact O-CD2 3.31Å; A527-F530 PolarHBondContact O-N 3.21Å; A527-F530 VanDerWaalsContact O-N 3.14Å; K528-F530 PolarHBondContact O-N 2.99Å; F530-L551 HydrophobicContact CE1-CD2 4.49Å; F530-L551 HydrophobicContact CZ-CD2 4.04Å; F530-T552 WeakPolarHBondContact CD1-O 3.45Å
531	A	86.5	Confident	85.4	Confident	51 Å²	51	49 Å²	49	42%	0.421	31%	0.306	S	S	.	.	S	Bend	trans	-64.9	138	174	0	0	0	0	0	109.8	K528 I529 K539	K528-A531 WeakPolarHBondContact O-CB 3.35Å; K528-A531 PolarHBondContact O-N 2.67Å; I529-A531 VanDerWaalsContact C-N 3.33Å; A531-K539 PolarHBondContact O-NZ 3.4Å
532	P	86.6	Confident	86.3	Confident	119 Å²	119	48.7 Å²	48.7	77%	0.773	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-63.9	143.3	175.2	27.7	-34	0	0	0	109.9
533	T	89.2	Confident	87.5	Confident	38 Å²	38	47.4 Å²	47.4	23%	0.233	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-73.2	128.4	-179.6	-58	0	0	0	0	109.8	D480 A537 K539	D480-T533 VanDerWaalsContact CG-OG1 3.25Å; D480-T533 PolarHBondContact OD1-OG1 3.46Å; D480-T533 VanDerWaalsContact OD1-OG1 3.1Å; D480-T533 PolarHBondContact OD2-OG1 2.61Å; T533-A537 HydrophobicContact CG2-CB 4.33Å; T533-A537 VanDerWaalsContact CG2-O 3.32Å; T533-A537 WeakPolarHBondContact CG2-O 3.45Å; T533-K539 HydrophobicContact CG2-CB 4.11Å; T533-K539 WeakPolarHBondContact OG1-CB 3.38Å; T533-K539 WeakPolarHBondContact OG1-CE 3.47Å
534	P	88.5	Confident	88.4	Confident	68 Å²	68	44.3 Å²	44.3	44%	0.442	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.1	148.7	176.8	-24.2	33.9	0	0	0	112.6	I513 G536 A537	I513-P534 HydrophobicContact CD1-CG 4.2Å; P534-G536 PolarHBondContact O-N 2.92Å; P534-A537 PolarHBondContact O-N 3.17Å; P534-A537 VanDerWaalsContact O-N 3.15Å
535	P	85.6	Confident	89.1	Confident	137 Å²	137	44.1 Å²	44.1	89%	0.89	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.5	179.2	24.8	-33.1	0	0	0	111.3	A537	P535-A537 VanDerWaalsContact C-N 3.32Å
536	G	85	Confident	89.4	Confident	58 Å²	58	40.8 Å²	40.8	60%	0.598	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-9.4	-178.4	0	0	0	0	0	115.1	P534	P534-G536 PolarHBondContact O-N 2.92Å
537	A	90.3	Very high	89.7	Confident	18 Å²	18	40.1 Å²	40.1	15%	0.149	25%	0.254	C	S	.	.			trans	-100.8	159.5	172.3	0	0	0	0	0	111.3	E511 I513 T533 P534 P535	E511-A537 HydrophobicContact CB-CB 4.05Å; E511-A537 HydrophobicContact CG-CB 4.34Å; E511-A537 WeakPolarHBondContact O-CA 3.4Å; I513-A537 HydrophobicContact CD1-CB 3.92Å; I513-A537 HydrophobicContact CG1-CB 4.35Å; T533-A537 HydrophobicContact CG2-CB 4.33Å; T533-A537 VanDerWaalsContact CG2-O 3.32Å; T533-A537 WeakPolarHBondContact CG2-O 3.45Å; P534-A537 PolarHBondContact O-N 3.17Å; P534-A537 VanDerWaalsContact O-N 3.15Å; P535-A537 VanDerWaalsContact C-N 3.32Å
538	R	94.4	Very high	89.8	Confident	14 Å²	14	38.9 Å²	38.9	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.5	168.7	-171	-176.6	-60.6	-113.7	7.7	109.1	I472 H473 Q476 P477 G479 E511 L512 I513	I472-R538 PolarHBondContact O-NH2 3.01Å; H473-R538 WeakPolarHBondContact ND1-CD 3.49Å; H473-R538 PolarHBondContact ND1-NE 2.95Å; Q476-R538 PolarHBondContact O-NH2 2.73Å; P477-R538 PolarHBondContact O-NH1 3.23Å; P477-R538 VanDerWaalsContact O-NH1 3.17Å; P477-R538 PolarHBondContact O-NH2 2.87Å; G479-R538 WeakPolarHBondContact O-CD 3.32Å; G479-R538 VanDerWaalsContact O-CG 3.3Å; G479-R538 WeakPolarHBondContact O-CG 3.45Å; G479-R538 PolarHBondContact O-NH1 3.26Å; E511-R538 PolarHBondContact O-N 3.42Å; L512-R538 CarbonylContact C-O 3.56Å; L512-R538 WeakPolarHBondContact CA-O 3.32Å; L512-R538 HydrophobicContact CD1-CB 4.21Å; L512-R538 HydrophobicContact CD1-CG 4.46Å; I513-R538 PolarHBondContact N-O 2.96Å
539	K	95	Very high	89.3	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.5	172.6	175.6	-179.4	57.1	-176.1	0	109.7	D480 I481 I513 L515 I529 A531 T533 V541	D480-K539 WeakPolarHBondContact CA-O 3.43Å; D480-K539 HydrophobicContact CB-CB 4.29Å; D480-K539 WeakPolarHBondContact CB-O 3.19Å; D480-K539 WeakPolarHBondContact OD1-CB 3.28Å; D480-K539 PolarHBondContact OD1-N 3.15Å; D480-K539 WeakPolarHBondContact OD2-CE 3.4Å; D480-K539 IonicContact OD2-NZ 3.11Å; I481-K539 PolarHBondContact N-O 3.33Å; I513-K539 CarbonylContact O-C 3.58Å; I513-K539 WeakPolarHBondContact O-CA 3.31Å; L515-K539 HydrophobicContact CD1-CD 3.65Å; L515-K539 HydrophobicContact CD1-CG 3.92Å; L515-K539 HydrophobicContact CG-CG 4.47Å; I529-K539 PolarHBondContact O-NZ 3.4Å; A531-K539 PolarHBondContact O-NZ 3.4Å; T533-K539 HydrophobicContact CG2-CB 4.11Å; T533-K539 WeakPolarHBondContact OG1-CB 3.38Å; T533-K539 WeakPolarHBondContact OG1-CE 3.47Å; K539-V541 HydrophobicContact CD-CG2 4.18Å; K539-V541 HydrophobicContact CG-CG2 4.07Å
540	V	96.4	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.5	168.4	61	0	0	0	0	109.4	I469 I481 V483 L512 I513 I514 L515 L542	I469-V540 HydrophobicContact CD1-CG2 4.06Å; I469-V540 HydrophobicContact CG1-CG2 4.21Å; I469-V540 HydrophobicContact CG2-CG2 4.1Å; I481-V540 HydrophobicContact CB-CB 4.24Å; I481-V540 HydrophobicContact CB-CG2 3.98Å; I481-V540 HydrophobicContact CG2-CG2 4.13Å; I481-V540 CarbonylContact O-C 3.55Å; I481-V540 WeakPolarHBondContact O-CA 3.38Å; V483-V540 HydrophobicContact CG2-CG2 4.14Å; L512-V540 HydrophobicContact CD1-CB 4.22Å; L512-V540 HydrophobicContact CD1-CG1 3.96Å; L512-V540 HydrophobicContact CD2-CG1 4.25Å; L512-V540 HydrophobicContact CG-CG1 4.01Å; I513-V540 PolarHBondContact O-N 2.9Å; I514-V540 HydrophobicContact CB-CG1 3.99Å; I514-V540 HydrophobicContact CG1-CG1 3.66Å; I514-V540 HydrophobicContact CG2-CG1 4.03Å; L515-V540 PolarHBondContact N-O 3.3Å; V540-L542 HydrophobicContact CG2-CD2 4.16Å
541	V	96.5	Very high	88.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115	178.7	-176.5	0	0	0	0	108.9	I481 L482 V483 L515 I517 I529 K539 A543 I553	I481-V541 PolarHBondContact O-N 2.81Å; L482-V541 HydrophobicContact CD1-CB 3.86Å; L482-V541 HydrophobicContact CD1-CG1 3.86Å; V483-V541 PolarHBondContact N-O 3.26Å; L515-V541 CarbonylContact O-C 3.57Å; L515-V541 VanDerWaalsContact O-CA 3.27Å; L515-V541 WeakPolarHBondContact O-CA 3.33Å; I517-V541 HydrophobicContact CG2-CG1 3.58Å; I529-V541 HydrophobicContact CG2-CG1 4.37Å; K539-V541 HydrophobicContact CD-CG2 4.18Å; K539-V541 HydrophobicContact CG-CG2 4.07Å; V541-A543 HydrophobicContact CG1-CB 4.46Å; V541-I553 HydrophobicContact CG1-CD1 4.05Å; V541-I553 HydrophobicContact CG2-CD1 4.47Å; V541-I553 HydrophobicContact CG2-CG2 4.48Å
542	L	96.9	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	105.4	176.2	-57.8	178.6	0	0	0	108.7	I469 V483 L485 I491 A494 N495 L498 I514 L515 P516 I517 V540	I469-L542 HydrophobicContact CD1-CD2 4.04Å; V483-L542 HydrophobicContact CB-CD2 3.94Å; V483-L542 HydrophobicContact CG1-CD2 4.41Å; V483-L542 HydrophobicContact CG2-CD2 4.12Å; L485-L542 HydrophobicContact CD1-CB 4.46Å; I491-L542 HydrophobicContact CG1-CB 4.43Å; I491-L542 HydrophobicContact CG2-CB 3.93Å; A494-L542 HydrophobicContact CB-CD1 4.16Å; N495-L542 HydrophobicContact CB-CD1 3.95Å; L498-L542 HydrophobicContact CD1-CD1 4.1Å; L498-L542 HydrophobicContact CD1-CD2 4.09Å; I514-L542 HydrophobicContact CG2-CD1 3.79Å; I514-L542 HydrophobicContact CG2-CG 4.23Å; L515-L542 PolarHBondContact O-N 3.15Å; P516-L542 CarbonylContact C-O 3.53Å; P516-L542 WeakPolarHBondContact CA-O 3.12Å; I517-L542 PolarHBondContact N-O 3.28Å; V540-L542 HydrophobicContact CG2-CD2 4.16Å
543	A	95.1	Very high	87.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.2	-167.1	0	0	0	0	0	113.4	L482 V483 F484 L485 I517 V541 A547	L482-A543 HydrophobicContact CD1-CB 3.73Å; V483-A543 PolarHBondContact O-N 3.35Å; F484-A543 CarbonylContact C-O 3.43Å; F484-A543 WeakPolarHBondContact CA-O 3.34Å; L485-A543 PolarHBondContact N-O 2.93Å; I517-A543 HydrophobicContact CG2-CB 3.39Å; I517-A543 WeakPolarHBondContact O-CA 3.47Å; V541-A543 HydrophobicContact CG1-CB 4.46Å; A543-A547 HydrophobicContact CB-CB 3.48Å; A543-A547 VanDerWaalsContact CB-CB 3.48Å
544	T	92.7	Very high	87	Confident	9 Å²	9	29.2 Å²	29.2	6%	0.055	19%	0.185	C	C	.	.			trans	-79.1	-175.9	159	51.4	0	0	0	0	110.6	L485 I491 I517 I546 A547	L485-T544 WeakPolarHBondContact O-CA 3.48Å; I491-T544 HydrophobicContact CD1-CG2 3.59Å; I517-T544 PolarHBondContact O-N 3.28Å; I517-T544 VanDerWaalsContact O-N 3.15Å; I517-T544 PolarHBondContact O-OG1 2.87Å; T544-I546 PolarHBondContact O-N 2.8Å; T544-I546 WeakPolarHBondContact OG1-CD1 3.49Å; T544-I546 WeakPolarHBondContact OG1-CG1 3.45Å; T544-A547 PolarHBondContact O-N 2.89Å; T544-A547 VanDerWaalsContact O-N 3.16Å
545	N	88.4	Confident	86.9	Confident	63 Å²	63	27.3 Å²	27.3	34%	0.337	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-53.6	-10.1	170.4	67.1	-24.9	0	0	0	114.4	R324 A547 E548	R324-N545 PolarHBondContact NH1-O 2.85Å; R324-N545 PolarHBondContact NH2-O 2.79Å; N545-A547 PolarHBondContact O-N 2.98Å; N545-E548 WeakPolarHBondContact O-CB 3.5Å; N545-E548 PolarHBondContact O-N 3.42Å
546	I	85	Confident	87.2	Confident	16 Å²	16	21.3 Å²	21.3	8%	0.082	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.5	174.3	-60.2	175.3	0	0	0	112.8	R324 T544 E548 L551	R324-I546 PolarHBondContact NH1-O 3.01Å; T544-I546 PolarHBondContact O-N 2.8Å; T544-I546 WeakPolarHBondContact OG1-CD1 3.49Å; T544-I546 WeakPolarHBondContact OG1-CG1 3.45Å; I546-E548 VanDerWaalsContact C-N 3.32Å; I546-L551 HydrophobicContact CG2-CD1 3.88Å; I546-L551 VanDerWaalsContact O-CD1 3.31Å; I546-L551 WeakPolarHBondContact O-CD1 3.38Å
547	A	87.8	Confident	87.6	Confident	1 Å²	1	20 Å²	20	1%	0.008	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-84	-6.5	174.9	0	0	0	0	0	113.5	L482 F484 A543 T544 N545 T549 R595	L482-A547 HydrophobicContact CD1-CB 4.07Å; L482-A547 HydrophobicContact CD2-CB 4.37Å; F484-A547 HydrophobicContact CE1-CB 3.94Å; F484-A547 HydrophobicContact CZ-CB 4.3Å; A543-A547 HydrophobicContact CB-CB 3.48Å; A543-A547 VanDerWaalsContact CB-CB 3.48Å; T544-A547 PolarHBondContact O-N 2.89Å; T544-A547 VanDerWaalsContact O-N 3.16Å; N545-A547 PolarHBondContact O-N 2.98Å; A547-T549 PolarHBondContact O-N 3.05Å; A547-R595 WeakPolarHBondContact O-CD 3.3Å; A547-R595 PolarHBondContact O-NE 3.13Å
548	E	84.6	Confident	87.9	Confident	27 Å²	27	19.5 Å²	19.5	13%	0.126	11%	0.111	C	C	.	.	S	Bend	trans	-70.8	-28.9	-172.8	-172.4	175	137	0	0	113.7	F484 N545 I546 A588 Q591 R592 R595	F484-E548 HydrophobicContact CE1-CB 4.1Å; N545-E548 WeakPolarHBondContact O-CB 3.5Å; N545-E548 PolarHBondContact O-N 3.42Å; I546-E548 VanDerWaalsContact C-N 3.32Å; E548-A588 WeakPolarHBondContact OE1-CA 3.34Å; E548-A588 WeakPolarHBondContact OE1-CB 3.46Å; E548-Q591 HydrophobicContact CG-CB 3.98Å; E548-R592 HydrophobicContact CG-CG 3.91Å; E548-R592 IonicContact OE2-CZ 3.5Å; E548-R592 IonicContact OE2-NE 2.65Å; E548-R592 PolarHBondContact OE2-NE 3.06Å; E548-R592 VanDerWaalsContact OE2-NE 3.16Å; E548-R592 IonicContact OE2-NH2 2.78Å; E548-R595 VanDerWaalsContact C-NE 3.35Å; E548-R595 PolarHBondContact O-NE 2.83Å; E548-R595 PolarHBondContact O-NH2 3.21Å
549	T	76.5	Confident	88	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.012	11%	0.109	C	C	.	.	S	Bend	trans	-139	149.4	-173.4	52.3	0	0	0	0	109.5	R324 H393 E394 A547 L551	R324-T549 PolarHBondContact NH1-O 3.15Å; R324-T549 PolarHBondContact NH1-OG1 3.38Å; R324-T549 PolarHBondContact NH2-OG1 2.75Å; H393-T549 VanDerWaalsContact NE2-CG2 3.25Å; H393-T549 WeakPolarHBondContact NE2-CG2 3.35Å; E394-T549 HydrophobicContact CG-CG2 4.02Å; E394-T549 WeakPolarHBondContact OE1-CB 3.12Å; E394-T549 PolarHBondContact OE1-OG1 2.95Å; A547-T549 PolarHBondContact O-N 3.05Å; T549-L551 PolarHBondContact O-N 2.87Å
550	S	71.5	Confident	88.1	Confident	11 Å²	11	18.5 Å²	18.5	8%	0.077	11%	0.108	C	C	.	.	S	Bend	trans	59.6	-21.3	173.1	-31	0	0	0	0	120.2	A327 E391	A327-S550 VanDerWaalsContact CB-CB 3.47Å; E391-S550 VanDerWaalsContact CD-OG 3.29Å; E391-S550 VanDerWaalsContact CG-OG 3.25Å; E391-S550 WeakPolarHBondContact CG-OG 3.39Å; E391-S550 WeakPolarHBondContact OE1-CA 3.39Å; E391-S550 WeakPolarHBondContact OE1-CB 3.44Å; E391-S550 PolarHBondContact OE1-N 2.98Å; E391-S550 PolarHBondContact OE1-OG 3.2Å
551	L	77.4	Confident	88.1	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.016	11%	0.108	C	C	.	.			trans	-85.2	117	177.9	-69.5	-171	0	0	0	111.6	V326 I517 F530 I546 T549 R595	V326-L551 HydrophobicContact CG1-CD2 3.97Å; I517-L551 HydrophobicContact CD1-CD1 3.68Å; F530-L551 HydrophobicContact CE1-CD2 4.49Å; F530-L551 HydrophobicContact CZ-CD2 4.04Å; I546-L551 HydrophobicContact CG2-CD1 3.88Å; I546-L551 VanDerWaalsContact O-CD1 3.31Å; I546-L551 WeakPolarHBondContact O-CD1 3.38Å; T549-L551 PolarHBondContact O-N 2.87Å; L551-R595 PolarHBondContact O-NH1 3.29Å
552	T	75.5	Confident	88.1	Confident	75 Å²	75	18.5 Å²	18.5	46%	0.46	11%	0.108	S	C	.	.			trans	-97.1	96.6	174.5	53.3	0	0	0	0	110.3	F530	F530-T552 WeakPolarHBondContact CD1-O 3.45Å
553	I	83.6	Confident	88	Confident	9 Å²	9	18.7 Å²	18.7	5%	0.046	11%	0.109	C	C	.	.			trans	-94.6	114.5	171.4	-54.7	169.3	0	0	0	107.3	L482 I529 V541 I556	L482-I553 HydrophobicContact CD1-CD1 4.27Å; I529-I553 HydrophobicContact CD1-CD1 3.96Å; I529-I553 HydrophobicContact CD1-CG1 3.97Å; I529-I553 HydrophobicContact CG1-CD1 4.4Å; I529-I553 HydrophobicContact CG1-CG1 4.17Å; V541-I553 HydrophobicContact CG1-CD1 4.05Å; V541-I553 HydrophobicContact CG2-CD1 4.47Å; V541-I553 HydrophobicContact CG2-CG2 4.48Å; I553-I556 HydrophobicContact CB-CD1 4.38Å; I553-I556 HydrophobicContact CB-CG1 3.86Å; I553-I556 HydrophobicContact CG2-CD1 3.79Å; I553-I556 HydrophobicContact CG2-CG1 3.75Å
554	D	80.6	Confident	88	Confident	97 Å²	97	22 Å²	22	52%	0.519	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	146.8	176.8	-64.4	-30.2	0	0	0	110.4
555	G	86.9	Confident	88	Confident	27 Å²	27	22.1 Å²	22.1	28%	0.278	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-5.7	177.2	0	0	0	0	0	116.1	D480 I557	D480-G555 WeakPolarHBondContact CB-O 3.25Å; D480-G555 PolarHBondContact N-O 2.98Å; G555-I557 PolarHBondContact O-N 3.12Å; G555-I557 VanDerWaalsContact O-N 3.13Å
556	I	91.4	Very high	88.1	Confident	11 Å²	11	21.6 Å²	21.6	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	111.8	177.9	-56.9	-55.9	0	0	0	110.6	D480 L482 I553 V559	D480-I556 HydrophobicContact CB-CD1 3.83Å; L482-I556 HydrophobicContact CB-CD1 3.96Å; L482-I556 HydrophobicContact CB-CG1 4.31Å; L482-I556 HydrophobicContact CB-CG2 3.78Å; I553-I556 HydrophobicContact CB-CD1 4.38Å; I553-I556 HydrophobicContact CB-CG1 3.86Å; I553-I556 HydrophobicContact CG2-CD1 3.79Å; I553-I556 HydrophobicContact CG2-CG1 3.75Å; I556-V559 HydrophobicContact CG2-CG2 3.99Å
557	I	93.8	Very high	88.3	Confident	30 Å²	30	22.6 Å²	22.6	15%	0.154	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-31.5	175.2	-66.7	-176.4	0	0	0	110.3	D480 G555 A596 A600 A601 G602 K603	D480-I557 PolarHBondContact O-N 3.36Å; G555-I557 PolarHBondContact O-N 3.12Å; G555-I557 VanDerWaalsContact O-N 3.13Å; I557-A596 WeakPolarHBondContact O-CB 3.38Å; I557-A600 HydrophobicContact CD1-CB 4.14Å; I557-A601 WeakPolarHBondContact CG2-O 3.33Å; I557-G602 CarbonylContact O-C 3.6Å; I557-G602 WeakPolarHBondContact O-CA 3.37Å; I557-K603 PolarHBondContact O-N 3.45Å
558	Y	96.2	Very high	88.2	Confident	8 Å²	8	28 Å²	28	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.6	-177.2	-53.8	-76.8	0	0	0	110.2	I472 Q476 P477 D480 I481 L482 K603 F605	I472-Y558 HydrophobicContact CG2-CD1 3.92Å; I472-Y558 HydrophobicContact CG2-CD2 3.85Å; I472-Y558 HydrophobicContact CG2-CE1 4.37Å; I472-Y558 HydrophobicContact CG2-CE2 4.34Å; I472-Y558 HydrophobicContact CG2-CG 3.63Å; Q476-Y558 HydrophobicContact CB-CE1 3.78Å; Q476-Y558 HydrophobicContact CB-CE2 4.31Å; Q476-Y558 WeakPolarHBondContact CB-OH 3.06Å; Q476-Y558 HydrophobicContact CG-CE1 3.93Å; P477-Y558 WeakPolarHBondContact CD-OH 3.22Å; P477-Y558 PolarHBondContact O-OH 2.96Å; D480-Y558 PolarHBondContact O-N 3.02Å; D480-Y558 VanDerWaalsContact O-N 3.09Å; I481-Y558 CarbonylContact C-O 3.43Å; I481-Y558 VanDerWaalsContact CA-O 3.31Å; I481-Y558 WeakPolarHBondContact CA-O 3.37Å; I481-Y558 HydrophobicContact CG1-CD2 4.35Å; L482-Y558 PolarHBondContact N-O 3.11Å; Y558-K603 CarbonylContact C-O 3.49Å; Y558-K603 WeakPolarHBondContact CA-O 3.49Å; Y558-K603 HydrophobicContact CD1-CB 4.11Å; Y558-K603 HydrophobicContact CE1-CB 4.45Å; Y558-K603 HydrophobicContact CE1-CD 4.16Å; Y558-K603 HydrophobicContact CE1-CG 4.37Å; Y558-F605 HydrophobicContact CD1-CE2 4.12Å
559	V	96.4	Very high	88.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.1	172.8	175.7	0	0	0	0	108.4	L482 F484 I556 R595 A596 K603 C604 F605	L482-V559 HydrophobicContact CB-CG2 4.47Å; L482-V559 CarbonylContact O-C 3.56Å; L482-V559 VanDerWaalsContact O-CA 3.32Å; L482-V559 WeakPolarHBondContact O-CA 3.24Å; F484-V559 HydrophobicContact CD2-CG1 4.07Å; F484-V559 HydrophobicContact CE2-CG1 3.91Å; I556-V559 HydrophobicContact CG2-CG2 3.99Å; V559-R595 HydrophobicContact CG2-CB 4.05Å; V559-A596 HydrophobicContact CG2-CB 3.87Å; V559-K603 PolarHBondContact N-O 3.26Å; V559-C604 HydrophobicContact CB-CB 4.32Å; V559-C604 CarbonylContact O-C 3.51Å; V559-C604 WeakPolarHBondContact O-CA 3.25Å; V559-F605 PolarHBondContact O-N 3.4Å
560	I	97.3	Very high	88.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.6	168.2	-63.4	166.1	0	0	0	107.4	A465 I469 I472 I481 L482 V483 F484 F605 L607	A465-I560 HydrophobicContact CB-CG2 4.34Å; I469-I560 HydrophobicContact CB-CD1 4.42Å; I469-I560 HydrophobicContact CG1-CD1 3.54Å; I472-I560 HydrophobicContact CD1-CD1 3.86Å; I472-I560 HydrophobicContact CD1-CG1 3.96Å; I481-I560 HydrophobicContact CG2-CD1 3.93Å; I481-I560 HydrophobicContact CG2-CG1 4.37Å; L482-I560 PolarHBondContact O-N 2.83Å; V483-I560 WeakPolarHBondContact CA-O 3.3Å; V483-I560 HydrophobicContact CB-CB 4.41Å; V483-I560 HydrophobicContact CG1-CB 4.24Å; V483-I560 HydrophobicContact CG1-CG2 4.24Å; V483-I560 HydrophobicContact CG2-CB 3.97Å; V483-I560 HydrophobicContact CG2-CD1 3.89Å; V483-I560 HydrophobicContact CG2-CG1 4.39Å; F484-I560 PolarHBondContact N-O 3.43Å; I560-F605 CarbonylContact C-O 3.58Å; I560-F605 WeakPolarHBondContact CA-O 3.46Å; I560-F605 HydrophobicContact CG1-CB 4.36Å; I560-L607 HydrophobicContact CG2-CD1 3.85Å; I560-L607 HydrophobicContact CG2-CD2 4.27Å; I560-L607 HydrophobicContact CG2-CG 3.98Å
561	D	96.7	Very high	89	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	-179.9	-169.6	0.5	0	0	0	110.5	G563 I584 R592 F605 R606 L607 Y608	D561-G563 VanDerWaalsContact C-N 3.26Å; D561-G563 PolarHBondContact O-N 2.9Å; D561-G563 PolarHBondContact OD1-N 2.91Å; D561-I584 WeakPolarHBondContact OD2-CD1 3.04Å; D561-R592 VanDerWaalsContact CG-CD 3.47Å; D561-R592 WeakPolarHBondContact OD1-CD 3.44Å; D561-R592 IonicContact OD1-CZ 3.19Å; D561-R592 IonicContact OD1-NE 2.72Å; D561-R592 IonicContact OD1-NH1 2.96Å; D561-R592 PolarHBondContact OD1-NH1 2.86Å; D561-R592 VanDerWaalsContact OD2-CD 3.27Å; D561-R592 WeakPolarHBondContact OD2-CD 3.45Å; D561-F605 PolarHBondContact N-O 2.84Å; D561-R606 HydrophobicContact CB-CG 4.29Å; D561-R606 WeakPolarHBondContact O-CA 3.36Å; D561-L607 PolarHBondContact O-N 3.38Å; D561-Y608 HydrophobicContact CB-CE1 4.48Å
562	T	95.9	Very high	88.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.			trans	-74	-15.6	177	55	0	0	0	0	113.2	Y461 A465 F484 L485 F564 L607	Y461-T562 HydrophobicContact CD2-CG2 3.79Å; Y461-T562 HydrophobicContact CG-CG2 4.48Å; A465-T562 HydrophobicContact CB-CG2 4.46Å; F484-T562 WeakPolarHBondContact O-CB 3.31Å; F484-T562 WeakPolarHBondContact O-CG2 3.36Å; F484-T562 PolarHBondContact O-OG1 3.21Å; L485-T562 HydrophobicContact CD2-CG2 4.08Å; T562-F564 VanDerWaalsContact C-N 3.32Å; T562-F564 WeakPolarHBondContact O-CD2 3.42Å; T562-F564 WeakPolarHBondContact O-CE2 3.29Å; T562-F564 PolarHBondContact O-N 2.99Å; T562-L607 HydrophobicContact CG2-CD1 3.99Å
563	G	94.8	Very high	88.7	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.031	20%	0.196	C	C	.	.	S	Bend	trans	82	3.5	-179.9	0	0	0	0	0	115.1	D561 P583 I584	D561-G563 VanDerWaalsContact C-N 3.26Å; D561-G563 PolarHBondContact O-N 2.9Å; D561-G563 PolarHBondContact OD1-N 2.91Å; G563-P583 WeakPolarHBondContact O-CA 3.44Å; G563-I584 WeakPolarHBondContact O-CG1 3.22Å; G563-I584 PolarHBondContact O-N 2.86Å
564	F	95.4	Very high	88.2	Confident	71 Å²	71	41.2 Å²	41.2	31%	0.311	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	158.8	-178.5	-61.6	-77.1	0	0	0	113	Y461 T486 T562 V581 V582 R592	Y461-F564 AromaticContact CD1-CD2 4Å; Y461-F564 HydrophobicContact CD1-CD2 4Å; Y461-F564 AromaticContact CD1-CE2 3.91Å; Y461-F564 HydrophobicContact CD1-CE2 3.91Å; Y461-F564 HydrophobicContact CE1-CD2 4.05Å; Y461-F564 HydrophobicContact CE1-CE2 4.22Å; Y461-F564 HydrophobicContact CG-CD2 4.37Å; Y461-F564 HydrophobicContact CG-CE2 4.5Å; T486-F564 HydrophobicContact CG2-CB 3.59Å; T562-F564 VanDerWaalsContact C-N 3.32Å; T562-F564 WeakPolarHBondContact O-CD2 3.42Å; T562-F564 WeakPolarHBondContact O-CE2 3.29Å; T562-F564 PolarHBondContact O-N 2.99Å; F564-V581 HydrophobicContact CB-CG1 3.95Å; F564-V581 HydrophobicContact CD1-CG1 4.19Å; F564-V581 HydrophobicContact CG-CG1 4.29Å; F564-V582 WeakPolarHBondContact CA-O 3.41Å; F564-R592 PolarHBondContact O-NH1 2.97Å; F564-R592 VanDerWaalsContact O-NH1 3.16Å; F564-R592 PolarHBondContact O-NH2 2.86Å; F564-R592 VanDerWaalsContact O-NH2 3.16Å
565	C	93.3	Very high	87.8	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.3	169.3	69.6	0	0	0	0	110.9	V581 V582 I584	C565-V581 WeakPolarHBondContact O-CA 3.36Å; C565-V582 PolarHBondContact N-O 2.65Å; C565-V582 PolarHBondContact O-N 3.11Å; C565-V582 VanDerWaalsContact O-O 3.14Å; C565-I584 HydrophobicContact CB-CG2 3.89Å
566	K	90.3	Very high	87.2	Confident	53 Å²	53	37.2 Å²	37.2	23%	0.23	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.2	167.6	-77.4	-176.8	-173.8	-173.5	0	109.8	T486 L579 I580 V581	T486-K566 WeakPolarHBondContact O-CG 3.48Å; T486-K566 VanDerWaalsContact OG1-CE 3.24Å; T486-K566 WeakPolarHBondContact OG1-CE 3.42Å; K566-L579 HydrophobicContact CB-CD1 4.01Å; K566-L579 HydrophobicContact CB-CD2 4.17Å; K566-L579 HydrophobicContact CB-CG 3.92Å; K566-L579 HydrophobicContact CD-CD2 3.91Å; K566-L579 HydrophobicContact CD-CG 4.25Å; K566-L579 HydrophobicContact CG-CG 4.42Å; K566-I580 WeakPolarHBondContact CA-O 3.45Å; K566-V581 HydrophobicContact CD-CG2 4.42Å; K566-V581 HydrophobicContact CG-CG2 3.78Å
567	Q	88.3	Confident	86.7	Confident	36 Å²	36	40.8 Å²	40.8	17%	0.168	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144	175.9	-70.6	-173.4	2.2	0	0	111.4	F569 I580 V582	Q567-F569 HydrophobicContact CB-CD2 4.36Å; Q567-F569 HydrophobicContact CB-CE2 3.92Å; Q567-I580 PolarHBondContact N-O 3.07Å; Q567-I580 PolarHBondContact O-N 2.79Å; Q567-V582 HydrophobicContact CB-CG2 3.83Å; Q567-V582 VanDerWaalsContact CD-CG2 3.43Å; Q567-V582 HydrophobicContact CG-CG2 3.54Å
568	K	85.3	Confident	86.1	Confident	115 Å²	115	40.7 Å²	40.7	50%	0.5	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.5	173.2	-68.2	-175.2	179.8	-175.3	0	109.9	S578 L579 R627	K568-S578 WeakPolarHBondContact CA-O 3.47Å; K568-L579 HydrophobicContact CG-CD1 3.77Å; K568-R627 PolarHBondContact O-NH1 2.68Å
569	F	86.6	Confident	85.5	Confident	64 Å²	64	44.8 Å²	44.8	28%	0.281	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.9	171.6	-79.4	-94.7	0	0	0	109.4	Q567 S578 I580 V582 R627	Q567-F569 HydrophobicContact CB-CD2 4.36Å; Q567-F569 HydrophobicContact CB-CE2 3.92Å; F569-S578 PolarHBondContact N-O 3Å; F569-S578 PolarHBondContact O-N 2.75Å; F569-S578 PolarHBondContact O-OG 2.73Å; F569-I580 HydrophobicContact CD2-CD1 3.5Å; F569-I580 HydrophobicContact CD2-CG1 3.35Å; F569-I580 HydrophobicContact CE2-CD1 3.61Å; F569-I580 HydrophobicContact CE2-CG1 3.67Å; F569-I580 HydrophobicContact CG-CD1 4.11Å; F569-I580 HydrophobicContact CG-CG1 4.25Å; F569-I580 HydrophobicContact CZ-CD1 4.3Å; F569-V582 HydrophobicContact CE2-CG1 3.91Å; F569-V582 HydrophobicContact CZ-CG1 4.38Å; F569-R627 CarbonylContact C-O 3.58Å; F569-R627 HydrophobicContact CE1-CG 4.43Å
570	Y	83.7	Confident	85.1	Confident	40 Å²	40	48 Å²	48	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.8	174.1	177.7	-113.9	0	0	0	109.7	A572 E577 R627 N629	Y570-A572 HydrophobicContact CE1-CB 4.11Å; Y570-E577 HydrophobicContact CD2-CG 3.62Å; Y570-E577 HydrophobicContact CE2-CG 4.35Å; Y570-E577 HydrophobicContact CG-CG 4.48Å; Y570-R627 VanDerWaalsContact CB-O 3.31Å; Y570-R627 WeakPolarHBondContact CB-O 3.46Å; Y570-R627 PolarHBondContact N-O 3.17Å; Y570-N629 HydrophobicContact CD1-CB 4.02Å; Y570-N629 HydrophobicContact CD2-CB 4.04Å; Y570-N629 HydrophobicContact CE1-CB 4Å; Y570-N629 HydrophobicContact CE2-CB 4Å; Y570-N629 HydrophobicContact CG-CB 4.03Å
571	S	80.7	Confident	84.8	Confident	55 Å²	55	51.1 Å²	51.1	39%	0.385	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.6	169.4	178.3	0	0	0	0	108.9	R573 S574 G575 V576	S571-R573 PolarHBondContact O-N 2.94Å; S571-S574 VanDerWaalsContact CB-OG 3.29Å; S571-S574 WeakPolarHBondContact CB-OG 3.24Å; S571-S574 PolarHBondContact O-N 3.41Å; S571-S574 PolarHBondContact OG-OG 2.92Å; S571-G575 WeakPolarHBondContact O-CA 3.42Å; S571-G575 PolarHBondContact O-N 2.61Å; S571-V576 PolarHBondContact N-O 3.14Å; S571-V576 VanDerWaalsContact N-O 3.11Å
572	A	73.5	Confident	84.6	Confident	18 Å²	18	52.3 Å²	52.3	15%	0.149	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.3	179	0	0	0	0	0	111.8	Y570 A658 M661	Y570-A572 HydrophobicContact CE1-CB 4.11Å; A572-A658 HydrophobicContact CB-CB 4.37Å; A572-M661 HydrophobicContact CB-CB 4.42Å; A572-M661 HydrophobicContact CB-CG 4.09Å
573	R	73.1	Confident	84.5	Confident	198 Å²	198	55.6 Å²	55.6	75%	0.747	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-43.6	-178.2	-168.6	179.9	-62.4	-176.2	2	113.3	S571 Q834	S571-R573 PolarHBondContact O-N 2.94Å; R573-Q834 VanDerWaalsContact O-CD 3.25Å; R573-Q834 PolarHBondContact O-NE2 2.69Å; R573-Q834 PolarHBondContact O-OE1 3.4Å
574	S	71.2	Confident	84.5	Confident	29 Å²	29	55.7 Å²	55.7	20%	0.203	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.8	-180	62.3	0	0	0	0	113.1	S571 V576	S571-S574 VanDerWaalsContact CB-OG 3.29Å; S571-S574 WeakPolarHBondContact CB-OG 3.24Å; S571-S574 PolarHBondContact O-N 3.41Å; S571-S574 PolarHBondContact OG-OG 2.92Å; S574-V576 PolarHBondContact O-N 3.14Å; S574-V576 WeakPolarHBondContact OG-CB 3.15Å; S574-V576 WeakPolarHBondContact OG-CG2 3.1Å; S574-V576 PolarHBondContact OG-N 3.01Å
575	G	73	Confident	84.4	Confident	32 Å²	32	52.6 Å²	52.6	33%	0.33	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	13.6	-171.3	0	0	0	0	0	113.2	S571	S571-G575 WeakPolarHBondContact O-CA 3.42Å; S571-G575 PolarHBondContact O-N 2.61Å
576	V	74.9	Confident	84.3	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.4	-177.2	-179.7	0	0	0	0	109.7	S571 S574 L859	S571-V576 PolarHBondContact N-O 3.14Å; S571-V576 VanDerWaalsContact N-O 3.11Å; S574-V576 PolarHBondContact O-N 3.14Å; S574-V576 WeakPolarHBondContact OG-CB 3.15Å; S574-V576 WeakPolarHBondContact OG-CG2 3.1Å; S574-V576 PolarHBondContact OG-N 3.01Å; V576-L859 HydrophobicContact CG1-CB 4.42Å; V576-L859 HydrophobicContact CG2-CB 4.17Å; V576-L859 HydrophobicContact CG2-CD1 3.85Å
577	E	79.7	Confident	84.2	Confident	85 Å²	85	52.4 Å²	52.4	40%	0.397	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	166.8	-69.1	-177	-169	0	0	109	Y570	Y570-E577 HydrophobicContact CD2-CG 3.62Å; Y570-E577 HydrophobicContact CE2-CG 4.35Å; Y570-E577 HydrophobicContact CG-CG 4.48Å
578	S	81.1	Confident	84.3	Confident	28 Å²	28	51.2 Å²	51.2	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.5	177.8	61.8	0	0	0	0	109.9	K568 F569	K568-S578 WeakPolarHBondContact CA-O 3.47Å; F569-S578 PolarHBondContact N-O 3Å; F569-S578 PolarHBondContact O-N 2.75Å; F569-S578 PolarHBondContact O-OG 2.73Å
579	L	83.7	Confident	84.6	Confident	95 Å²	95	45.7 Å²	45.7	50%	0.497	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.3	173	-174.3	74.5	0	0	0	107.3	K566 K568	K566-L579 HydrophobicContact CB-CD1 4.01Å; K566-L579 HydrophobicContact CB-CD2 4.17Å; K566-L579 HydrophobicContact CB-CG 3.92Å; K566-L579 HydrophobicContact CD-CD2 3.91Å; K566-L579 HydrophobicContact CD-CG 4.25Å; K566-L579 HydrophobicContact CG-CG 4.42Å; K568-L579 HydrophobicContact CG-CD1 3.77Å
580	I	88.1	Confident	84.7	Confident	67 Å²	67	44.5 Å²	44.5	34%	0.344	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.4	-175.8	57.8	165.2	0	0	0	110.8	K566 Q567 F569 V582	K566-I580 WeakPolarHBondContact CA-O 3.45Å; Q567-I580 PolarHBondContact N-O 3.07Å; Q567-I580 PolarHBondContact O-N 2.79Å; F569-I580 HydrophobicContact CD2-CD1 3.5Å; F569-I580 HydrophobicContact CD2-CG1 3.35Å; F569-I580 HydrophobicContact CE2-CD1 3.61Å; F569-I580 HydrophobicContact CE2-CG1 3.67Å; F569-I580 HydrophobicContact CG-CD1 4.11Å; F569-I580 HydrophobicContact CG-CG1 4.25Å; F569-I580 HydrophobicContact CZ-CD1 4.3Å; I580-V582 HydrophobicContact CD1-CG1 3.86Å; I580-V582 HydrophobicContact CG1-CG1 3.97Å
581	V	91	Very high	84.9	Confident	66 Å²	66	43.1 Å²	43.1	40%	0.4	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.9	172.1	179.9	0	0	0	0	108.2	T486 F564 C565 K566	T486-V581 HydrophobicContact CG2-CG1 3.9Å; T486-V581 HydrophobicContact CG2-CG2 4.5Å; F564-V581 HydrophobicContact CB-CG1 3.95Å; F564-V581 HydrophobicContact CD1-CG1 4.19Å; F564-V581 HydrophobicContact CG-CG1 4.29Å; C565-V581 WeakPolarHBondContact O-CA 3.36Å; K566-V581 HydrophobicContact CD-CG2 4.42Å; K566-V581 HydrophobicContact CG-CG2 3.78Å
582	V	92.2	Very high	85.4	Confident	24 Å²	24	40.5 Å²	40.5	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.3	179.3	-64.2	0	0	0	0	110.3	F564 C565 Q567 F569 I580	F564-V582 WeakPolarHBondContact CA-O 3.41Å; C565-V582 PolarHBondContact N-O 2.65Å; C565-V582 PolarHBondContact O-N 3.11Å; C565-V582 VanDerWaalsContact O-O 3.14Å; Q567-V582 HydrophobicContact CB-CG2 3.83Å; Q567-V582 VanDerWaalsContact CD-CG2 3.43Å; Q567-V582 HydrophobicContact CG-CG2 3.54Å; F569-V582 HydrophobicContact CE2-CG1 3.91Å; F569-V582 HydrophobicContact CZ-CG1 4.38Å; I580-V582 HydrophobicContact CD1-CG1 3.86Å; I580-V582 HydrophobicContact CG1-CG1 3.97Å
583	P	94.6	Very high	86.2	Confident	70 Å²	70	39.6 Å²	39.6	46%	0.455	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	149.8	169.7	26.6	-34.4	0	0	0	110.8	G563 L617	G563-P583 WeakPolarHBondContact O-CA 3.44Å; P583-L617 HydrophobicContact CB-CD2 3.76Å
584	I	94.6	Very high	86.8	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-78.8	164.9	174.6	65.4	-176.7	0	0	0	111.6	D561 G563 C565 A588 A589 L617	D561-I584 WeakPolarHBondContact OD2-CD1 3.04Å; G563-I584 WeakPolarHBondContact O-CG1 3.22Å; G563-I584 PolarHBondContact O-N 2.86Å; C565-I584 HydrophobicContact CB-CG2 3.89Å; I584-A588 HydrophobicContact CB-CB 4.04Å; I584-A589 HydrophobicContact CD1-CB 3.68Å; I584-A589 HydrophobicContact CG1-CB 4.26Å; I584-L617 HydrophobicContact CG1-CD1 4.42Å; I584-L617 WeakPolarHBondContact O-CD2 3.36Å
585	S	93.1	Very high	87.5	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.042	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-80.5	164	169.3	63.2	0	0	0	0	111.9	A587 A588 A589 D618 Q620 P621	S585-A587 VanDerWaalsContact C-N 3.28Å; S585-A587 PolarHBondContact O-N 3.14Å; S585-A588 PolarHBondContact O-N 2.95Å; S585-A588 WeakPolarHBondContact OG-CB 3.49Å; S585-A588 PolarHBondContact OG-N 3.43Å; S585-A588 VanDerWaalsContact OG-N 3.16Å; S585-A589 PolarHBondContact O-N 3.15Å; S585-D618 CarbonylContact C-O 3.48Å; S585-D618 WeakPolarHBondContact CA-O 2.99Å; S585-D618 VanDerWaalsContact CB-O 3.22Å; S585-D618 WeakPolarHBondContact CB-O 3.44Å; S585-Q620 VanDerWaalsContact CB-C 3.49Å; S585-P621 WeakPolarHBondContact OG-CD 3.47Å
586	Q	92.2	Very high	88.2	Confident	46 Å²	46	27.7 Å²	27.7	22%	0.215	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-42.2	172	-63	179	22.4	0	0	111.2	A588 A589 D590 Y613 L617 D618	Q586-A588 PolarHBondContact O-N 2.85Å; Q586-A589 PolarHBondContact O-N 2.98Å; Q586-D590 WeakPolarHBondContact O-CB 3.46Å; Q586-D590 VanDerWaalsContact O-CG 3.24Å; Q586-D590 PolarHBondContact O-N 3.45Å; Q586-Y613 HydrophobicContact CB-CE2 4.07Å; Q586-Y613 HydrophobicContact CG-CE1 4.41Å; Q586-Y613 HydrophobicContact CG-CE2 4.09Å; Q586-Y613 PolarHBondContact NE2-O 3.36Å; Q586-L617 HydrophobicContact CG-CB 3.97Å; Q586-L617 PolarHBondContact NE2-O 3.15Å; Q586-D618 PolarHBondContact N-O 3.21Å
587	A	88.3	Confident	88.4	Confident	14 Å²	14	27.3 Å²	27.3	12%	0.116	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-43.4	175.1	0	0	0	0	0	112.8	T424 S585 D590 Q591 P619	T424-A587 HydrophobicContact CG2-CB 4.47Å; S585-A587 VanDerWaalsContact C-N 3.28Å; S585-A587 PolarHBondContact O-N 3.14Å; A587-D590 PolarHBondContact O-N 2.91Å; A587-Q591 WeakPolarHBondContact O-CG 3.34Å; A587-Q591 PolarHBondContact O-N 3.49Å; A587-P619 WeakPolarHBondContact CB-O 3.36Å; A587-P619 PolarHBondContact N-O 2.94Å
588	A	90.2	Very high	88.3	Confident	10 Å²	10	25 Å²	25	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176.8	0	0	0	0	0	111.7	E548 I584 S585 Q586 D590 Q591 R592	E548-A588 WeakPolarHBondContact OE1-CA 3.34Å; E548-A588 WeakPolarHBondContact OE1-CB 3.46Å; I584-A588 HydrophobicContact CB-CB 4.04Å; S585-A588 PolarHBondContact O-N 2.95Å; S585-A588 WeakPolarHBondContact OG-CB 3.49Å; S585-A588 PolarHBondContact OG-N 3.43Å; S585-A588 VanDerWaalsContact OG-N 3.16Å; Q586-A588 PolarHBondContact O-N 2.85Å; A588-D590 PolarHBondContact O-N 2.98Å; A588-Q591 WeakPolarHBondContact O-CB 3.44Å; A588-Q591 PolarHBondContact O-N 3.45Å; A588-Q591 VanDerWaalsContact O-N 3.14Å; A588-R592 VanDerWaalsContact O-CG 3.32Å; A588-R592 WeakPolarHBondContact O-CG 3.47Å; A588-R592 PolarHBondContact O-N 3.14Å
589	A	91.8	Very high	87.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-33.7	175.3	0	0	0	0	0	112.6	I584 S585 Q586 A593 R606 Y608 Y613	I584-A589 HydrophobicContact CD1-CB 3.68Å; I584-A589 HydrophobicContact CG1-CB 4.26Å; S585-A589 PolarHBondContact O-N 3.15Å; Q586-A589 PolarHBondContact O-N 2.98Å; A589-A593 WeakPolarHBondContact O-CB 3.22Å; A589-A593 PolarHBondContact O-N 3.32Å; A589-R606 PolarHBondContact O-NH2 3.19Å; A589-Y608 WeakPolarHBondContact CB-OH 3.42Å; A589-Y613 HydrophobicContact CB-CD2 4.41Å; A589-Y613 HydrophobicContact CB-CE2 3.93Å
590	D	89	Confident	87.8	Confident	38 Å²	38	25.3 Å²	25.3	20%	0.203	15%	0.148	C	C	.	.	H	α-helix	trans	-76.9	-34.3	178.4	-76.8	-5.4	0	0	0	113.2	R236 R445 Q586 A587 A588 G594 R606 Y613	R236-D590 IonicContact CZ-OD1 2.9Å; R236-D590 IonicContact CZ-OD2 3.61Å; R236-D590 VanDerWaalsContact NH1-CG 3.31Å; R236-D590 IonicContact NH1-OD1 3.11Å; R236-D590 IonicContact NH1-OD2 2.6Å; R236-D590 PolarHBondContact NH1-OD2 2.93Å; R236-D590 IonicContact NH2-OD1 3.43Å; R236-D590 PolarHBondContact NH2-OD1 3.18Å; R236-D590 IonicContact NH2-OD2 2.76Å; R236-D590 PolarHBondContact NH2-OD2 2.87Å; R445-D590 PolarHBondContact NH2-O 3.29Å; Q586-D590 WeakPolarHBondContact O-CB 3.46Å; Q586-D590 VanDerWaalsContact O-CG 3.24Å; Q586-D590 PolarHBondContact O-N 3.45Å; A587-D590 PolarHBondContact O-N 2.91Å; A588-D590 PolarHBondContact O-N 2.98Å; D590-G594 PolarHBondContact O-N 3.49Å; D590-R606 IonicContact OD1-CZ 3.25Å; D590-R606 IonicContact OD1-NH1 3.29Å; D590-R606 IonicContact OD1-NH2 2.71Å; D590-R606 PolarHBondContact OD1-NH2 3.08Å; D590-Y613 PolarHBondContact OD1-OH 3.34Å; D590-Y613 VanDerWaalsContact OD1-OH 3.1Å; D590-Y613 PolarHBondContact OD2-OH 3.46Å
591	Q	87	Confident	87.7	Confident	11 Å²	11	24.9 Å²	24.9	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-43.7	169.9	-72	-65.9	6.4	0	0	111.7	H393 T424 E548 A587 A588 G594 R595	H393-Q591 PolarHBondContact NE2-NE2 2.99Å; T424-Q591 HydrophobicContact CG2-CG 4.25Å; E548-Q591 HydrophobicContact CG-CB 3.98Å; A587-Q591 WeakPolarHBondContact O-CG 3.34Å; A587-Q591 PolarHBondContact O-N 3.49Å; A588-Q591 WeakPolarHBondContact O-CB 3.44Å; A588-Q591 PolarHBondContact O-N 3.45Å; A588-Q591 VanDerWaalsContact O-N 3.14Å; Q591-G594 CarbonylContact O-C 3.6Å; Q591-G594 WeakPolarHBondContact O-CA 3.15Å; Q591-G594 PolarHBondContact O-N 2.94Å; Q591-G594 VanDerWaalsContact O-N 3.07Å; Q591-R595 PolarHBondContact O-N 3.33Å
592	R	91.8	Very high	87.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-49.3	174.4	-69	178.9	-179.6	-162	-2.2	111	F484 E548 D561 F564 A588 G594 R595	F484-R592 HydrophobicContact CD1-CG 4.13Å; F484-R592 HydrophobicContact CD2-CB 3.85Å; F484-R592 HydrophobicContact CD2-CG 3.74Å; F484-R592 HydrophobicContact CE1-CG 3.99Å; F484-R592 HydrophobicContact CE2-CB 3.55Å; F484-R592 HydrophobicContact CE2-CG 3.59Å; F484-R592 HydrophobicContact CG-CG 4.01Å; F484-R592 HydrophobicContact CZ-CB 4.07Å; F484-R592 HydrophobicContact CZ-CG 3.72Å; E548-R592 HydrophobicContact CG-CG 3.91Å; E548-R592 IonicContact OE2-CZ 3.5Å; E548-R592 IonicContact OE2-NE 2.65Å; E548-R592 PolarHBondContact OE2-NE 3.06Å; E548-R592 VanDerWaalsContact OE2-NE 3.16Å; E548-R592 IonicContact OE2-NH2 2.78Å; D561-R592 VanDerWaalsContact CG-CD 3.47Å; D561-R592 WeakPolarHBondContact OD1-CD 3.44Å; D561-R592 IonicContact OD1-CZ 3.19Å; D561-R592 IonicContact OD1-NE 2.72Å; D561-R592 IonicContact OD1-NH1 2.96Å; D561-R592 PolarHBondContact OD1-NH1 2.86Å; D561-R592 VanDerWaalsContact OD2-CD 3.27Å; D561-R592 WeakPolarHBondContact OD2-CD 3.45Å; F564-R592 PolarHBondContact O-NH1 2.97Å; F564-R592 VanDerWaalsContact O-NH1 3.16Å; F564-R592 PolarHBondContact O-NH2 2.86Å; F564-R592 VanDerWaalsContact O-NH2 3.16Å; A588-R592 VanDerWaalsContact O-CG 3.32Å; A588-R592 WeakPolarHBondContact O-CG 3.47Å; A588-R592 PolarHBondContact O-N 3.14Å; R592-G594 PolarHBondContact O-N 3.35Å; R592-R595 VanDerWaalsContact O-CB 3.28Å; R592-R595 WeakPolarHBondContact O-CB 3.4Å; R592-R595 WeakPolarHBondContact O-CG 3.37Å; R592-R595 PolarHBondContact O-N 3.2Å; R592-R595 VanDerWaalsContact O-N 3.07Å
593	A	89.6	Confident	87.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-30.8	174.4	0	0	0	0	0	112.9	I451 A589 R595 A596 C604	I451-A593 HydrophobicContact CD1-CB 3.79Å; A589-A593 WeakPolarHBondContact O-CB 3.22Å; A589-A593 PolarHBondContact O-N 3.32Å; A593-R595 PolarHBondContact O-N 3.17Å; A593-A596 PolarHBondContact O-N 3.49Å; A593-C604 HydrophobicContact CB-CB 3.96Å
594	G	85.1	Confident	87.8	Confident	1 Å²	1	20 Å²	20	1%	0.01	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.6	175	0	0	0	0	0	115.5	T294 R445 D590 Q591 R592 A596	T294-G594 PolarHBondContact OG1-O 2.91Å; R445-G594 VanDerWaalsContact CZ-CA 3.47Å; D590-G594 PolarHBondContact O-N 3.49Å; Q591-G594 CarbonylContact O-C 3.6Å; Q591-G594 WeakPolarHBondContact O-CA 3.15Å; Q591-G594 PolarHBondContact O-N 2.94Å; Q591-G594 VanDerWaalsContact O-N 3.07Å; R592-G594 PolarHBondContact O-N 3.35Å; G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 CarbonylContact C-O 3.53Å
595	R	86.8	Confident	87.9	Confident	8 Å²	8	20.4 Å²	20.4	3%	0.03	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-24.5	172.4	-62	-72.2	149.3	-170.2	-15.2	112.6	T294 L482 F484 A547 E548 L551 V559 Q591 R592 A593 R598	T294-R595 VanDerWaalsContact CG2-NH2 3.35Å; L482-R595 HydrophobicContact CD2-CB 3.68Å; L482-R595 HydrophobicContact CD2-CG 3.85Å; F484-R595 HydrophobicContact CE2-CG 4.46Å; F484-R595 HydrophobicContact CZ-CG 4.1Å; A547-R595 WeakPolarHBondContact O-CD 3.3Å; A547-R595 PolarHBondContact O-NE 3.13Å; E548-R595 VanDerWaalsContact C-NE 3.35Å; E548-R595 PolarHBondContact O-NE 2.83Å; E548-R595 PolarHBondContact O-NH2 3.21Å; L551-R595 PolarHBondContact O-NH1 3.29Å; V559-R595 HydrophobicContact CG2-CB 4.05Å; Q591-R595 PolarHBondContact O-N 3.33Å; R592-R595 VanDerWaalsContact O-CB 3.28Å; R592-R595 WeakPolarHBondContact O-CB 3.4Å; R592-R595 WeakPolarHBondContact O-CG 3.37Å; R592-R595 PolarHBondContact O-N 3.2Å; R592-R595 VanDerWaalsContact O-N 3.07Å; A593-R595 PolarHBondContact O-N 3.17Å; R595-R598 VanDerWaalsContact CZ-NH2 3.34Å
596	A	86.5	Confident	88.1	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-91	168.5	166.8	0	0	0	0	0	111.2	V449 I557 V559 A593 G594	V449-A596 HydrophobicContact CG1-CB 4.4Å; V449-A596 HydrophobicContact CG2-CB 4.33Å; V449-A596 WeakPolarHBondContact CG2-O 3.47Å; I557-A596 WeakPolarHBondContact O-CB 3.38Å; V559-A596 HydrophobicContact CG2-CB 3.87Å; A593-A596 PolarHBondContact O-N 3.49Å; G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 CarbonylContact C-O 3.53Å
597	G	80.7	Confident	88.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	86.1	13.3	177.8	0	0	0	0	0	115	Y447 A600	Y447-G597 PolarHBondContact N-O 3.4Å; G597-A600 CarbonylContact C-O 3.57Å; G597-A600 WeakPolarHBondContact CA-O 3.29Å
598	R	76.3	Confident	88.5	Confident	38 Å²	38	18.7 Å²	18.7	14%	0.143	11%	0.11	C	C	.	.	S	Bend	trans	-87.4	-53.2	-178.7	-66.2	-177.1	178.4	174.8	1.8	113	T294 R446 R595	T294-R598 VanDerWaalsContact CB-NH2 3.33Å; T294-R598 PolarHBondContact OG1-NH2 2.93Å; R446-R598 WeakPolarHBondContact CB-O 3.33Å; R446-R598 WeakPolarHBondContact CD-O 3.49Å; R595-R598 VanDerWaalsContact CZ-NH2 3.34Å
599	V	73.7	Confident	88.7	Confident	94 Å²	94	19.2 Å²	19.2	57%	0.57	11%	0.112	S	C	*	.	S	Bend	trans	-98.8	-30.2	-177	-174.8	0	0	0	0	111.9	Y447	Y447-V599 VanDerWaalsContact CD2-C 3.49Å; Y447-V599 WeakPolarHBondContact CE2-O 3.31Å; Y447-V599 PolarHBondContact OH-O 2.71Å
600	A	80.8	Confident	88.7	Confident	35 Å²	35	20.8 Å²	20.8	29%	0.289	12%	0.123	S	C	.	.	S	Bend	trans	-151.9	171.2	178.4	0	0	0	0	0	109.8	Y447 I557 G597 G602	Y447-A600 VanDerWaalsContact CB-C 3.41Å; Y447-A600 WeakPolarHBondContact CB-O 3.46Å; Y447-A600 VanDerWaalsContact CG-C 3.46Å; I557-A600 HydrophobicContact CD1-CB 4.14Å; G597-A600 CarbonylContact C-O 3.57Å; G597-A600 WeakPolarHBondContact CA-O 3.29Å; A600-G602 PolarHBondContact O-N 2.89Å
601	A	86.7	Confident	88.8	Confident	58 Å²	58	24.9 Å²	24.9	48%	0.479	14%	0.141	S	C	.	.			trans	-57.1	132.9	174.1	0	0	0	0	0	111.1	P448 I557	P448-A601 HydrophobicContact CG-CB 4.12Å; P448-A601 WeakPolarHBondContact O-CA 3.45Å; I557-A601 WeakPolarHBondContact CG2-O 3.33Å
602	G	90.4	Very high	89.1	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	167.1	-171.8	0	0	0	0	0	114.2	P448 V449 D450 I557 A600	P448-G602 PolarHBondContact O-N 3.48Å; V449-G602 WeakPolarHBondContact CA-O 3.49Å; D450-G602 PolarHBondContact N-O 3.25Å; I557-G602 CarbonylContact O-C 3.6Å; I557-G602 WeakPolarHBondContact O-CA 3.37Å; A600-G602 PolarHBondContact O-N 2.89Å
603	K	94.2	Very high	89.1	Confident	53 Å²	53	25.6 Å²	25.6	23%	0.23	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.7	168.9	-56.5	-173.5	-178.4	177.6	0	109.9	D450 Y452 I557 Y558 V559 F605	D450-K603 HydrophobicContact CB-CG 4.27Å; D450-K603 CarbonylContact O-C 3.57Å; D450-K603 WeakPolarHBondContact O-CA 3.31Å; Y452-K603 HydrophobicContact CD2-CB 4.4Å; Y452-K603 HydrophobicContact CE2-CB 4.01Å; Y452-K603 HydrophobicContact CE2-CD 3.88Å; Y452-K603 HydrophobicContact CE2-CG 4.03Å; I557-K603 PolarHBondContact O-N 3.45Å; Y558-K603 CarbonylContact C-O 3.49Å; Y558-K603 WeakPolarHBondContact CA-O 3.49Å; Y558-K603 HydrophobicContact CD1-CB 4.11Å; Y558-K603 HydrophobicContact CE1-CB 4.45Å; Y558-K603 HydrophobicContact CE1-CD 4.16Å; Y558-K603 HydrophobicContact CE1-CG 4.37Å; V559-K603 PolarHBondContact N-O 3.26Å; K603-F605 HydrophobicContact CB-CE2 3.84Å; K603-F605 HydrophobicContact CB-CZ 4.2Å; K603-F605 HydrophobicContact CD-CZ 4.2Å
604	C	95.4	Very high	89.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125	173.2	-175.4	0	0	0	0	109.3	V449 D450 I451 Y452 V559 A593	V449-C604 HydrophobicContact CG1-CB 4.11Å; D450-C604 PolarHBondContact O-N 3.06Å; I451-C604 HydrophobicContact CD1-CB 3.74Å; Y452-C604 PolarHBondContact N-O 3.41Å; V559-C604 HydrophobicContact CB-CB 4.32Å; V559-C604 CarbonylContact O-C 3.51Å; V559-C604 WeakPolarHBondContact O-CA 3.25Å; A593-C604 HydrophobicContact CB-CB 3.96Å
605	F	96.4	Very high	89.5	Confident	14 Å²	14	35.3 Å²	35.3	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.2	178.5	-63.1	-85.8	0	0	0	108.9	F230 Y452 I472 Y558 V559 I560 D561 K603	F230-F605 HydrophobicContact CB-CD1 4.25Å; F230-F605 HydrophobicContact CB-CE1 4.44Å; F230-F605 HydrophobicContact CD1-CB 4.28Å; F230-F605 AromaticContact CD1-CD1 3.76Å; F230-F605 HydrophobicContact CD1-CD1 3.76Å; F230-F605 AromaticContact CD2-CD1 3.76Å; F230-F605 HydrophobicContact CD2-CD1 3.76Å; F230-F605 HydrophobicContact CD2-CE1 4.16Å; F230-F605 HydrophobicContact CE1-CB 3.78Å; F230-F605 AromaticContact CE1-CD1 3.99Å; F230-F605 HydrophobicContact CE1-CD1 3.99Å; F230-F605 HydrophobicContact CE1-CG 4.37Å; F230-F605 AromaticContact CE2-CD1 3.98Å; F230-F605 HydrophobicContact CE2-CD1 3.98Å; F230-F605 AromaticContact CG-CD1 3.64Å; F230-F605 HydrophobicContact CG-CD1 3.64Å; F230-F605 HydrophobicContact CG-CE1 4.19Å; F230-F605 HydrophobicContact CZ-CB 3.96Å; F230-F605 HydrophobicContact CZ-CD1 4.09Å; F230-F605 HydrophobicContact CZ-CG 4.4Å; Y452-F605 HydrophobicContact CD1-CE1 4.33Å; Y452-F605 HydrophobicContact CD2-CD1 4.16Å; Y452-F605 AromaticContact CD2-CE1 3.92Å; Y452-F605 HydrophobicContact CD2-CE1 3.92Å; Y452-F605 HydrophobicContact CD2-CZ 4.34Å; Y452-F605 HydrophobicContact CE2-CE1 4.45Å; Y452-F605 AromaticContact CG-CD1 3.99Å; Y452-F605 HydrophobicContact CG-CD1 3.99Å; Y452-F605 AromaticContact CG-CE1 3.89Å; Y452-F605 HydrophobicContact CG-CE1 3.89Å; I472-F605 HydrophobicContact CD1-CD2 3.48Å; I472-F605 VanDerWaalsContact CD1-CD2 3.48Å; I472-F605 HydrophobicContact CD1-CE2 3.46Å; I472-F605 VanDerWaalsContact CD1-CE2 3.46Å; I472-F605 HydrophobicContact CD1-CG 4.3Å; I472-F605 HydrophobicContact CD1-CZ 4.29Å; I472-F605 HydrophobicContact CG1-CD2 4.34Å; I472-F605 HydrophobicContact CG1-CE2 3.88Å; I472-F605 HydrophobicContact CG1-CZ 4.28Å; Y558-F605 HydrophobicContact CD1-CE2 4.12Å; V559-F605 PolarHBondContact O-N 3.4Å; I560-F605 CarbonylContact C-O 3.58Å; I560-F605 WeakPolarHBondContact CA-O 3.46Å; I560-F605 HydrophobicContact CG1-CB 4.36Å; D561-F605 PolarHBondContact N-O 2.84Å; K603-F605 HydrophobicContact CB-CE2 3.84Å; K603-F605 HydrophobicContact CB-CZ 4.2Å; K603-F605 HydrophobicContact CD-CZ 4.2Å
606	R	96.4	Very high	89.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.7	177.6	-69.7	174.6	168.5	179.1	-1.8	108.8	Y452 Y453 T454 D561 A589 D590 Y608 Y613	Y452-R606 WeakPolarHBondContact O-CB 3.39Å; Y452-R606 PolarHBondContact O-N 3.16Å; Y453-R606 HydrophobicContact CD1-CB 3.78Å; Y453-R606 HydrophobicContact CD1-CG 4.43Å; Y453-R606 HydrophobicContact CE1-CB 4.14Å; Y453-R606 HydrophobicContact CE1-CG 4.31Å; Y453-R606 HydrophobicContact CG-CB 4.47Å; Y453-R606 PolarHBondContact OH-NH1 2.94Å; T454-R606 PolarHBondContact N-O 2.95Å; T454-R606 VanDerWaalsContact N-O 3.13Å; D561-R606 HydrophobicContact CB-CG 4.29Å; D561-R606 WeakPolarHBondContact O-CA 3.36Å; A589-R606 PolarHBondContact O-NH2 3.19Å; D590-R606 IonicContact OD1-CZ 3.25Å; D590-R606 IonicContact OD1-NH1 3.29Å; D590-R606 IonicContact OD1-NH2 2.71Å; D590-R606 PolarHBondContact OD1-NH2 3.08Å; R606-Y608 HydrophobicContact CB-CD1 4.09Å; R606-Y608 HydrophobicContact CB-CD2 4.4Å; R606-Y608 HydrophobicContact CB-CE1 3.69Å; R606-Y608 HydrophobicContact CB-CE2 4.05Å; R606-Y608 HydrophobicContact CB-CG 4.43Å; R606-Y608 VanDerWaalsContact CD-OH 3.24Å; R606-Y608 WeakPolarHBondContact CD-OH 3.23Å; R606-Y608 HydrophobicContact CG-CE1 3.95Å; R606-Y608 HydrophobicContact CG-CE2 4.27Å; R606-Y608 PolarHBondContact NE-OH 3.34Å; R606-Y608 PolarHBondContact O-N 3.05Å; R606-Y613 VanDerWaalsContact NH1-CD2 3.31Å
607	L	95.4	Very high	90	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	23%	0.228	C	C	.	.	S	Bend	trans	-81.3	29.5	-179.7	-55.7	-177.1	0	0	0	113.1	F230 T454 A464 A465 I560 D561 T562	F230-L607 HydrophobicContact CE1-CD2 3.93Å; F230-L607 HydrophobicContact CZ-CD2 3.67Å; T454-L607 HydrophobicContact CG2-CD2 4.17Å; A464-L607 HydrophobicContact CB-CD1 4.16Å; A465-L607 HydrophobicContact CB-CD1 3.81Å; I560-L607 HydrophobicContact CG2-CD1 3.85Å; I560-L607 HydrophobicContact CG2-CD2 4.27Å; I560-L607 HydrophobicContact CG2-CG 3.98Å; D561-L607 PolarHBondContact O-N 3.38Å; T562-L607 HydrophobicContact CG2-CD1 3.99Å
608	Y	95	Very high	90.6	Very high	20 Å²	20	46.6 Å²	46.6	8%	0.078	25%	0.253	C	S	.	.	S	Bend	trans	-142.8	159.2	178.2	51.8	-89.4	0	0	0	108.1	Y453 T454 D561 A589 R606 Y613 L617	Y453-Y608 WeakPolarHBondContact CB-O 3.37Å; Y453-Y608 HydrophobicContact CD1-CD2 4.37Å; Y453-Y608 HydrophobicContact CD1-CE2 4.36Å; Y453-Y608 WeakPolarHBondContact CD1-O 3.48Å; Y453-Y608 HydrophobicContact CE1-CD2 4.46Å; Y453-Y608 HydrophobicContact CE1-CE2 4.07Å; T454-Y608 PolarHBondContact OG1-N 2.96Å; D561-Y608 HydrophobicContact CB-CE1 4.48Å; A589-Y608 WeakPolarHBondContact CB-OH 3.42Å; R606-Y608 HydrophobicContact CB-CD1 4.09Å; R606-Y608 HydrophobicContact CB-CD2 4.4Å; R606-Y608 HydrophobicContact CB-CE1 3.69Å; R606-Y608 HydrophobicContact CB-CE2 4.05Å; R606-Y608 HydrophobicContact CB-CG 4.43Å; R606-Y608 VanDerWaalsContact CD-OH 3.24Å; R606-Y608 WeakPolarHBondContact CD-OH 3.23Å; R606-Y608 HydrophobicContact CG-CE1 3.95Å; R606-Y608 HydrophobicContact CG-CE2 4.27Å; R606-Y608 PolarHBondContact NE-OH 3.34Å; R606-Y608 PolarHBondContact O-N 3.05Å; Y608-Y613 AromaticContact CE2-CD2 3.99Å; Y608-Y613 HydrophobicContact CE2-CD2 3.99Å; Y608-Y613 HydrophobicContact CE2-CG 4.46Å; Y608-L617 HydrophobicContact CE2-CD1 3.98Å
609	T	94	Very high	91.2	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.135	27%	0.272	C	S	.	.			trans	-75.2	155.8	-173.7	70.3	0	0	0	0	111.8	P457 H611 A612 Y613	P457-T609 HydrophobicContact CG-CG2 4.12Å; T609-H611 PolarHBondContact O-N 3.14Å; T609-A612 PolarHBondContact O-N 2.88Å; T609-A612 PolarHBondContact OG1-N 3.21Å; T609-A612 VanDerWaalsContact OG1-N 3.14Å; T609-Y613 PolarHBondContact O-N 3.31Å; T609-Y613 VanDerWaalsContact O-N 3.17Å
610	S	92.3	Very high	91.9	Very high	33 Å²	33	48 Å²	48	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-27.6	171.7	-177	0	0	0	0	112	H614	S610-H614 PolarHBondContact O-N 3.4Å; S610-H614 PolarHBondContact O-ND1 2.63Å
611	H	91.3	Very high	92.2	Very high	123 Å²	123	48.5 Å²	48.5	57%	0.569	26%	0.263	S	S	*	.	H	α-helix	trans	-67.2	-48.4	175.5	-179.4	64.1	0	0	0	111.2	T609 Y613 H614 T615	T609-H611 PolarHBondContact O-N 3.14Å; H611-Y613 VanDerWaalsContact C-N 3.26Å; H611-Y613 PolarHBondContact O-N 2.79Å; H611-H614 PolarHBondContact O-N 2.83Å; H611-H614 VanDerWaalsContact O-N 3.14Å; H611-T615 PolarHBondContact CE1-OG1 3.26Å; H611-T615 PolarHBondContact O-N 3.06Å; H611-T615 PolarHBondContact O-OG1 2.66Å
612	A	92	Very high	92.4	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-41.1	176.8	0	0	0	0	0	111.7	T609 H614 E616 L617	T609-A612 PolarHBondContact O-N 2.88Å; T609-A612 PolarHBondContact OG1-N 3.21Å; T609-A612 VanDerWaalsContact OG1-N 3.14Å; A612-H614 PolarHBondContact O-N 2.89Å; A612-E616 HydrophobicContact CB-CG 4.43Å; A612-E616 WeakPolarHBondContact O-CA 3.29Å; A612-E616 WeakPolarHBondContact O-CB 3.4Å; A612-E616 PolarHBondContact O-N 3.26Å; A612-L617 PolarHBondContact O-N 3.42Å
613	Y	92.9	Very high	92.4	Very high	17 Å²	17	49.9 Å²	49.9	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-56.7	-43.8	176.6	179.5	-95.4	0	0	0	113.9	Y453 Q586 A589 D590 R606 Y608 T609 H611 L617	Y453-Y613 HydrophobicContact CE1-CD2 4.46Å; Y453-Y613 HydrophobicContact CE1-CG 4.1Å; Q586-Y613 HydrophobicContact CB-CE2 4.07Å; Q586-Y613 HydrophobicContact CG-CE1 4.41Å; Q586-Y613 HydrophobicContact CG-CE2 4.09Å; Q586-Y613 PolarHBondContact NE2-O 3.36Å; A589-Y613 HydrophobicContact CB-CD2 4.41Å; A589-Y613 HydrophobicContact CB-CE2 3.93Å; D590-Y613 PolarHBondContact OD1-OH 3.34Å; D590-Y613 VanDerWaalsContact OD1-OH 3.1Å; D590-Y613 PolarHBondContact OD2-OH 3.46Å; R606-Y613 VanDerWaalsContact NH1-CD2 3.31Å; Y608-Y613 AromaticContact CE2-CD2 3.99Å; Y608-Y613 HydrophobicContact CE2-CD2 3.99Å; Y608-Y613 HydrophobicContact CE2-CG 4.46Å; T609-Y613 PolarHBondContact O-N 3.31Å; T609-Y613 VanDerWaalsContact O-N 3.17Å; H611-Y613 VanDerWaalsContact C-N 3.26Å; H611-Y613 PolarHBondContact O-N 2.79Å; Y613-L617 HydrophobicContact CD2-CD1 3.81Å
614	H	91.9	Very high	92.2	Very high	109 Å²	109	50 Å²	50	51%	0.505	26%	0.263	S	S	.	.	H	α-helix	trans	-89.2	-24.5	-173.7	-64.6	89.5	0	0	0	113.4	S610 H611 A612	S610-H614 PolarHBondContact O-N 3.4Å; S610-H614 PolarHBondContact O-ND1 2.63Å; H611-H614 PolarHBondContact O-N 2.83Å; H611-H614 VanDerWaalsContact O-N 3.14Å; A612-H614 PolarHBondContact O-N 2.89Å
615	T	90.4	Very high	92	Very high	96 Å²	96	50.1 Å²	50.1	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-111.7	-31.3	-171.7	-54.2	0	0	0	0	113.5	H611	H611-T615 PolarHBondContact CE1-OG1 3.26Å; H611-T615 PolarHBondContact O-N 3.06Å; H611-T615 PolarHBondContact O-OG1 2.66Å
616	E	90.9	Very high	91.8	Very high	130 Å²	130	53 Å²	53	61%	0.607	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-34.5	-174.5	-60.2	174.4	-162.8	0	0	113	A612	A612-E616 HydrophobicContact CB-CG 4.43Å; A612-E616 WeakPolarHBondContact O-CA 3.29Å; A612-E616 WeakPolarHBondContact O-CB 3.4Å; A612-E616 PolarHBondContact O-N 3.26Å
617	L	93	Very high	91.4	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	28%	0.283	C	S	.	.	S	Bend	trans	-80	129.3	-179.1	-53.7	-174	0	0	0	111.4	P583 I584 Q586 Y608 A612 Y613	P583-L617 HydrophobicContact CB-CD2 3.76Å; I584-L617 HydrophobicContact CG1-CD1 4.42Å; I584-L617 WeakPolarHBondContact O-CD2 3.36Å; Q586-L617 HydrophobicContact CG-CB 3.97Å; Q586-L617 PolarHBondContact NE2-O 3.15Å; Y608-L617 HydrophobicContact CE2-CD1 3.98Å; A612-L617 PolarHBondContact O-N 3.42Å; Y613-L617 HydrophobicContact CD2-CD1 3.81Å
618	D	92.8	Very high	91.1	Very high	101 Å²	101	55 Å²	55	54%	0.54	29%	0.286	S	S	.	.			trans	-61.2	144.8	172.9	-70.2	-43.9	0	0	0	111	S585 Q586 Q620	S585-D618 CarbonylContact C-O 3.48Å; S585-D618 WeakPolarHBondContact CA-O 2.99Å; S585-D618 VanDerWaalsContact CB-O 3.22Å; S585-D618 WeakPolarHBondContact CB-O 3.44Å; Q586-D618 PolarHBondContact N-O 3.21Å; D618-Q620 VanDerWaalsContact C-N 3.3Å; D618-Q620 PolarHBondContact O-N 2.78Å
619	P	90.2	Very high	90.6	Very high	84 Å²	84	55.7 Å²	55.7	55%	0.545	29%	0.291	S	S	.	.	S	Bend	trans	-59.2	-40	178.7	-25.8	34.5	0	0	0	113.5	A587	A587-P619 WeakPolarHBondContact CB-O 3.36Å; A587-P619 PolarHBondContact N-O 2.94Å
620	Q	87	Confident	90.4	Very high	77 Å²	77	54.8 Å²	54.8	36%	0.36	29%	0.286	S	S	.	.	S	Bend	trans	-134.3	150.6	-175.3	-67.2	-65.2	-5.1	0	0	110.7	S585 D618	S585-Q620 VanDerWaalsContact CB-C 3.49Å; D618-Q620 VanDerWaalsContact C-N 3.3Å; D618-Q620 PolarHBondContact O-N 2.78Å
621	P	87.8	Confident	90.2	Very high	47 Å²	47	53.3 Å²	53.3	31%	0.305	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72	145.9	175.3	31.8	-31.9	0	0	0	110.8	S585	S585-P621 WeakPolarHBondContact OG-CD 3.47Å
622	I	90.2	Very high	90	Very high	76 Å²	76	50 Å²	50	39%	0.39	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-66.9	126.9	173.1	-58.3	172.5	0	0	0	108.9	Q626 R627	I622-Q626 HydrophobicContact CG2-CB 4.22Å; I622-R627 HydrophobicContact CG2-CG 3.96Å; I622-R627 PolarHBondContact O-NE 2.87Å; I622-R627 PolarHBondContact O-NH2 2.73Å
623	P	90.5	Very high	89.8	Confident	14 Å²	14	49.8 Å²	49.8	9%	0.091	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-54.4	146.4	179.6	-27.2	35.5	0	0	0	113.2	R395 I625 Q626 D652	R395-P623 HydrophobicContact CB-CB 4.32Å; P623-I625 VanDerWaalsContact C-N 3.28Å; P623-I625 HydrophobicContact CB-CG2 4.05Å; P623-I625 PolarHBondContact O-N 3.15Å; P623-Q626 PolarHBondContact O-N 3.45Å; P623-D652 HydrophobicContact CG-CB 4.25Å
624	E	90.1	Very high	89.7	Confident	56 Å²	56	49 Å²	49	26%	0.262	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-65.3	-32.5	-176.4	-171.1	175.9	-161.6	0	0	112.4	R395 T396 L397 Q626 R627 T628	R395-E624 WeakPolarHBondContact O-CB 3.36Å; R395-E624 PolarHBondContact O-N 2.97Å; R395-E624 VanDerWaalsContact O-N 3.08Å; T396-E624 VanDerWaalsContact CA-OE2 3.23Å; T396-E624 WeakPolarHBondContact CA-OE2 3.28Å; T396-E624 WeakPolarHBondContact CB-OE2 3.49Å; L397-E624 HydrophobicContact CB-CB 4.45Å; L397-E624 HydrophobicContact CB-CG 4.16Å; L397-E624 PolarHBondContact N-OE2 3.2Å; E624-Q626 PolarHBondContact O-N 3.18Å; E624-R627 PolarHBondContact O-N 3.07Å; E624-T628 HydrophobicContact CG-CG2 3.38Å; E624-T628 PolarHBondContact O-N 2.88Å; E624-T628 VanDerWaalsContact O-N 3.14Å; E624-T628 PolarHBondContact O-OG1 2.9Å
625	I	91.2	Very high	89.7	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.4	-23.4	176.8	-166.1	167.3	0	0	0	113.7	L397 D400 I401 P623 L630 Y650 P654	L397-I625 HydrophobicContact CD1-CB 3.94Å; L397-I625 HydrophobicContact CD1-CD1 4.46Å; L397-I625 HydrophobicContact CD1-CG1 3.8Å; D400-I625 HydrophobicContact CB-CB 4.48Å; D400-I625 HydrophobicContact CB-CD1 4.37Å; D400-I625 WeakPolarHBondContact OD2-CG2 3.09Å; I401-I625 HydrophobicContact CD1-CD1 3.83Å; P623-I625 VanDerWaalsContact C-N 3.28Å; P623-I625 HydrophobicContact CB-CG2 4.05Å; P623-I625 PolarHBondContact O-N 3.15Å; I625-L630 HydrophobicContact CG1-CD2 4.03Å; I625-Y650 HydrophobicContact CD1-CD1 3.63Å; I625-Y650 HydrophobicContact CD1-CE1 3.89Å; I625-P654 HydrophobicContact CD1-CG 4.47Å; I625-P654 HydrophobicContact CG1-CB 4.08Å; I625-P654 HydrophobicContact CG1-CG 4.49Å
626	Q	92	Very high	89.6	Confident	76 Å²	76	40.3 Å²	40.3	36%	0.355	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-92.4	-6.4	177.8	-61.4	-174.8	-23	0	0	114	I622 P623 E624 P653 P655	I622-Q626 HydrophobicContact CG2-CB 4.22Å; P623-Q626 PolarHBondContact O-N 3.45Å; E624-Q626 PolarHBondContact O-N 3.18Å; Q626-P653 PolarHBondContact NE2-O 3.37Å; Q626-P653 VanDerWaalsContact NE2-O 3.09Å; Q626-P655 HydrophobicContact CB-CG 4.46Å
627	R	89.5	Confident	89.5	Confident	33 Å²	33	34.2 Å²	34.2	13%	0.125	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-6.2	-171.9	-64.7	-175.3	-70.5	102	-2	114.4	K568 F569 Y570 I622 E624	K568-R627 PolarHBondContact O-NH1 2.68Å; F569-R627 CarbonylContact C-O 3.58Å; F569-R627 HydrophobicContact CE1-CG 4.43Å; Y570-R627 VanDerWaalsContact CB-O 3.31Å; Y570-R627 WeakPolarHBondContact CB-O 3.46Å; Y570-R627 PolarHBondContact N-O 3.17Å; I622-R627 HydrophobicContact CG2-CG 3.96Å; I622-R627 PolarHBondContact O-NE 2.87Å; I622-R627 PolarHBondContact O-NH2 2.73Å; E624-R627 PolarHBondContact O-N 3.07Å
628	T	87.7	Confident	89.4	Confident	17 Å²	17	34.5 Å²	34.5	10%	0.104	18%	0.182	C	C	.	.	S	Bend	trans	-117.9	163.3	-175.4	56.5	0	0	0	0	113.8	E624 L630	E624-T628 HydrophobicContact CG-CG2 3.38Å; E624-T628 PolarHBondContact O-N 2.88Å; E624-T628 VanDerWaalsContact O-N 3.14Å; E624-T628 PolarHBondContact O-OG1 2.9Å; T628-L630 PolarHBondContact O-N 3.14Å
629	N	85.6	Confident	89.1	Confident	35 Å²	35	31.4 Å²	31.4	19%	0.187	17%	0.169	C	C	.	.			trans	-66.5	127.3	171.9	-173	-23.2	0	0	0	111	Y570 G631	Y570-N629 HydrophobicContact CD1-CB 4.02Å; Y570-N629 HydrophobicContact CD2-CB 4.04Å; Y570-N629 HydrophobicContact CE1-CB 4Å; Y570-N629 HydrophobicContact CE2-CB 4Å; Y570-N629 HydrophobicContact CG-CB 4.03Å; N629-G631 PolarHBondContact OD1-N 3.37Å
630	L	88.4	Confident	88.9	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.016	15%	0.154	C	C	.	.			trans	-93	-3.1	-176	-58.3	174	0	0	0	113.8	L397 I625 T628 N632 V633 V634 P654 A658 L659 A662	L397-L630 HydrophobicContact CD1-CD2 3.72Å; I625-L630 HydrophobicContact CG1-CD2 4.03Å; T628-L630 PolarHBondContact O-N 3.14Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.38Å; L630-V633 PolarHBondContact O-N 3.02Å; L630-V634 HydrophobicContact CB-CG2 4.12Å; L630-V634 WeakPolarHBondContact O-CG2 3.3Å; L630-V634 PolarHBondContact O-N 3.49Å; L630-P654 HydrophobicContact CD1-CB 3.37Å; L630-P654 HydrophobicContact CD1-CG 4.08Å; L630-A658 HydrophobicContact CD1-CB 3.93Å; L630-L659 HydrophobicContact CD1-CD2 3.81Å; L630-L659 HydrophobicContact CD1-CG 4.07Å; L630-A662 HydrophobicContact CB-CB 4.23Å
631	G	88.5	Confident	88.9	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-54.1	-43.2	-172	0	0	0	0	0	114.4	N629 L635	N629-G631 PolarHBondContact OD1-N 3.37Å; G631-L635 WeakPolarHBondContact O-CB 3.46Å; G631-L635 PolarHBondContact O-N 3Å
632	N	88.4	Confident	88.8	Confident	53 Å²	53	27.7 Å²	27.7	28%	0.283	16%	0.156	S	C	.	.	H	α-helix	trans	-69.3	-39.4	177	-172.2	35.4	0	0	0	112.4	L630 L635 L636	L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.38Å; N632-L635 PolarHBondContact O-N 3.36Å; N632-L636 WeakPolarHBondContact O-CB 3.19Å; N632-L636 PolarHBondContact O-N 2.84Å
633	V	87.2	Confident	88.5	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-42.9	179.5	165.5	0	0	0	0	111.5	L397 I401 L630 L635 L636 L637	L397-V633 HydrophobicContact CD1-CG2 3.98Å; L397-V633 HydrophobicContact CD2-CG2 3.54Å; L397-V633 HydrophobicContact CG-CG2 3.69Å; I401-V633 HydrophobicContact CD1-CG1 3.53Å; I401-V633 HydrophobicContact CG1-CG1 3.57Å; I401-V633 HydrophobicContact CG1-CG2 4.44Å; L630-V633 PolarHBondContact O-N 3.02Å; V633-L635 VanDerWaalsContact C-N 3.3Å; V633-L635 PolarHBondContact O-N 3.16Å; V633-L636 WeakPolarHBondContact O-CB 3.04Å; V633-L636 PolarHBondContact O-N 3.25Å; V633-L637 HydrophobicContact CG1-CD1 3.89Å; V633-L637 HydrophobicContact CG1-CG 4.23Å; V633-L637 WeakPolarHBondContact O-CB 3.39Å; V633-L637 WeakPolarHBondContact O-CG 3.22Å; V633-L637 PolarHBondContact O-N 3.03Å
634	V	90.8	Very high	88.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-43.4	176.3	169.7	0	0	0	0	110.5	L630 L636 L637 K638 L645 L659 A662 L663 L666	L630-V634 HydrophobicContact CB-CG2 4.12Å; L630-V634 WeakPolarHBondContact O-CG2 3.3Å; L630-V634 PolarHBondContact O-N 3.49Å; V634-L636 VanDerWaalsContact C-N 3.34Å; V634-L636 PolarHBondContact O-N 3.21Å; V634-L637 PolarHBondContact O-N 2.94Å; V634-K638 WeakPolarHBondContact O-CB 3.16Å; V634-K638 WeakPolarHBondContact O-CG 3.3Å; V634-K638 PolarHBondContact O-N 3.42Å; V634-L645 HydrophobicContact CB-CD1 4.47Å; V634-L645 HydrophobicContact CG1-CD1 3.6Å; V634-L645 HydrophobicContact CG2-CD1 4.34Å; V634-L659 HydrophobicContact CG2-CD2 3.95Å; V634-A662 HydrophobicContact CG2-CB 4Å; V634-L663 HydrophobicContact CG1-CD2 3.79Å; V634-L663 HydrophobicContact CG1-CG 4.38Å; V634-L666 HydrophobicContact CB-CD1 3.91Å; V634-L666 HydrophobicContact CG1-CD1 3.48Å; V634-L666 VanDerWaalsContact CG1-CD1 3.48Å
635	L	91.5	Very high	88.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-44.7	175.5	-177.7	62	0	0	0	111.6	G631 N632 V633 K638 S639 L666 A671 L678 M685 A686 P692	G631-L635 WeakPolarHBondContact O-CB 3.46Å; G631-L635 PolarHBondContact O-N 3Å; N632-L635 PolarHBondContact O-N 3.36Å; V633-L635 VanDerWaalsContact C-N 3.3Å; V633-L635 PolarHBondContact O-N 3.16Å; L635-K638 PolarHBondContact O-N 3.4Å; L635-S639 WeakPolarHBondContact O-CB 3.48Å; L635-S639 PolarHBondContact O-N 2.93Å; L635-S639 PolarHBondContact O-OG 3.01Å; L635-L666 HydrophobicContact CB-CD1 4.18Å; L635-L666 HydrophobicContact CB-CD2 4.08Å; L635-L666 HydrophobicContact CD1-CD2 4.3Å; L635-L666 HydrophobicContact CD2-CD2 4.45Å; L635-A671 HydrophobicContact CD1-CB 4.21Å; L635-L678 HydrophobicContact CD1-CD1 3.58Å; L635-M685 HydrophobicContact CD2-CB 3.89Å; L635-M685 HydrophobicContact CD2-CE 4.37Å; L635-A686 HydrophobicContact CD2-CB 4.47Å; L635-A686 HydrophobicContact CG-CB 4.19Å; L635-P692 HydrophobicContact CD2-CB 4.47Å; L635-P692 HydrophobicContact CD2-CG 4.15Å
636	L	87.8	Confident	88	Confident	22 Å²	22	34.5 Å²	34.5	12%	0.115	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-51.3	177.5	-178.9	71.5	0	0	0	111.7	L372 L376 N632 V633 V634 K638 S639 L640	L372-L636 HydrophobicContact CB-CD2 3.9Å; L372-L636 HydrophobicContact CD1-CD2 4.12Å; L372-L636 HydrophobicContact CD2-CD2 4.13Å; L372-L636 HydrophobicContact CG-CD2 4.29Å; L376-L636 HydrophobicContact CD1-CD1 3.84Å; L376-L636 HydrophobicContact CD2-CD1 3.89Å; L376-L636 HydrophobicContact CG-CD1 3.94Å; N632-L636 WeakPolarHBondContact O-CB 3.19Å; N632-L636 PolarHBondContact O-N 2.84Å; V633-L636 WeakPolarHBondContact O-CB 3.04Å; V633-L636 PolarHBondContact O-N 3.25Å; V634-L636 VanDerWaalsContact C-N 3.34Å; V634-L636 PolarHBondContact O-N 3.21Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.86Å; L636-S639 WeakPolarHBondContact CA-OG 3.31Å; L636-S639 PolarHBondContact O-N 3.14Å; L636-S639 PolarHBondContact O-OG 3.27Å; L636-L640 HydrophobicContact CG-CD1 4.35Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 2.96Å
637	L	89.5	Confident	87.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-45	178.6	-72.8	173.8	0	0	0	111.7	I401 V633 V634 S639 L640 G641 I642 L645 F648	I401-L637 HydrophobicContact CD1-CD1 4.21Å; I401-L637 HydrophobicContact CG2-CD2 3.78Å; I401-L637 HydrophobicContact CG2-CG 4.41Å; V633-L637 HydrophobicContact CG1-CD1 3.89Å; V633-L637 HydrophobicContact CG1-CG 4.23Å; V633-L637 WeakPolarHBondContact O-CB 3.39Å; V633-L637 WeakPolarHBondContact O-CG 3.22Å; V633-L637 PolarHBondContact O-N 3.03Å; V634-L637 PolarHBondContact O-N 2.94Å; L637-S639 VanDerWaalsContact C-N 3.31Å; L637-S639 PolarHBondContact O-N 2.83Å; L637-L640 WeakPolarHBondContact O-CB 3.39Å; L637-L640 PolarHBondContact O-N 3.32Å; L637-L640 VanDerWaalsContact O-N 3.16Å; L637-G641 PolarHBondContact O-N 3.15Å; L637-I642 HydrophobicContact CB-CB 4.38Å; L637-I642 HydrophobicContact CD2-CD1 3.68Å; L637-I642 WeakPolarHBondContact O-CB 3.27Å; L637-I642 PolarHBondContact O-N 2.88Å; L637-L645 HydrophobicContact CB-CD2 3.68Å; L637-L645 HydrophobicContact CD1-CD2 3.81Å; L637-L645 HydrophobicContact CG-CD2 4.41Å; L637-F648 HydrophobicContact CD2-CE2 4.41Å; L637-F648 HydrophobicContact CD2-CZ 4.3Å
638	K	90.4	Very high	87.8	Confident	20 Å²	20	37.6 Å²	37.6	9%	0.087	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-38	175	-76.5	-71	-175.1	172.8	0	112.5	V634 L635 L636 L640 G641 D643 L645 L672 G676 L678	V634-K638 WeakPolarHBondContact O-CB 3.16Å; V634-K638 WeakPolarHBondContact O-CG 3.3Å; V634-K638 PolarHBondContact O-N 3.42Å; L635-K638 PolarHBondContact O-N 3.4Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.86Å; K638-L640 VanDerWaalsContact C-N 3.29Å; K638-L640 PolarHBondContact O-N 3.16Å; K638-G641 PolarHBondContact O-N 2.81Å; K638-G641 VanDerWaalsContact O-N 3.08Å; K638-D643 WeakPolarHBondContact CD-OD1 3.41Å; K638-D643 VanDerWaalsContact NZ-CA 3.32Å; K638-D643 PolarHBondContact NZ-O 3.45Å; K638-D643 IonicContact NZ-OD1 3.57Å; K638-D643 PolarHBondContact NZ-OD1 3.41Å; K638-L645 HydrophobicContact CG-CD1 4.48Å; K638-L672 HydrophobicContact CG-CD2 4.37Å; K638-G676 VanDerWaalsContact CE-O 3.32Å; K638-G676 WeakPolarHBondContact CE-O 3.5Å; K638-G676 PolarHBondContact NZ-O 3.07Å; K638-L678 HydrophobicContact CB-CD1 4.36Å
639	S	87	Confident	87.9	Confident	36 Å²	36	39.3 Å²	39.3	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-26.8	176	69.7	0	0	0	0	113.6	L376 L635 L636 L637 G641	L376-S639 WeakPolarHBondContact CD2-OG 3.32Å; L635-S639 WeakPolarHBondContact O-CB 3.48Å; L635-S639 PolarHBondContact O-N 2.93Å; L635-S639 PolarHBondContact O-OG 3.01Å; L636-S639 WeakPolarHBondContact CA-OG 3.31Å; L636-S639 PolarHBondContact O-N 3.14Å; L636-S639 PolarHBondContact O-OG 3.27Å; L637-S639 VanDerWaalsContact C-N 3.31Å; L637-S639 PolarHBondContact O-N 2.83Å; S639-G641 PolarHBondContact O-N 2.87Å
640	L	86.4	Confident	88.2	Confident	46 Å²	46	38.8 Å²	38.8	24%	0.241	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.9	170.7	-65.7	171.3	0	0	0	113.2	F375 L376 L405 L636 L637 K638	F375-L640 HydrophobicContact CB-CD1 4.32Å; F375-L640 HydrophobicContact CB-CD2 3.72Å; F375-L640 WeakPolarHBondContact O-CD2 3.23Å; L376-L640 HydrophobicContact CD2-CD2 3.76Å; L376-L640 HydrophobicContact CD2-CG 4.15Å; L376-L640 HydrophobicContact CG-CD2 4.39Å; L405-L640 HydrophobicContact CD1-CD1 3.76Å; L405-L640 HydrophobicContact CD2-CD1 4.03Å; L636-L640 HydrophobicContact CG-CD1 4.35Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 2.96Å; L637-L640 WeakPolarHBondContact O-CB 3.39Å; L637-L640 PolarHBondContact O-N 3.32Å; L637-L640 VanDerWaalsContact O-N 3.16Å; K638-L640 VanDerWaalsContact C-N 3.29Å; K638-L640 PolarHBondContact O-N 3.16Å
641	G	85.4	Confident	88.3	Confident	53 Å²	53	39.5 Å²	39.5	55%	0.546	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	13	-179.5	0	0	0	0	0	114.5	L637 K638 S639 D643	L637-G641 PolarHBondContact O-N 3.15Å; K638-G641 PolarHBondContact O-N 2.81Å; K638-G641 VanDerWaalsContact O-N 3.08Å; S639-G641 PolarHBondContact O-N 2.87Å; G641-D643 PolarHBondContact O-N 3.14Å
642	I	86.8	Confident	88.4	Confident	32 Å²	32	40.9 Å²	40.9	16%	0.164	22%	0.224	C	C	.	.			trans	-85.5	98.6	175.4	-61.6	163.4	0	0	0	108.2	L405 L637 L645 F648	L405-I642 HydrophobicContact CD2-CD1 3.43Å; L405-I642 VanDerWaalsContact CD2-CD1 3.43Å; L637-I642 HydrophobicContact CB-CB 4.38Å; L637-I642 HydrophobicContact CD2-CD1 3.68Å; L637-I642 WeakPolarHBondContact O-CB 3.27Å; L637-I642 PolarHBondContact O-N 2.88Å; I642-L645 HydrophobicContact CG2-CD2 4.35Å; I642-F648 HydrophobicContact CD1-CD2 3.93Å; I642-F648 HydrophobicContact CD1-CE2 3.6Å; I642-F648 HydrophobicContact CG2-CB 4.39Å; I642-F648 HydrophobicContact CG2-CD2 3.8Å; I642-F648 HydrophobicContact CG2-CG 4.41Å
643	D	84.1	Confident	88.5	Confident	93 Å²	93	42.1 Å²	42.1	50%	0.497	24%	0.235	S	C	.	.			trans	-85.5	-36.3	-177.8	-81.7	-42.7	0	0	0	114	K638 G641 L645	K638-D643 WeakPolarHBondContact CD-OD1 3.41Å; K638-D643 VanDerWaalsContact NZ-CA 3.32Å; K638-D643 PolarHBondContact NZ-O 3.45Å; K638-D643 IonicContact NZ-OD1 3.57Å; K638-D643 PolarHBondContact NZ-OD1 3.41Å; G641-D643 PolarHBondContact O-N 3.14Å; D643-L645 PolarHBondContact O-N 3.42Å
644	D	87	Confident	88.7	Confident	82 Å²	82	42.2 Å²	42.2	44%	0.439	24%	0.236	S	C	.	.			trans	-88.3	89.5	176.7	-169	-11.9	0	0	0	110.2	L646 H647 F648	D644-L646 VanDerWaalsContact C-N 3.26Å; D644-L646 PolarHBondContact O-N 3.33Å; D644-L646 PolarHBondContact OD1-N 3.15Å; D644-L646 VanDerWaalsContact OD1-N 3.1Å; D644-H647 VanDerWaalsContact CG-ND1 3.32Å; D644-H647 IonicContact OD1-CG 2.86Å; D644-H647 PolarHBondContact OD1-N 3.01Å; D644-H647 IonicContact OD1-ND1 3.4Å; D644-H647 PolarHBondContact OD1-ND1 3.26Å; D644-H647 VanDerWaalsContact OD1-ND1 3.15Å; D644-H647 IonicContact OD2-CE1 2.76Å; D644-H647 IonicContact OD2-CG 3.53Å; D644-H647 IonicContact OD2-ND1 3.35Å; D644-H647 PolarHBondContact OD2-ND1 3.02Å; D644-F648 PolarHBondContact O-N 3.22Å
645	L	88.7	Confident	88.7	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.058	25%	0.252	C	S	.	.	S	Bend	trans	-77.5	-13.1	179.5	-57.4	170.9	0	0	0	112.9	V634 L637 K638 I642 D643 Y650 L663	V634-L645 HydrophobicContact CB-CD1 4.47Å; V634-L645 HydrophobicContact CG1-CD1 3.6Å; V634-L645 HydrophobicContact CG2-CD1 4.34Å; L637-L645 HydrophobicContact CB-CD2 3.68Å; L637-L645 HydrophobicContact CD1-CD2 3.81Å; L637-L645 HydrophobicContact CG-CD2 4.41Å; K638-L645 HydrophobicContact CG-CD1 4.48Å; I642-L645 HydrophobicContact CG2-CD2 4.35Å; D643-L645 PolarHBondContact O-N 3.42Å; L645-Y650 WeakPolarHBondContact O-CE2 3.37Å; L645-Y650 PolarHBondContact O-OH 3.32Å; L645-L663 HydrophobicContact CD1-CD2 3.92Å; L645-L663 HydrophobicContact CD1-CG 4.48Å
646	L	86.3	Confident	88.6	Confident	104 Å²	104	50.8 Å²	50.8	55%	0.545	28%	0.28	S	S	.	.	S	Bend	trans	-85.5	-40	-178.7	-72.8	169.1	0	0	0	111.1	D644 L659	D644-L646 VanDerWaalsContact C-N 3.26Å; D644-L646 PolarHBondContact O-N 3.33Å; D644-L646 PolarHBondContact OD1-N 3.15Å; D644-L646 VanDerWaalsContact OD1-N 3.1Å; L646-L659 HydrophobicContact CD2-CD1 4.07Å
647	H	86.1	Confident	88.6	Confident	156 Å²	156	54.9 Å²	54.9	72%	0.722	30%	0.302	S	S	*	.	S	Bend	trans	-99.4	10.4	179.2	-54.3	94.6	0	0	0	113.5	D644	D644-H647 VanDerWaalsContact CG-ND1 3.32Å; D644-H647 IonicContact OD1-CG 2.86Å; D644-H647 PolarHBondContact OD1-N 3.01Å; D644-H647 IonicContact OD1-ND1 3.4Å; D644-H647 PolarHBondContact OD1-ND1 3.26Å; D644-H647 VanDerWaalsContact OD1-ND1 3.15Å; D644-H647 IonicContact OD2-CE1 2.76Å; D644-H647 IonicContact OD2-CG 3.53Å; D644-H647 IonicContact OD2-ND1 3.35Å; D644-H647 PolarHBondContact OD2-ND1 3.02Å
648	F	91.1	Very high	88.5	Confident	18 Å²	18	55.4 Å²	55.4	8%	0.079	31%	0.306	C	S	.	.	S	Bend	trans	-58.2	142.6	167	179.5	-98.4	0	0	0	109.8	L405 L637 I642 D644 Y650	L405-F648 HydrophobicContact CD2-CE2 4.17Å; L405-F648 HydrophobicContact CD2-CZ 4.28Å; L405-F648 HydrophobicContact CG-CZ 4.23Å; L637-F648 HydrophobicContact CD2-CE2 4.41Å; L637-F648 HydrophobicContact CD2-CZ 4.3Å; I642-F648 HydrophobicContact CD1-CD2 3.93Å; I642-F648 HydrophobicContact CD1-CE2 3.6Å; I642-F648 HydrophobicContact CG2-CB 4.39Å; I642-F648 HydrophobicContact CG2-CD2 3.8Å; I642-F648 HydrophobicContact CG2-CG 4.41Å; D644-F648 PolarHBondContact O-N 3.22Å; F648-Y650 HydrophobicContact CB-CD2 4.27Å; F648-Y650 HydrophobicContact CB-CE2 3.68Å; F648-Y650 AromaticContact CD1-CD1 3.58Å; F648-Y650 HydrophobicContact CD1-CD1 3.58Å; F648-Y650 HydrophobicContact CD1-CD2 4.03Å; F648-Y650 AromaticContact CD1-CE1 3.38Å; F648-Y650 HydrophobicContact CD1-CE1 3.38Å; F648-Y650 AromaticContact CD1-CE2 3.86Å; F648-Y650 HydrophobicContact CD1-CE2 3.86Å; F648-Y650 AromaticContact CD1-CG 3.89Å; F648-Y650 HydrophobicContact CD1-CG 3.89Å; F648-Y650 AromaticContact CD1-CZ 3.52Å; F648-Y650 AromaticContact CE1-CD1 4Å; F648-Y650 HydrophobicContact CE1-CD1 4Å; F648-Y650 AromaticContact CE1-CE1 3.95Å; F648-Y650 HydrophobicContact CE1-CE1 3.95Å; F648-Y650 HydrophobicContact CG-CE1 4.36Å; F648-Y650 HydrophobicContact CG-CE2 4.27Å; F648-Y650 WeakPolarHBondContact O-CD2 3.47Å; F648-Y650 PolarHBondContact O-N 3.01Å
649	D	89.3	Confident	88.4	Confident	53 Å²	53	54.9 Å²	54.9	28%	0.283	31%	0.305	S	S	.	.			trans	-76.5	71.8	-172.5	-159.3	5.8	0	0	0	110.6	K407 F433	K407-D649 WeakPolarHBondContact CD-OD2 3.4Å; K407-D649 WeakPolarHBondContact CE-OD2 3.29Å; K407-D649 IonicContact NZ-OD1 2.75Å; K407-D649 IonicContact NZ-OD2 3.01Å; K407-D649 PolarHBondContact NZ-OD2 3.5Å; F433-D649 WeakPolarHBondContact CE2-O 3.47Å; F433-D649 WeakPolarHBondContact CE2-OD1 3.47Å; F433-D649 WeakPolarHBondContact CZ-O 3.41Å
650	Y	91.4	Very high	88.5	Confident	23 Å²	23	57.3 Å²	57.3	9%	0.09	31%	0.314	C	S	.	.			trans	-78.1	142.4	172.3	-54.5	-81.5	0	0	0	110.2	I401 I625 L645 F648 P653 P654	I401-Y650 HydrophobicContact CD1-CD1 4.12Å; I401-Y650 HydrophobicContact CD1-CE1 3.66Å; I625-Y650 HydrophobicContact CD1-CD1 3.63Å; I625-Y650 HydrophobicContact CD1-CE1 3.89Å; L645-Y650 WeakPolarHBondContact O-CE2 3.37Å; L645-Y650 PolarHBondContact O-OH 3.32Å; F648-Y650 HydrophobicContact CB-CD2 4.27Å; F648-Y650 HydrophobicContact CB-CE2 3.68Å; F648-Y650 AromaticContact CD1-CD1 3.58Å; F648-Y650 HydrophobicContact CD1-CD1 3.58Å; F648-Y650 HydrophobicContact CD1-CD2 4.03Å; F648-Y650 AromaticContact CD1-CE1 3.38Å; F648-Y650 HydrophobicContact CD1-CE1 3.38Å; F648-Y650 AromaticContact CD1-CE2 3.86Å; F648-Y650 HydrophobicContact CD1-CE2 3.86Å; F648-Y650 AromaticContact CD1-CG 3.89Å; F648-Y650 HydrophobicContact CD1-CG 3.89Å; F648-Y650 AromaticContact CD1-CZ 3.52Å; F648-Y650 AromaticContact CE1-CD1 4Å; F648-Y650 HydrophobicContact CE1-CD1 4Å; F648-Y650 AromaticContact CE1-CE1 3.95Å; F648-Y650 HydrophobicContact CE1-CE1 3.95Å; F648-Y650 HydrophobicContact CG-CE1 4.36Å; F648-Y650 HydrophobicContact CG-CE2 4.27Å; F648-Y650 WeakPolarHBondContact O-CD2 3.47Å; F648-Y650 PolarHBondContact O-N 3.01Å; Y650-P653 HydrophobicContact CD2-CB 4.32Å; Y650-P654 HydrophobicContact CE1-CG 4.43Å; Y650-P654 HydrophobicContact CE2-CG 4.39Å
651	M	89.8	Confident	88.6	Confident	19 Å²	19	56.9 Å²	56.9	9%	0.094	31%	0.311	C	S	.	.	S	Bend	trans	-65.7	-45.4	169.1	-173.2	174.9	-72.2	0	0	112.1	F403 F430 F433 F434	F403-M651 HydrophobicContact CD2-CE 3.71Å; F403-M651 HydrophobicContact CD2-SD 4.29Å; F403-M651 HydrophobicContact CE2-CE 3.93Å; F403-M651 HydrophobicContact CE2-SD 4.22Å; F403-M651 HydrophobicContact CG-CE 4.33Å; F430-M651 HydrophobicContact CD1-CE 3.34Å; F430-M651 HydrophobicContact CD1-SD 3.96Å; F430-M651 HydrophobicContact CE1-CE 3.63Å; F430-M651 HydrophobicContact CE1-SD 3.75Å; F430-M651 HydrophobicContact CG-CE 4.37Å; F433-M651 HydrophobicContact CB-CE 3.72Å; F433-M651 HydrophobicContact CB-CG 4.42Å; F433-M651 HydrophobicContact CD1-CE 3.63Å; F433-M651 HydrophobicContact CD2-CB 3.93Å; F433-M651 HydrophobicContact CD2-CE 4.41Å; F433-M651 HydrophobicContact CD2-CG 4.22Å; F433-M651 HydrophobicContact CE1-CE 4.41Å; F433-M651 HydrophobicContact CE2-CB 4.12Å; F433-M651 HydrophobicContact CG-CB 4.27Å; F433-M651 HydrophobicContact CG-CE 3.62Å; F433-M651 HydrophobicContact CG-CG 4.27Å; F434-M651 HydrophobicContact CE2-CE 4.43Å
652	D	90.9	Very high	88.8	Confident	30 Å²	30	54.5 Å²	54.5	16%	0.16	29%	0.286	C	S	.	.	S	Bend	trans	-130.3	118.1	168	-67.1	-69.4	0	0	0	107.3	R395 K429 P623	R395-D652 IonicContact CZ-OD2 3.33Å; R395-D652 VanDerWaalsContact CZ-OD2 3.22Å; R395-D652 IonicContact NH1-OD2 3.1Å; R395-D652 PolarHBondContact NH1-OD2 2.88Å; R395-D652 IonicContact NH2-OD2 2.76Å; R395-D652 PolarHBondContact NH2-OD2 3.04Å; K429-D652 WeakPolarHBondContact CE-OD2 3.38Å; K429-D652 IonicContact NZ-OD1 3.22Å; K429-D652 PolarHBondContact NZ-OD1 3Å; K429-D652 IonicContact NZ-OD2 3.72Å; K429-D652 PolarHBondContact NZ-OD2 3.06Å; P623-D652 HydrophobicContact CG-CB 4.25Å
653	P	91.5	Very high	89	Confident	79 Å²	79	55.6 Å²	55.6	51%	0.513	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.7	147.6	-175.1	26.5	-33.6	0	0	0	111.4	Q626 Y650	Q626-P653 PolarHBondContact NE2-O 3.37Å; Q626-P653 VanDerWaalsContact NE2-O 3.09Å; Y650-P653 HydrophobicContact CD2-CB 4.32Å
654	P	92	Very high	89.2	Confident	7 Å²	7	56 Å²	56	5%	0.045	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.6	156.8	171.1	25.4	-32.5	0	0	0	112.1	I625 L630 Y650 H656 L659	I625-P654 HydrophobicContact CD1-CG 4.47Å; I625-P654 HydrophobicContact CG1-CB 4.08Å; I625-P654 HydrophobicContact CG1-CG 4.49Å; L630-P654 HydrophobicContact CD1-CB 3.37Å; L630-P654 HydrophobicContact CD1-CG 4.08Å; Y650-P654 HydrophobicContact CE1-CG 4.43Å; Y650-P654 HydrophobicContact CE2-CG 4.39Å; P654-H656 PolarHBondContact O-N 3.2Å; P654-L659 HydrophobicContact CB-CG 4.21Å; P654-L659 HydrophobicContact CG-CD1 3.7Å; P654-L659 HydrophobicContact CG-CD2 3.92Å; P654-L659 HydrophobicContact CG-CG 3.75Å
655	P	90.3	Very high	89.3	Confident	55 Å²	55	52.6 Å²	52.6	36%	0.357	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.2	135.3	171	-22.1	31.9	0	0	0	111.9	Q626 D657 A658 L659	Q626-P655 HydrophobicContact CB-CG 4.46Å; P655-D657 VanDerWaalsContact C-N 3.32Å; P655-D657 PolarHBondContact O-N 3.14Å; P655-A658 HydrophobicContact CB-CB 4.25Å; P655-A658 WeakPolarHBondContact O-CB 3.43Å; P655-A658 PolarHBondContact O-N 3.49Å; P655-A658 VanDerWaalsContact O-N 3.08Å; P655-L659 PolarHBondContact O-N 3.22Å
656	H	88.8	Confident	89.5	Confident	126 Å²	126	52.1 Å²	52.1	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-56.9	-42.9	179.8	-64.2	-65.9	0	0	0	112.9	P654 A658 L659 I660	P654-H656 PolarHBondContact O-N 3.2Å; H656-A658 VanDerWaalsContact C-N 3.25Å; H656-A658 PolarHBondContact O-N 2.82Å; H656-L659 PolarHBondContact O-N 2.76Å; H656-I660 VanDerWaalsContact O-CG1 3.31Å; H656-I660 WeakPolarHBondContact O-CG1 3.31Å; H656-I660 PolarHBondContact O-N 2.83Å
657	D	87.3	Confident	89.7	Confident	109 Å²	109	52.9 Å²	52.9	58%	0.583	27%	0.266	S	S	*	.	H	α-helix	trans	-59.3	-37.4	178.2	-71.2	-5.7	0	0	0	112.1	P655 M661	P655-D657 VanDerWaalsContact C-N 3.32Å; P655-D657 PolarHBondContact O-N 3.14Å; D657-M661 WeakPolarHBondContact O-CB 3.1Å; D657-M661 WeakPolarHBondContact O-CG 3.45Å; D657-M661 PolarHBondContact O-N 3.31Å
658	A	88.1	Confident	89.9	Confident	11 Å²	11	45.8 Å²	45.8	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-40.2	178.4	0	0	0	0	0	111.7	A572 L630 P655 H656 A662	A572-A658 HydrophobicContact CB-CB 4.37Å; L630-A658 HydrophobicContact CD1-CB 3.93Å; P655-A658 HydrophobicContact CB-CB 4.25Å; P655-A658 WeakPolarHBondContact O-CB 3.43Å; P655-A658 PolarHBondContact O-N 3.49Å; P655-A658 VanDerWaalsContact O-N 3.08Å; H656-A658 VanDerWaalsContact C-N 3.25Å; H656-A658 PolarHBondContact O-N 2.82Å; A658-A662 WeakPolarHBondContact O-CB 3.47Å; A658-A662 PolarHBondContact O-N 3.48Å
659	L	89.2	Confident	90	Very high	10 Å²	10	45 Å²	45	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-45.5	174.1	-78	177.7	0	0	0	112.1	L630 V634 L646 P654 P655 H656 A662 L663	L630-L659 HydrophobicContact CD1-CD2 3.81Å; L630-L659 HydrophobicContact CD1-CG 4.07Å; V634-L659 HydrophobicContact CG2-CD2 3.95Å; L646-L659 HydrophobicContact CD2-CD1 4.07Å; P654-L659 HydrophobicContact CB-CG 4.21Å; P654-L659 HydrophobicContact CG-CD1 3.7Å; P654-L659 HydrophobicContact CG-CD2 3.92Å; P654-L659 HydrophobicContact CG-CG 3.75Å; P655-L659 PolarHBondContact O-N 3.22Å; H656-L659 PolarHBondContact O-N 2.76Å; L659-A662 PolarHBondContact O-N 2.76Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.74Å
660	I	89.1	Confident	90	Very high	86 Å²	86	43.8 Å²	43.8	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-48.6	179.6	-67.6	165.3	0	0	0	110	H656 A662 L663 E664	H656-I660 VanDerWaalsContact O-CG1 3.31Å; H656-I660 WeakPolarHBondContact O-CG1 3.31Å; H656-I660 PolarHBondContact O-N 2.83Å; I660-A662 VanDerWaalsContact C-N 3.29Å; I660-A662 PolarHBondContact O-N 2.85Å; I660-L663 PolarHBondContact O-N 3.37Å; I660-L663 VanDerWaalsContact O-N 3.15Å; I660-E664 HydrophobicContact CG2-CG 4.38Å; I660-E664 WeakPolarHBondContact O-CG 3.26Å; I660-E664 PolarHBondContact O-N 3.44Å
661	M	86.8	Confident	90	Very high	38 Å²	38	42.7 Å²	42.7	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-37.7	178.7	-69.8	-103.9	74.5	0	0	112.1	A572 D657 E664 Q665	A572-M661 HydrophobicContact CB-CB 4.42Å; A572-M661 HydrophobicContact CB-CG 4.09Å; D657-M661 WeakPolarHBondContact O-CB 3.1Å; D657-M661 WeakPolarHBondContact O-CG 3.45Å; D657-M661 PolarHBondContact O-N 3.31Å; M661-E664 WeakPolarHBondContact CE-OE2 3.39Å; M661-Q665 WeakPolarHBondContact O-CB 3.23Å; M661-Q665 PolarHBondContact O-N 3.09Å
662	A	89.9	Confident	90.1	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-43.8	174.2	0	0	0	0	0	112	L630 V634 A658 L659 I660 Q665 L666	L630-A662 HydrophobicContact CB-CB 4.23Å; V634-A662 HydrophobicContact CG2-CB 4Å; A658-A662 WeakPolarHBondContact O-CB 3.47Å; A658-A662 PolarHBondContact O-N 3.48Å; L659-A662 PolarHBondContact O-N 2.76Å; I660-A662 VanDerWaalsContact C-N 3.29Å; I660-A662 PolarHBondContact O-N 2.85Å; A662-Q665 PolarHBondContact O-N 3.46Å; A662-L666 WeakPolarHBondContact O-CB 3.35Å; A662-L666 VanDerWaalsContact O-CG 3.29Å; A662-L666 WeakPolarHBondContact O-CG 3.4Å; A662-L666 PolarHBondContact O-N 2.95Å
663	L	90.6	Very high	90.1	Very high	56 Å²	56	42 Å²	42	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-44.9	176	-74	170.4	0	0	0	112.1	V634 L645 L659 I660 Q665 L666 Y667 L672	V634-L663 HydrophobicContact CG1-CD2 3.79Å; V634-L663 HydrophobicContact CG1-CG 4.38Å; L645-L663 HydrophobicContact CD1-CD2 3.92Å; L645-L663 HydrophobicContact CD1-CG 4.48Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 2.74Å; I660-L663 PolarHBondContact O-N 3.37Å; I660-L663 VanDerWaalsContact O-N 3.15Å; L663-Q665 VanDerWaalsContact C-N 3.31Å; L663-Q665 PolarHBondContact O-N 3.17Å; L663-L666 PolarHBondContact O-N 3.45Å; L663-Y667 WeakPolarHBondContact O-CB 3.49Å; L663-Y667 PolarHBondContact O-N 2.84Å; L663-L672 HydrophobicContact CD2-CD1 3.61Å
664	E	89.3	Confident	89.7	Confident	101 Å²	101	41.9 Å²	41.9	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-59.6	-42.7	175.8	-75.3	-176.5	-176	0	0	111.6	I660 M661 Y667 A668	I660-E664 HydrophobicContact CG2-CG 4.38Å; I660-E664 WeakPolarHBondContact O-CG 3.26Å; I660-E664 PolarHBondContact O-N 3.44Å; M661-E664 WeakPolarHBondContact CE-OE2 3.39Å; E664-Y667 PolarHBondContact O-N 2.92Å; E664-A668 VanDerWaalsContact O-CB 3.3Å; E664-A668 WeakPolarHBondContact O-CB 3.17Å; E664-A668 PolarHBondContact O-N 3.45Å
665	Q	89.3	Confident	89.3	Confident	11 Å²	11	45.9 Å²	45.9	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-44.7	177.7	-173.7	175.5	32.3	0	0	111.6	M661 A662 L663 A668 L669	M661-Q665 WeakPolarHBondContact O-CB 3.23Å; M661-Q665 PolarHBondContact O-N 3.09Å; A662-Q665 PolarHBondContact O-N 3.46Å; L663-Q665 VanDerWaalsContact C-N 3.31Å; L663-Q665 PolarHBondContact O-N 3.17Å; Q665-A668 PolarHBondContact O-N 2.99Å; Q665-L669 HydrophobicContact CG-CD1 4.22Å; Q665-L669 VanDerWaalsContact O-CG 3.29Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.41Å
666	L	92	Very high	89.1	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-39.1	178	-72.5	173.1	0	0	0	112.2	V634 L635 A662 L663 L669 G670 A671 L672 P692	V634-L666 HydrophobicContact CB-CD1 3.91Å; V634-L666 HydrophobicContact CG1-CD1 3.48Å; V634-L666 VanDerWaalsContact CG1-CD1 3.48Å; L635-L666 HydrophobicContact CB-CD1 4.18Å; L635-L666 HydrophobicContact CB-CD2 4.08Å; L635-L666 HydrophobicContact CD1-CD2 4.3Å; L635-L666 HydrophobicContact CD2-CD2 4.45Å; A662-L666 WeakPolarHBondContact O-CB 3.35Å; A662-L666 VanDerWaalsContact O-CG 3.29Å; A662-L666 WeakPolarHBondContact O-CG 3.4Å; A662-L666 PolarHBondContact O-N 2.95Å; L663-L666 PolarHBondContact O-N 3.45Å; L666-L669 PolarHBondContact O-N 3.26Å; L666-G670 PolarHBondContact O-N 2.95Å; L666-A671 HydrophobicContact CB-CB 4.26Å; L666-A671 HydrophobicContact CD2-CB 4.11Å; L666-A671 WeakPolarHBondContact O-CB 3.28Å; L666-A671 PolarHBondContact O-N 3.36Å; L666-L672 HydrophobicContact CB-CD1 3.74Å; L666-L672 HydrophobicContact CB-CG 3.96Å; L666-L672 HydrophobicContact CD1-CD1 4.35Å; L666-P692 HydrophobicContact CD2-CB 3.76Å; L666-P692 HydrophobicContact CD2-CG 3.77Å
667	Y	92.2	Very high	89.1	Confident	120 Å²	120	40.6 Å²	40.6	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-47.1	171.7	177.4	-103.2	0	0	0	111	L663 E664 L669 G670 L672	L663-Y667 WeakPolarHBondContact O-CB 3.49Å; L663-Y667 PolarHBondContact O-N 2.84Å; E664-Y667 PolarHBondContact O-N 2.92Å; Y667-L669 VanDerWaalsContact C-N 3.3Å; Y667-L669 PolarHBondContact O-N 2.93Å; Y667-G670 WeakPolarHBondContact O-CA 3.39Å; Y667-G670 PolarHBondContact O-N 2.95Å; Y667-L672 WeakPolarHBondContact CD2-O 3.27Å
668	A	90.1	Very high	89.1	Confident	6 Å²	6	36.6 Å²	36.6	5%	0.05	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-38.4	177	0	0	0	0	0	112.2	E664 Q665 G670 F818 H884 Y885	E664-A668 VanDerWaalsContact O-CB 3.3Å; E664-A668 WeakPolarHBondContact O-CB 3.17Å; E664-A668 PolarHBondContact O-N 3.45Å; Q665-A668 PolarHBondContact O-N 2.99Å; A668-G670 PolarHBondContact O-N 3.21Å; A668-F818 HydrophobicContact CB-CE2 4.26Å; A668-F818 HydrophobicContact CB-CZ 4.07Å; A668-F818 VanDerWaalsContact O-CZ 3.28Å; A668-F818 WeakPolarHBondContact O-CZ 3.32Å; A668-H884 PolarHBondContact O-NE2 3.13Å; A668-Y885 HydrophobicContact CB-CD2 4.08Å; A668-Y885 HydrophobicContact CB-CE2 4.4Å
669	L	91.7	Very high	89.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-69.5	-12.7	175.2	-69.9	168.1	0	0	0	113	Q665 L666 Y667 M685 P692 Q693 K696 G816 F818	Q665-L669 HydrophobicContact CG-CD1 4.22Å; Q665-L669 VanDerWaalsContact O-CG 3.29Å; Q665-L669 WeakPolarHBondContact O-CG 3.19Å; Q665-L669 PolarHBondContact O-N 3.41Å; L666-L669 PolarHBondContact O-N 3.26Å; Y667-L669 VanDerWaalsContact C-N 3.3Å; Y667-L669 PolarHBondContact O-N 2.93Å; L669-M685 HydrophobicContact CB-CE 4.4Å; L669-M685 HydrophobicContact CD1-CE 4.24Å; L669-P692 HydrophobicContact CD1-CB 3.64Å; L669-Q693 HydrophobicContact CD1-CG 4.42Å; L669-K696 HydrophobicContact CD2-CB 4.14Å; L669-K696 HydrophobicContact CD2-CG 4.05Å; L669-K696 WeakPolarHBondContact O-CE 3.47Å; L669-K696 PolarHBondContact O-NZ 3.41Å; L669-G816 WeakPolarHBondContact CD2-O 3.33Å; L669-F818 HydrophobicContact CD2-CE1 3.82Å; L669-F818 HydrophobicContact CD2-CZ 4.25Å
670	G	90.6	Very high	89.2	Confident	27 Å²	27	40.4 Å²	40.4	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	14.7	-175.5	0	0	0	0	0	113.6	L666 Y667 A668 L672 T679	L666-G670 PolarHBondContact O-N 2.95Å; Y667-G670 WeakPolarHBondContact O-CA 3.39Å; Y667-G670 PolarHBondContact O-N 2.95Å; A668-G670 PolarHBondContact O-N 3.21Å; G670-L672 VanDerWaalsContact C-N 3.33Å; G670-T679 PolarHBondContact O-OG1 3.33Å
671	A	91.6	Very high	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-74.1	-27.5	175.4	0	0	0	0	0	112	L635 L666 T679 G682 M685	L635-A671 HydrophobicContact CD1-CB 4.21Å; L666-A671 HydrophobicContact CB-CB 4.26Å; L666-A671 HydrophobicContact CD2-CB 4.11Å; L666-A671 WeakPolarHBondContact O-CB 3.28Å; L666-A671 PolarHBondContact O-N 3.36Å; A671-T679 PolarHBondContact O-N 3.25Å; A671-T679 PolarHBondContact O-OG1 2.85Å; A671-G682 WeakPolarHBondContact O-CA 3.38Å; A671-M685 HydrophobicContact CB-CE 4.09Å; A671-M685 HydrophobicContact CB-SD 3.93Å
672	L	91.9	Very high	89.4	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-118.4	148.4	178.1	-57.9	175.7	0	0	0	111	K638 L663 L666 Y667 G670 E677 L678	K638-L672 HydrophobicContact CG-CD2 4.37Å; L663-L672 HydrophobicContact CD2-CD1 3.61Å; L666-L672 HydrophobicContact CB-CD1 3.74Å; L666-L672 HydrophobicContact CB-CG 3.96Å; L666-L672 HydrophobicContact CD1-CD1 4.35Å; Y667-L672 WeakPolarHBondContact CD2-O 3.27Å; G670-L672 VanDerWaalsContact C-N 3.33Å; L672-E677 CarbonylContact C-O 3.59Å; L672-E677 VanDerWaalsContact CA-O 3.3Å; L672-E677 WeakPolarHBondContact CA-O 3.41Å; L672-L678 HydrophobicContact CD2-CD1 4.14Å
673	N	89.1	Confident	89.4	Confident	27 Å²	27	39.2 Å²	39.2	14%	0.144	20%	0.195	C	C	.	.			trans	-86.5	-179.6	170.7	70.5	13.2	0	0	0	111.7	K675 G676 E677 T679	N673-K675 PolarHBondContact O-N 3.21Å; N673-K675 VanDerWaalsContact O-N 3.13Å; N673-K675 WeakPolarHBondContact OD1-CA 3.17Å; N673-K675 PolarHBondContact OD1-N 2.63Å; N673-G676 PolarHBondContact O-N 2.83Å; N673-G676 PolarHBondContact OD1-N 2.84Å; N673-G676 VanDerWaalsContact OD1-N 3.14Å; N673-E677 PolarHBondContact N-O 2.73Å; N673-E677 PolarHBondContact ND2-OE2 2.82Å; N673-E677 PolarHBondContact OD1-N 3.09Å; N673-E677 PolarHBondContact OD1-O 3.34Å; N673-T679 HydrophobicContact CB-CG2 4.11Å
674	H	85.1	Confident	89.3	Confident	77 Å²	77	38.3 Å²	38.3	36%	0.356	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	-179.5	67.7	-104.4	0	0	0	113.9	E41	E41-H674 IonicContact OE2-CE1 3.98Å; E41-H674 PolarHBondContact OE2-CE1 3.46Å; E41-H674 IonicContact OE2-CG 3.26Å; E41-H674 IonicContact OE2-ND1 3.09Å; E41-H674 PolarHBondContact OE2-ND1 2.99Å; E41-H674 IonicContact OE2-NE2 2.59Å
675	K	83.4	Confident	89.4	Confident	90 Å²	90	33.5 Å²	33.5	39%	0.391	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.2	174.5	-60.1	-169.2	169.9	176	0	113.2	E42 N673 E677	E42-K675 WeakPolarHBondContact OE1-CE 3.28Å; E42-K675 IonicContact OE1-NZ 2.73Å; E42-K675 PolarHBondContact OE1-NZ 2.91Å; N673-K675 PolarHBondContact O-N 3.21Å; N673-K675 VanDerWaalsContact O-N 3.13Å; N673-K675 WeakPolarHBondContact OD1-CA 3.17Å; N673-K675 PolarHBondContact OD1-N 2.63Å; K675-E677 VanDerWaalsContact C-N 3.31Å; K675-E677 HydrophobicContact CB-CG 4.17Å
676	G	85.5	Confident	89.4	Confident	22 Å²	22	33.6 Å²	33.6	23%	0.227	17%	0.169	C	C	.	.	S	Bend	trans	74.9	18.9	-175.9	0	0	0	0	0	114.1	K638 N673	K638-G676 VanDerWaalsContact CE-O 3.32Å; K638-G676 WeakPolarHBondContact CE-O 3.5Å; K638-G676 PolarHBondContact NZ-O 3.07Å; N673-G676 PolarHBondContact O-N 2.83Å; N673-G676 PolarHBondContact OD1-N 2.84Å; N673-G676 VanDerWaalsContact OD1-N 3.14Å
677	E	87.6	Confident	89.1	Confident	48 Å²	48	35 Å²	35	22%	0.224	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-90.3	153.8	173.4	-52.9	168	152	0	0	110.3	R45 L672 N673 K675 T679	R45-E677 IonicContact CZ-OE1 3.61Å; R45-E677 IonicContact CZ-OE2 2.76Å; R45-E677 IonicContact NE-OE1 3.38Å; R45-E677 PolarHBondContact NE-OE1 3.46Å; R45-E677 IonicContact NE-OE2 2.8Å; R45-E677 PolarHBondContact NE-OE2 3.18Å; R45-E677 IonicContact NH2-OE1 3.11Å; R45-E677 PolarHBondContact NH2-OE1 3.01Å; R45-E677 IonicContact NH2-OE2 2.97Å; L672-E677 CarbonylContact C-O 3.59Å; L672-E677 VanDerWaalsContact CA-O 3.3Å; L672-E677 WeakPolarHBondContact CA-O 3.41Å; N673-E677 PolarHBondContact N-O 2.73Å; N673-E677 PolarHBondContact ND2-OE2 2.82Å; N673-E677 PolarHBondContact OD1-N 3.09Å; N673-E677 PolarHBondContact OD1-O 3.34Å; K675-E677 VanDerWaalsContact C-N 3.31Å; K675-E677 HydrophobicContact CB-CG 4.17Å; E677-T679 PolarHBondContact O-N 3.41Å
678	L	89.2	Confident	88.8	Confident	26 Å²	26	29.3 Å²	29.3	14%	0.136	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-75.8	121.3	-175.6	-165.8	71.2	0	0	0	112.4	L635 K638 L672 R683	L635-L678 HydrophobicContact CD1-CD1 3.58Å; K638-L678 HydrophobicContact CB-CD1 4.36Å; L672-L678 HydrophobicContact CD2-CD1 4.14Å; L678-R683 HydrophobicContact CD2-CB 4.32Å; L678-R683 HydrophobicContact CD2-CG 3.35Å; L678-R683 HydrophobicContact CG-CG 3.82Å
679	T	91.1	Very high	88.4	Confident	24 Å²	24	30.5 Å²	30.5	15%	0.147	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-76.2	168.7	177.2	68.9	0	0	0	0	111.7	D48 G670 A671 N673 E677 M681 G682 R683	D48-T679 WeakPolarHBondContact OD2-CA 3.43Å; G670-T679 PolarHBondContact O-OG1 3.33Å; A671-T679 PolarHBondContact O-N 3.25Å; A671-T679 PolarHBondContact O-OG1 2.85Å; N673-T679 HydrophobicContact CB-CG2 4.11Å; E677-T679 PolarHBondContact O-N 3.41Å; T679-M681 PolarHBondContact O-N 3.03Å; T679-M681 PolarHBondContact OG1-N 3.14Å; T679-G682 PolarHBondContact O-N 2.88Å; T679-G682 VanDerWaalsContact O-N 3.09Å; T679-G682 PolarHBondContact OG1-N 3.03Å; T679-R683 PolarHBondContact O-N 3.14Å; T679-R683 PolarHBondContact O-NE 3.22Å
680	K	87.7	Confident	88.1	Confident	77 Å²	77	30.6 Å²	30.6	34%	0.335	16%	0.161	S	C	.	.	H	α-helix	trans	-48.7	-45.3	166.4	175.7	-178.1	-179.3	176.1	0	111.8	D48 E51 R683 Q684	D48-K680 WeakPolarHBondContact OD1-CA 3.23Å; D48-K680 WeakPolarHBondContact OD1-CB 3.32Å; D48-K680 PolarHBondContact OD1-N 3.09Å; D48-K680 PolarHBondContact OD2-N 3.04Å; E51-K680 WeakPolarHBondContact OE1-CD 3.35Å; E51-K680 WeakPolarHBondContact OE1-CE 3.2Å; E51-K680 IonicContact OE1-NZ 2.66Å; E51-K680 PolarHBondContact OE1-NZ 2.94Å; E51-K680 WeakPolarHBondContact OE2-CD 3.28Å; E51-K680 IonicContact OE2-NZ 3.08Å; K680-R683 PolarHBondContact O-N 3.04Å; K680-Q684 WeakPolarHBondContact O-CG 3.49Å; K680-Q684 PolarHBondContact O-N 2.86Å
681	M	89	Confident	87.9	Confident	65 Å²	65	33.2 Å²	33.2	32%	0.32	17%	0.169	S	C	.	.	H	α-helix	trans	-65.3	-42.1	179.3	-172.3	166.9	-72.8	0	0	111.6	T679 R683 Q684 M685 K696 L699	T679-M681 PolarHBondContact O-N 3.03Å; T679-M681 PolarHBondContact OG1-N 3.14Å; M681-R683 VanDerWaalsContact C-N 3.32Å; M681-R683 PolarHBondContact O-N 3.3Å; M681-Q684 PolarHBondContact O-N 3.03Å; M681-M685 HydrophobicContact CG-CG 4.43Å; M681-M685 HydrophobicContact CG-SD 4.1Å; M681-M685 WeakPolarHBondContact O-CB 3.3Å; M681-M685 WeakPolarHBondContact O-CG 3.35Å; M681-M685 PolarHBondContact O-N 3.34Å; M681-K696 HydrophobicContact SD-CD 3.67Å; M681-K696 PolarHBondContact SD-NZ 3.34Å; M681-L699 HydrophobicContact CG-CD1 3.81Å
682	G	91.2	Very high	87.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-41.8	174.8	0	0	0	0	0	112.8	A671 T679 M685 A686	A671-G682 WeakPolarHBondContact O-CA 3.38Å; T679-G682 PolarHBondContact O-N 2.88Å; T679-G682 VanDerWaalsContact O-N 3.09Å; T679-G682 PolarHBondContact OG1-N 3.03Å; G682-M685 WeakPolarHBondContact O-CB 3.48Å; G682-M685 PolarHBondContact O-N 2.79Å; G682-A686 PolarHBondContact O-N 2.76Å
683	R	88.5	Confident	87.9	Confident	35 Å²	35	33.8 Å²	33.8	13%	0.132	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-47	174.5	-73.1	174.6	-90.5	141.2	-16.2	112.1	D48 R52 L678 T679 K680 M681 M685 A686	D48-R683 PolarHBondContact O-NH2 2.77Å; D48-R683 IonicContact OD1-NH2 2.69Å; D48-R683 PolarHBondContact OD1-NH2 3.2Å; D48-R683 VanDerWaalsContact OD1-NH2 3.11Å; D48-R683 IonicContact OD2-CZ 2.72Å; D48-R683 IonicContact OD2-NH2 3.46Å; D48-R683 PolarHBondContact OD2-NH2 3.11Å; R52-R683 VanDerWaalsContact CB-CZ 3.42Å; L678-R683 HydrophobicContact CD2-CB 4.32Å; L678-R683 HydrophobicContact CD2-CG 3.35Å; L678-R683 HydrophobicContact CG-CG 3.82Å; T679-R683 PolarHBondContact O-N 3.14Å; T679-R683 PolarHBondContact O-NE 3.22Å; K680-R683 PolarHBondContact O-N 3.04Å; M681-R683 VanDerWaalsContact C-N 3.32Å; M681-R683 PolarHBondContact O-N 3.3Å; R683-M685 VanDerWaalsContact C-N 3.27Å; R683-M685 PolarHBondContact O-N 2.72Å; R683-A686 PolarHBondContact O-N 3.18Å
684	Q	89.6	Confident	88.1	Confident	37 Å²	37	32.9 Å²	32.9	17%	0.173	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-33.3	175.6	-68.4	-179.8	-42.5	0	0	112.2	K680 M681 F688 L699 V795	K680-Q684 WeakPolarHBondContact O-CG 3.49Å; K680-Q684 PolarHBondContact O-N 2.86Å; M681-Q684 PolarHBondContact O-N 3.03Å; Q684-F688 VanDerWaalsContact O-CD2 3.3Å; Q684-F688 WeakPolarHBondContact O-CD2 3.28Å; Q684-L699 HydrophobicContact CB-CD1 3.75Å; Q684-L699 HydrophobicContact CB-CD2 3.89Å; Q684-V795 HydrophobicContact CB-CG1 3.84Å; Q684-V795 HydrophobicContact CG-CG1 3.77Å; Q684-V795 PolarHBondContact NE2-O 2.89Å
685	M	91.5	Very high	88.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-36.9	176.4	-72.9	172.3	53.7	0	0	112.5	L635 L669 A671 M681 G682 R683 E687 F688 P692 S695 K696 L699	L635-M685 HydrophobicContact CD2-CB 3.89Å; L635-M685 HydrophobicContact CD2-CE 4.37Å; L669-M685 HydrophobicContact CB-CE 4.4Å; L669-M685 HydrophobicContact CD1-CE 4.24Å; A671-M685 HydrophobicContact CB-CE 4.09Å; A671-M685 HydrophobicContact CB-SD 3.93Å; M681-M685 HydrophobicContact CG-CG 4.43Å; M681-M685 HydrophobicContact CG-SD 4.1Å; M681-M685 WeakPolarHBondContact O-CB 3.3Å; M681-M685 WeakPolarHBondContact O-CG 3.35Å; M681-M685 PolarHBondContact O-N 3.34Å; G682-M685 WeakPolarHBondContact O-CB 3.48Å; G682-M685 PolarHBondContact O-N 2.79Å; R683-M685 VanDerWaalsContact C-N 3.27Å; R683-M685 PolarHBondContact O-N 2.72Å; M685-E687 VanDerWaalsContact C-N 3.27Å; M685-E687 PolarHBondContact O-N 3.17Å; M685-F688 PolarHBondContact O-N 3.16Å; M685-P692 HydrophobicContact CE-CB 3.57Å; M685-P692 WeakPolarHBondContact CE-O 3.41Å; M685-S695 PolarHBondContact O-OG 3.27Å; M685-K696 HydrophobicContact CE-CB 4.28Å; M685-K696 HydrophobicContact SD-CB 4.21Å; M685-K696 HydrophobicContact SD-CD 4.47Å; M685-L699 HydrophobicContact CB-CD1 4.47Å; M685-L699 HydrophobicContact CG-CD1 3.46Å; M685-L699 VanDerWaalsContact CG-CD1 3.46Å
686	A	88.8	Confident	89	Confident	13 Å²	13	26.5 Å²	26.5	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-25.2	-179.4	0	0	0	0	0	113.3	L635 G682 R683 F688	L635-A686 HydrophobicContact CD2-CB 4.47Å; L635-A686 HydrophobicContact CG-CB 4.19Å; G682-A686 PolarHBondContact O-N 2.76Å; R683-A686 PolarHBondContact O-N 3.18Å; A686-F688 VanDerWaalsContact C-N 3.27Å; A686-F688 PolarHBondContact O-N 2.86Å
687	E	85.1	Confident	89.4	Confident	30 Å²	30	25.4 Å²	25.4	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-32	176.1	-73.2	-62.9	141.5	0	0	112.7	R373 M685 R794 V795	R373-E687 VanDerWaalsContact CZ-O 3.3Å; R373-E687 PolarHBondContact NH1-O 3.34Å; R373-E687 PolarHBondContact NH2-O 3.39Å; M685-E687 VanDerWaalsContact C-N 3.27Å; M685-E687 PolarHBondContact O-N 3.17Å; E687-R794 IonicContact OE2-NH1 2.73Å; E687-V795 HydrophobicContact CB-CG2 4.3Å
688	F	87.1	Confident	89.7	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.117	C	C	.	.	S	Bend	trans	-82.5	126.5	179.9	-64.3	-80.1	0	0	0	110.6	Q684 M685 A686 C690 I698 L699 F788 L791 L792 V795	Q684-F688 VanDerWaalsContact O-CD2 3.3Å; Q684-F688 WeakPolarHBondContact O-CD2 3.28Å; M685-F688 PolarHBondContact O-N 3.16Å; A686-F688 VanDerWaalsContact C-N 3.27Å; A686-F688 PolarHBondContact O-N 2.86Å; F688-C690 PolarHBondContact O-N 3.1Å; F688-I698 HydrophobicContact CD1-CD1 4.26Å; F688-I698 HydrophobicContact CE1-CG2 3.9Å; F688-I698 HydrophobicContact CE2-CG2 4.23Å; F688-I698 HydrophobicContact CZ-CG2 3.71Å; F688-L699 HydrophobicContact CE2-CD2 3.85Å; F688-L699 HydrophobicContact CE2-CG 4.5Å; F688-F788 HydrophobicContact CD1-CD1 4.3Å; F688-L791 HydrophobicContact CD1-CB 4.14Å; F688-L791 HydrophobicContact CD1-CD1 4.19Å; F688-L791 HydrophobicContact CE1-CB 3.84Å; F688-L792 HydrophobicContact CE1-CD2 4.3Å; F688-L792 HydrophobicContact CZ-CD2 3.99Å; F688-V795 HydrophobicContact CE2-CG2 3.83Å; F688-V795 HydrophobicContact CZ-CB 4.48Å; F688-V795 HydrophobicContact CZ-CG2 3.94Å
689	P	81.3	Confident	89.9	Confident	30 Å²	30	22.6 Å²	22.6	20%	0.195	11%	0.114	C	C	.	.	S	Bend	trans	-78.7	59.4	177.4	33.2	-34.3	0	0	0	110.2	R352 F788 L791	R352-P689 PolarHBondContact NE-O 3.34Å; R352-P689 PolarHBondContact NH2-O 3.46Å; P689-F788 HydrophobicContact CG-CE1 4.35Å; P689-L791 VanDerWaalsContact CD-CD1 3.49Å; P689-L791 HydrophobicContact CG-CD1 4.34Å
690	C	85.1	Confident	89.9	Confident	5 Å²	5	22.1 Å²	22.1	3%	0.034	11%	0.112	C	C	.	.	S	Bend	trans	-148.1	173.2	178.1	61.9	0	0	0	0	111.4	F688 L694 S695 F788	F688-C690 PolarHBondContact O-N 3.1Å; C690-L694 HydrophobicContact CB-CB 4.26Å; C690-S695 PolarHBondContact SG-OG 3.4Å; C690-F788 HydrophobicContact CB-CZ 4.39Å
691	N	87.5	Confident	90.1	Very high	83 Å²	83	18.4 Å²	18.4	44%	0.444	10%	0.096	S	C	.	.			trans	-61.3	146	-178.6	-70.4	-15.5	0	0	0	111	Q693 L694 S695	N691-Q693 VanDerWaalsContact C-N 3.25Å; N691-Q693 PolarHBondContact O-N 3.43Å; N691-Q693 VanDerWaalsContact O-N 3.1Å; N691-L694 WeakPolarHBondContact O-CA 3.3Å; N691-L694 VanDerWaalsContact O-CB 3.28Å; N691-L694 WeakPolarHBondContact O-CB 3.34Å; N691-L694 PolarHBondContact O-N 3.02Å; N691-S695 PolarHBondContact O-N 3.38Å; N691-S695 PolarHBondContact O-OG 2.76Å
692	P	91.6	Very high	90.2	Very high	3 Å²	3	18 Å²	18	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-51	-38.4	-178.7	-30.4	36	0	0	0	114.6	L635 L666 L669 M685 L694 S695 K696	L635-P692 HydrophobicContact CD2-CB 4.47Å; L635-P692 HydrophobicContact CD2-CG 4.15Å; L666-P692 HydrophobicContact CD2-CB 3.76Å; L666-P692 HydrophobicContact CD2-CG 3.77Å; L669-P692 HydrophobicContact CD1-CB 3.64Å; M685-P692 HydrophobicContact CE-CB 3.57Å; M685-P692 WeakPolarHBondContact CE-O 3.41Å; P692-L694 VanDerWaalsContact C-N 3.3Å; P692-L694 PolarHBondContact O-N 3.43Å; P692-S695 PolarHBondContact O-N 3.08Å; P692-K696 WeakPolarHBondContact O-CB 3.31Å; P692-K696 PolarHBondContact O-N 3.33Å
693	Q	92.1	Very high	90.2	Very high	15 Å²	15	24.4 Å²	24.4	7%	0.07	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-41	176.3	-58.7	99.5	-43.3	0	0	112.1	L669 N691 K696 M697 G816 F817	L669-Q693 HydrophobicContact CD1-CG 4.42Å; N691-Q693 VanDerWaalsContact C-N 3.25Å; N691-Q693 PolarHBondContact O-N 3.43Å; N691-Q693 VanDerWaalsContact O-N 3.1Å; Q693-K696 PolarHBondContact O-N 3.45Å; Q693-M697 PolarHBondContact O-N 2.97Å; Q693-G816 VanDerWaalsContact CB-O 3.29Å; Q693-G816 WeakPolarHBondContact CB-O 3.29Å; Q693-G816 WeakPolarHBondContact O-CA 3.29Å; Q693-F817 HydrophobicContact CB-CD1 4.07Å; Q693-F817 HydrophobicContact CB-CE1 3.82Å; Q693-F817 HydrophobicContact CB-CE2 4.33Å; Q693-F817 HydrophobicContact CB-CG 4.43Å; Q693-F817 HydrophobicContact CB-CZ 3.95Å
694	L	92.4	Very high	90.3	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-42.7	-179.7	-124.9	152.3	0	0	0	110.6	C690 N691 P692 M697 I698 A714 F817	C690-L694 HydrophobicContact CB-CB 4.26Å; N691-L694 WeakPolarHBondContact O-CA 3.3Å; N691-L694 VanDerWaalsContact O-CB 3.28Å; N691-L694 WeakPolarHBondContact O-CB 3.34Å; N691-L694 PolarHBondContact O-N 3.02Å; P692-L694 VanDerWaalsContact C-N 3.3Å; P692-L694 PolarHBondContact O-N 3.43Å; L694-M697 HydrophobicContact CD2-CE 3.72Å; L694-M697 HydrophobicContact CG-CE 4.22Å; L694-M697 WeakPolarHBondContact O-CB 3.24Å; L694-M697 PolarHBondContact O-N 3.17Å; L694-I698 WeakPolarHBondContact O-CG1 3.49Å; L694-I698 PolarHBondContact O-N 3.17Å; L694-I698 VanDerWaalsContact O-N 3.08Å; L694-A714 HydrophobicContact CD2-CB 3.38Å; L694-F817 HydrophobicContact CG-CZ 4.23Å
695	S	92.6	Very high	90.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-44.6	172.8	-51.7	0	0	0	0	111.4	M685 C690 N691 P692 M697 I698 L699	M685-S695 PolarHBondContact O-OG 3.27Å; C690-S695 PolarHBondContact SG-OG 3.4Å; N691-S695 PolarHBondContact O-N 3.38Å; N691-S695 PolarHBondContact O-OG 2.76Å; P692-S695 PolarHBondContact O-N 3.08Å; S695-M697 VanDerWaalsContact C-N 3.35Å; S695-M697 PolarHBondContact O-N 3.46Å; S695-I698 WeakPolarHBondContact O-CB 3.39Å; S695-I698 PolarHBondContact O-N 3.19Å; S695-I698 VanDerWaalsContact O-N 3.17Å; S695-L699 WeakPolarHBondContact O-CG 3.38Å; S695-L699 PolarHBondContact O-N 3.25Å
696	K	93.9	Very high	90.3	Very high	32 Å²	32	26.7 Å²	26.7	14%	0.139	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-40.2	177.7	176.8	67.7	178.8	-148.5	0	112.4	L669 M681 M685 P692 Q693 I698 L699 A700 A815	L669-K696 HydrophobicContact CD2-CB 4.14Å; L669-K696 HydrophobicContact CD2-CG 4.05Å; L669-K696 WeakPolarHBondContact O-CE 3.47Å; L669-K696 PolarHBondContact O-NZ 3.41Å; M681-K696 HydrophobicContact SD-CD 3.67Å; M681-K696 PolarHBondContact SD-NZ 3.34Å; M685-K696 HydrophobicContact CE-CB 4.28Å; M685-K696 HydrophobicContact SD-CB 4.21Å; M685-K696 HydrophobicContact SD-CD 4.47Å; P692-K696 WeakPolarHBondContact O-CB 3.31Å; P692-K696 PolarHBondContact O-N 3.33Å; Q693-K696 PolarHBondContact O-N 3.45Å; K696-I698 VanDerWaalsContact C-N 3.34Å; K696-L699 PolarHBondContact O-N 3.32Å; K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 2.71Å; K696-A815 VanDerWaalsContact CG-O 3.23Å; K696-A815 WeakPolarHBondContact CG-O 3.23Å
697	M	94.6	Very high	90.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-44.9	173.4	174.6	-176.7	74.3	0	0	111.2	Q693 L694 S695 A700 S701 I710 A714 L717 I813 F817	Q693-M697 PolarHBondContact O-N 2.97Å; L694-M697 HydrophobicContact CD2-CE 3.72Å; L694-M697 HydrophobicContact CG-CE 4.22Å; L694-M697 WeakPolarHBondContact O-CB 3.24Å; L694-M697 PolarHBondContact O-N 3.17Å; S695-M697 VanDerWaalsContact C-N 3.35Å; S695-M697 PolarHBondContact O-N 3.46Å; M697-A700 PolarHBondContact O-N 3.4Å; M697-S701 PolarHBondContact O-N 2.6Å; M697-I710 HydrophobicContact CE-CG2 4.11Å; M697-I710 HydrophobicContact CG-CD1 4.21Å; M697-I710 HydrophobicContact CG-CG2 3.76Å; M697-I710 HydrophobicContact SD-CD1 4.48Å; M697-I710 HydrophobicContact SD-CG2 4.4Å; M697-A714 HydrophobicContact CE-CB 3.87Å; M697-L717 HydrophobicContact CE-CD1 4.43Å; M697-I813 HydrophobicContact CG-CG1 4.39Å; M697-I813 HydrophobicContact SD-CB 4.3Å; M697-I813 HydrophobicContact SD-CG1 3.73Å; M697-I813 HydrophobicContact SD-CG2 4.49Å; M697-F817 HydrophobicContact CB-CE2 4.41Å; M697-F817 HydrophobicContact SD-CD2 4.36Å; M697-F817 HydrophobicContact SD-CE2 3.96Å
698	I	94	Very high	90.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-45.5	176.8	-67.2	165.3	0	0	0	110.7	F688 L694 S695 K696 A700 S701 I710 I711 A714 L792	F688-I698 HydrophobicContact CD1-CD1 4.26Å; F688-I698 HydrophobicContact CE1-CG2 3.9Å; F688-I698 HydrophobicContact CE2-CG2 4.23Å; F688-I698 HydrophobicContact CZ-CG2 3.71Å; L694-I698 WeakPolarHBondContact O-CG1 3.49Å; L694-I698 PolarHBondContact O-N 3.17Å; L694-I698 VanDerWaalsContact O-N 3.08Å; S695-I698 WeakPolarHBondContact O-CB 3.39Å; S695-I698 PolarHBondContact O-N 3.19Å; S695-I698 VanDerWaalsContact O-N 3.17Å; K696-I698 VanDerWaalsContact C-N 3.34Å; I698-A700 PolarHBondContact O-N 3.43Å; I698-S701 VanDerWaalsContact O-CB 3.24Å; I698-S701 WeakPolarHBondContact O-CB 3.5Å; I698-S701 PolarHBondContact O-N 2.55Å; I698-S701 PolarHBondContact O-OG 3.32Å; I698-I710 HydrophobicContact CG1-CG2 4.2Å; I698-I711 HydrophobicContact CD1-CD1 4.36Å; I698-I711 HydrophobicContact CG1-CD1 4.28Å; I698-I711 HydrophobicContact CG2-CD1 3.69Å; I698-A714 HydrophobicContact CD1-CB 4.02Å; I698-A714 HydrophobicContact CG1-CB 4.2Å; I698-L792 HydrophobicContact CG2-CD2 3.76Å
699	L	92.9	Very high	91.2	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.073	12%	0.122	C	C	.	.	H	α-helix	trans	-64.9	-39.3	178.3	-64.8	-177.8	0	0	0	112.9	M681 Q684 M685 F688 S695 K696 S701 D702 V795 I797	M681-L699 HydrophobicContact CG-CD1 3.81Å; Q684-L699 HydrophobicContact CB-CD1 3.75Å; Q684-L699 HydrophobicContact CB-CD2 3.89Å; M685-L699 HydrophobicContact CB-CD1 4.47Å; M685-L699 HydrophobicContact CG-CD1 3.46Å; M685-L699 VanDerWaalsContact CG-CD1 3.46Å; F688-L699 HydrophobicContact CE2-CD2 3.85Å; F688-L699 HydrophobicContact CE2-CG 4.5Å; S695-L699 WeakPolarHBondContact O-CG 3.38Å; S695-L699 PolarHBondContact O-N 3.25Å; K696-L699 PolarHBondContact O-N 3.32Å; L699-S701 PolarHBondContact O-N 3.39Å; L699-D702 PolarHBondContact O-N 3.4Å; L699-V795 HydrophobicContact CD2-CG1 3.51Å; L699-I797 HydrophobicContact CD2-CD1 3.72Å
700	A	92.4	Very high	91.9	Very high	14 Å²	14	23.3 Å²	23.3	12%	0.116	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-21.1	178	0	0	0	0	0	112.9	K696 M697 I698 D702 K703 Y704 A815	K696-A700 WeakPolarHBondContact O-CB 3.48Å; K696-A700 PolarHBondContact O-N 2.71Å; M697-A700 PolarHBondContact O-N 3.4Å; I698-A700 PolarHBondContact O-N 3.43Å; A700-D702 PolarHBondContact O-N 2.88Å; A700-K703 WeakPolarHBondContact O-CB 3.2Å; A700-K703 PolarHBondContact O-N 3.13Å; A700-Y704 HydrophobicContact CB-CE2 4.48Å; A700-Y704 WeakPolarHBondContact O-CD2 3.15Å; A700-Y704 PolarHBondContact O-N 3.07Å; A700-A815 HydrophobicContact CB-CB 3.46Å; A700-A815 VanDerWaalsContact CB-CB 3.46Å
701	S	92.1	Very high	92.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-25.8	179.7	77.5	0	0	0	0	113.7	M697 I698 L699 Y704 K705 C706 S707	M697-S701 PolarHBondContact O-N 2.6Å; I698-S701 VanDerWaalsContact O-CB 3.24Å; I698-S701 WeakPolarHBondContact O-CB 3.5Å; I698-S701 PolarHBondContact O-N 2.55Å; I698-S701 PolarHBondContact O-OG 3.32Å; L699-S701 PolarHBondContact O-N 3.39Å; S701-Y704 CarbonylContact O-C 3.54Å; S701-Y704 PolarHBondContact O-N 3.09Å; S701-K705 WeakPolarHBondContact O-CA 3.35Å; S701-K705 PolarHBondContact O-N 2.72Å; S701-C706 PolarHBondContact O-N 3.11Å; S701-C706 VanDerWaalsContact O-N 3.07Å; S701-S707 WeakPolarHBondContact OG-CA 3.48Å; S701-S707 VanDerWaalsContact OG-CB 3.3Å; S701-S707 WeakPolarHBondContact OG-CB 3.3Å
702	D	90.9	Very high	92.6	Very high	55 Å²	55	19.3 Å²	19.3	29%	0.294	9%	0.091	S	C	.	.	H	α-helix	trans	-67.2	-42.2	175	179.5	33.8	0	0	0	111.5	L699 A700 Y704 K705 I797	L699-D702 PolarHBondContact O-N 3.4Å; A700-D702 PolarHBondContact O-N 2.88Å; D702-Y704 PolarHBondContact O-N 3.47Å; D702-K705 VanDerWaalsContact O-CD 3.3Å; D702-K705 WeakPolarHBondContact O-CD 3.37Å; D702-K705 VanDerWaalsContact O-CE 3.26Å; D702-K705 WeakPolarHBondContact O-CE 3.24Å; D702-K705 PolarHBondContact O-N 3.19Å; D702-K705 PolarHBondContact O-NZ 3.38Å; D702-K705 IonicContact OD1-NZ 3.76Å; D702-K705 PolarHBondContact OD1-NZ 2.9Å; D702-I797 HydrophobicContact CB-CD1 4.38Å; D702-I797 HydrophobicContact CB-CG1 4.17Å; D702-I797 HydrophobicContact CB-CG2 3.97Å
703	K	89.8	Confident	92.8	Very high	136 Å²	136	19.1 Å²	19.1	59%	0.591	9%	0.09	S	C	*	.	H	α-helix	trans	-59.2	-37.6	176.5	-175.5	-175.7	175.9	-167.1	0	111.7	A700	A700-K703 WeakPolarHBondContact O-CB 3.2Å; A700-K703 PolarHBondContact O-N 3.13Å
704	Y	90.9	Very high	92.9	Very high	16 Å²	16	18.4 Å²	18.4	6%	0.063	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.8	-177.6	-56.7	-66	0	0	0	113.7	A700 S701 D702 C706 K811 A812 V881	A700-Y704 HydrophobicContact CB-CE2 4.48Å; A700-Y704 WeakPolarHBondContact O-CD2 3.15Å; A700-Y704 PolarHBondContact O-N 3.07Å; S701-Y704 CarbonylContact O-C 3.54Å; S701-Y704 PolarHBondContact O-N 3.09Å; D702-Y704 PolarHBondContact O-N 3.47Å; Y704-C706 VanDerWaalsContact C-N 3.29Å; Y704-C706 PolarHBondContact O-N 3.06Å; Y704-K811 HydrophobicContact CD1-CB 4.09Å; Y704-K811 HydrophobicContact CD1-CD 4.18Å; Y704-K811 HydrophobicContact CD2-CB 4.21Å; Y704-K811 HydrophobicContact CE1-CB 3.81Å; Y704-K811 HydrophobicContact CE1-CD 3.73Å; Y704-K811 HydrophobicContact CE1-CG 4.45Å; Y704-K811 HydrophobicContact CE2-CB 3.9Å; Y704-K811 HydrophobicContact CG-CB 4.3Å; Y704-A812 HydrophobicContact CD2-CB 3.83Å; Y704-V881 WeakPolarHBondContact OH-CG2 3.4Å
705	K	89.7	Confident	92.9	Very high	103 Å²	103	18 Å²	18	45%	0.448	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.9	177.5	-56.9	-63.4	171	-164.3	0	114.2	S701 D702 V800	S701-K705 WeakPolarHBondContact O-CA 3.35Å; S701-K705 PolarHBondContact O-N 2.72Å; D702-K705 VanDerWaalsContact O-CD 3.3Å; D702-K705 WeakPolarHBondContact O-CD 3.37Å; D702-K705 VanDerWaalsContact O-CE 3.26Å; D702-K705 WeakPolarHBondContact O-CE 3.24Å; D702-K705 PolarHBondContact O-N 3.19Å; D702-K705 PolarHBondContact O-NZ 3.38Å; D702-K705 IonicContact OD1-NZ 3.76Å; D702-K705 PolarHBondContact OD1-NZ 2.9Å; K705-V800 HydrophobicContact CB-CG1 4.37Å; K705-V800 WeakPolarHBondContact O-CG1 3.42Å
706	C	92.3	Very high	92.9	Very high	1 Å²	1	18 Å²	18	1%	0.007	8%	0.084	C	C	.	.			trans	-133.1	34	178.6	57	0	0	0	0	112.3	S701 Y704 G708 D709 I710 V800 I809	S701-C706 PolarHBondContact O-N 3.11Å; S701-C706 VanDerWaalsContact O-N 3.07Å; Y704-C706 VanDerWaalsContact C-N 3.29Å; Y704-C706 PolarHBondContact O-N 3.06Å; C706-G708 PolarHBondContact O-N 2.89Å; C706-D709 PolarHBondContact O-N 3.01Å; C706-I710 WeakPolarHBondContact O-CB 3.15Å; C706-I710 VanDerWaalsContact O-CG1 3.31Å; C706-I710 WeakPolarHBondContact O-CG1 3.33Å; C706-I710 PolarHBondContact O-N 3.33Å; C706-V800 CarbonylContact C-O 3.54Å; C706-I809 HydrophobicContact CB-CG1 3.96Å
707	S	92.5	Very high	92.8	Very high	1 Å²	1	17 Å²	17	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-42.1	-173.6	53.7	0	0	0	0	113.4	S701 D709 I710 I711 D798 L799 V800	S701-S707 WeakPolarHBondContact OG-CA 3.48Å; S701-S707 VanDerWaalsContact OG-CB 3.3Å; S701-S707 WeakPolarHBondContact OG-CB 3.3Å; S707-D709 PolarHBondContact O-N 3.15Å; S707-I710 PolarHBondContact O-N 2.96Å; S707-I711 WeakPolarHBondContact O-CB 3.2Å; S707-I711 WeakPolarHBondContact O-CG1 3.3Å; S707-I711 PolarHBondContact O-N 3.03Å; S707-D798 WeakPolarHBondContact CB-O 3.49Å; S707-D798 PolarHBondContact OG-O 3.44Å; S707-L799 WeakPolarHBondContact OG-CA 3.21Å; S707-V800 PolarHBondContact N-O 3.12Å; S707-V800 VanDerWaalsContact N-O 3.15Å; S707-V800 PolarHBondContact OG-N 3.45Å
708	G	92.3	Very high	92.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.1	-32.6	-179.2	0	0	0	0	0	113.8	C706 T712 L799 V800 N801	C706-G708 PolarHBondContact O-N 2.89Å; G708-T712 WeakPolarHBondContact O-CB 3.48Å; G708-T712 PolarHBondContact O-N 2.74Å; G708-T712 VanDerWaalsContact O-N 3.14Å; G708-T712 PolarHBondContact O-OG1 3.44Å; G708-L799 VanDerWaalsContact CA-CD1 3.45Å; G708-V800 PolarHBondContact N-O 3.48Å; G708-N801 WeakPolarHBondContact CA-OD1 3.42Å
709	D	94.4	Very high	91.7	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-67.7	-44.9	172.2	-55.3	-72.7	0	0	0	111	C706 S707 T712 I713 L752 N802 P803 I809	C706-D709 PolarHBondContact O-N 3.01Å; S707-D709 PolarHBondContact O-N 3.15Å; D709-T712 WeakPolarHBondContact O-CB 3.24Å; D709-T712 PolarHBondContact O-N 3.35Å; D709-I713 WeakPolarHBondContact O-CG1 3.4Å; D709-I713 PolarHBondContact O-N 3.29Å; D709-L752 HydrophobicContact CB-CD1 4.29Å; D709-L752 HydrophobicContact CB-CD2 4.06Å; D709-N802 PolarHBondContact OD2-N 2.91Å; D709-P803 WeakPolarHBondContact OD1-CA 3.42Å; D709-I809 HydrophobicContact CB-CD1 3.86Å; D709-I809 HydrophobicContact CB-CG1 4.18Å
710	I	95.3	Very high	91	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-39.5	-179.5	-70.1	-68.5	0	0	0	112.1	M697 I698 C706 S707 T712 I713 A714 I809 A812 I813	M697-I710 HydrophobicContact CE-CG2 4.11Å; M697-I710 HydrophobicContact CG-CD1 4.21Å; M697-I710 HydrophobicContact CG-CG2 3.76Å; M697-I710 HydrophobicContact SD-CD1 4.48Å; M697-I710 HydrophobicContact SD-CG2 4.4Å; I698-I710 HydrophobicContact CG1-CG2 4.2Å; C706-I710 WeakPolarHBondContact O-CB 3.15Å; C706-I710 VanDerWaalsContact O-CG1 3.31Å; C706-I710 WeakPolarHBondContact O-CG1 3.33Å; C706-I710 PolarHBondContact O-N 3.33Å; S707-I710 PolarHBondContact O-N 2.96Å; I710-T712 VanDerWaalsContact C-N 3.28Å; I710-T712 PolarHBondContact O-N 3.39Å; I710-I713 HydrophobicContact CD1-CD1 4.45Å; I710-I713 PolarHBondContact O-N 2.87Å; I710-A714 VanDerWaalsContact O-CB 3.28Å; I710-A714 WeakPolarHBondContact O-CB 3.42Å; I710-A714 PolarHBondContact O-N 3.11Å; I710-I809 HydrophobicContact CD1-CG2 3.96Å; I710-A812 HydrophobicContact CD1-CB 3.7Å; I710-A812 HydrophobicContact CG1-CB 3.93Å; I710-I813 HydrophobicContact CD1-CG1 3.93Å
711	I	94.4	Very high	90	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-40.6	174.5	-67	-82.3	0	0	0	110.2	I698 S707 A714 S715 R785 F788 V789 L792	I698-I711 HydrophobicContact CD1-CD1 4.36Å; I698-I711 HydrophobicContact CG1-CD1 4.28Å; I698-I711 HydrophobicContact CG2-CD1 3.69Å; S707-I711 WeakPolarHBondContact O-CB 3.2Å; S707-I711 WeakPolarHBondContact O-CG1 3.3Å; S707-I711 PolarHBondContact O-N 3.03Å; I711-A714 PolarHBondContact O-N 3.02Å; I711-S715 WeakPolarHBondContact O-CB 3.42Å; I711-S715 PolarHBondContact O-N 3.49Å; I711-S715 PolarHBondContact O-OG 3.4Å; I711-R785 HydrophobicContact CG2-CG 3.99Å; I711-F788 HydrophobicContact CD1-CB 3.74Å; I711-F788 HydrophobicContact CG2-CB 3.68Å; I711-F788 HydrophobicContact CG2-CD2 4.35Å; I711-V789 HydrophobicContact CG2-CG2 4.17Å; I711-L792 HydrophobicContact CD1-CD1 3.8Å; I711-L792 HydrophobicContact CD1-CD2 3.86Å; I711-L792 HydrophobicContact CD1-CG 3.79Å; I711-L792 HydrophobicContact CG1-CD1 3.77Å; I711-L792 HydrophobicContact CG1-CG 4.34Å
712	T	94.6	Very high	89.1	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-48.4	175.7	-56.3	0	0	0	0	110.4	G708 D709 I710 A714 S715 M716 L752 Y755 R785	G708-T712 WeakPolarHBondContact O-CB 3.48Å; G708-T712 PolarHBondContact O-N 2.74Å; G708-T712 VanDerWaalsContact O-N 3.14Å; G708-T712 PolarHBondContact O-OG1 3.44Å; D709-T712 WeakPolarHBondContact O-CB 3.24Å; D709-T712 PolarHBondContact O-N 3.35Å; I710-T712 VanDerWaalsContact C-N 3.28Å; I710-T712 PolarHBondContact O-N 3.39Å; T712-A714 PolarHBondContact O-N 3.31Å; T712-S715 PolarHBondContact O-N 3.14Å; T712-S715 PolarHBondContact O-OG 2.76Å; T712-M716 VanDerWaalsContact O-CG 3.3Å; T712-M716 WeakPolarHBondContact O-CG 3.43Å; T712-M716 PolarHBondContact O-N 2.93Å; T712-L752 HydrophobicContact CG2-CD1 3.84Å; T712-Y755 HydrophobicContact CG2-CD1 3.3Å; T712-Y755 HydrophobicContact CG2-CD2 4.13Å; T712-Y755 HydrophobicContact CG2-CE1 3.98Å; T712-Y755 HydrophobicContact CG2-CG 3.39Å; T712-R785 PolarHBondContact OG1-NE 3.1Å
713	I	94.8	Very high	88.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-46.5	174.8	-68.5	168.7	0	0	0	111.2	D709 I710 S715 M716 L717 H748 L752 I809 I813	D709-I713 WeakPolarHBondContact O-CG1 3.4Å; D709-I713 PolarHBondContact O-N 3.29Å; I710-I713 HydrophobicContact CD1-CD1 4.45Å; I710-I713 PolarHBondContact O-N 2.87Å; I713-S715 VanDerWaalsContact C-N 3.32Å; I713-S715 PolarHBondContact O-N 3.46Å; I713-M716 PolarHBondContact O-N 3.28Å; I713-L717 HydrophobicContact CG2-CD1 3.86Å; I713-L717 HydrophobicContact CG2-CG 4.21Å; I713-L717 WeakPolarHBondContact O-CB 3.39Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.31Å; I713-L717 PolarHBondContact O-N 2.93Å; I713-H748 HydrophobicContact CD1-CB 4.49Å; I713-H748 HydrophobicContact CG2-CB 4.07Å; I713-L752 HydrophobicContact CD1-CB 4.3Å; I713-L752 HydrophobicContact CD1-CD2 4.32Å; I713-L752 HydrophobicContact CG1-CB 3.93Å; I713-L752 HydrophobicContact CG1-CD1 4.41Å; I713-I809 HydrophobicContact CD1-CG2 3.57Å; I713-I813 HydrophobicContact CD1-CD1 4.32Å
714	A	93.5	Very high	88.5	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-41.3	179	0	0	0	0	0	112.6	L694 M697 I698 I710 I711 T712 S718 F788	L694-A714 HydrophobicContact CD2-CB 3.38Å; M697-A714 HydrophobicContact CE-CB 3.87Å; I698-A714 HydrophobicContact CD1-CB 4.02Å; I698-A714 HydrophobicContact CG1-CB 4.2Å; I710-A714 VanDerWaalsContact O-CB 3.28Å; I710-A714 WeakPolarHBondContact O-CB 3.42Å; I710-A714 PolarHBondContact O-N 3.11Å; I711-A714 PolarHBondContact O-N 3.02Å; T712-A714 PolarHBondContact O-N 3.31Å; A714-S718 PolarHBondContact O-N 2.91Å; A714-S718 VanDerWaalsContact O-N 3.16Å; A714-S718 PolarHBondContact O-OG 3.15Å; A714-F788 HydrophobicContact CB-CD2 4.32Å; A714-F788 HydrophobicContact CB-CE2 3.99Å
715	S	92.2	Very high	88.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-41.1	176.4	73.9	0	0	0	0	111.9	I711 T712 I713 S718 A781	I711-S715 WeakPolarHBondContact O-CB 3.42Å; I711-S715 PolarHBondContact O-N 3.49Å; I711-S715 PolarHBondContact O-OG 3.4Å; T712-S715 PolarHBondContact O-N 3.14Å; T712-S715 PolarHBondContact O-OG 2.76Å; I713-S715 VanDerWaalsContact C-N 3.32Å; I713-S715 PolarHBondContact O-N 3.46Å; S715-S718 WeakPolarHBondContact O-CB 3.36Å; S715-S718 PolarHBondContact O-N 3.32Å; S715-A781 WeakPolarHBondContact CB-O 3.39Å
716	M	92.9	Very high	87.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-42	178.2	-69	-66.2	-82.1	0	0	112	T712 I713 S718 V719 N720 I723 L751 V754 Y755 M778 A781	T712-M716 VanDerWaalsContact O-CG 3.3Å; T712-M716 WeakPolarHBondContact O-CG 3.43Å; T712-M716 PolarHBondContact O-N 2.93Å; I713-M716 PolarHBondContact O-N 3.28Å; M716-S718 PolarHBondContact O-N 2.97Å; M716-V719 PolarHBondContact O-N 3.35Å; M716-V719 VanDerWaalsContact O-N 3.14Å; M716-N720 WeakPolarHBondContact O-CA 3.26Å; M716-N720 PolarHBondContact O-N 2.97Å; M716-I723 HydrophobicContact CE-CD1 3.7Å; M716-I723 HydrophobicContact CE-CG2 4.46Å; M716-I723 HydrophobicContact SD-CD1 4.26Å; M716-L751 HydrophobicContact CB-CB 4.02Å; M716-L751 HydrophobicContact CB-CD1 4.3Å; M716-L751 HydrophobicContact CE-CD2 4.4Å; M716-L751 WeakPolarHBondContact CE-O 3.21Å; M716-V754 HydrophobicContact CE-CB 4.2Å; M716-V754 HydrophobicContact CE-CG1 3.83Å; M716-Y755 HydrophobicContact CG-CD2 4.37Å; M716-Y755 HydrophobicContact SD-CD2 3.87Å; M716-M778 HydrophobicContact CE-CE 3.83Å; M716-M778 HydrophobicContact CE-SD 3.74Å; M716-M778 HydrophobicContact SD-CE 3.94Å; M716-M778 HydrophobicContact SD-SD 4.01Å; M716-A781 HydrophobicContact SD-CB 3.77Å
717	L	91.6	Very high	86.9	Confident	12 Å²	12	24.2 Å²	24.2	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-37.1	174.1	-74.2	172.4	0	0	0	111.7	M697 I713 V719 N720 L751 Q869	M697-L717 HydrophobicContact CE-CD1 4.43Å; I713-L717 HydrophobicContact CG2-CD1 3.86Å; I713-L717 HydrophobicContact CG2-CG 4.21Å; I713-L717 WeakPolarHBondContact O-CB 3.39Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.31Å; I713-L717 PolarHBondContact O-N 2.93Å; L717-V719 PolarHBondContact O-N 3.11Å; L717-N720 WeakPolarHBondContact O-CB 3.49Å; L717-N720 PolarHBondContact O-N 3.29Å; L717-L751 HydrophobicContact CD2-CD1 3.87Å; L717-L751 HydrophobicContact CG-CD1 4.33Å; L717-Q869 HydrophobicContact CD2-CB 4.07Å; L717-Q869 HydrophobicContact CD2-CG 3.85Å
718	S	84.7	Confident	86.1	Confident	47 Å²	47	30.6 Å²	30.6	33%	0.329	15%	0.154	S	C	.	.	H	α-helix	trans	-66.6	-19.8	179.8	-59.3	0	0	0	0	114	A714 S715 M716	A714-S718 PolarHBondContact O-N 2.91Å; A714-S718 VanDerWaalsContact O-N 3.16Å; A714-S718 PolarHBondContact O-OG 3.15Å; S715-S718 WeakPolarHBondContact O-CB 3.36Å; S715-S718 PolarHBondContact O-N 3.32Å; M716-S718 PolarHBondContact O-N 2.97Å
719	V	82.1	Confident	85.4	Confident	22 Å²	22	38.2 Å²	38.2	13%	0.133	19%	0.194	C	C	.	.	H	α-helix	trans	-121	9.7	179.9	-60.9	0	0	0	0	113.8	M716 L717 N721 A722 I723 T777 R780 A781 I784	M716-V719 PolarHBondContact O-N 3.35Å; M716-V719 VanDerWaalsContact O-N 3.14Å; L717-V719 PolarHBondContact O-N 3.11Å; V719-N721 VanDerWaalsContact C-N 3.31Å; V719-N721 PolarHBondContact O-N 2.81Å; V719-N721 VanDerWaalsContact O-N 3.13Å; V719-A722 PolarHBondContact O-N 3.38Å; V719-I723 HydrophobicContact CG2-CD1 4.24Å; V719-I723 HydrophobicContact CG2-CG1 4.18Å; V719-T777 HydrophobicContact CB-CG2 3.73Å; V719-T777 HydrophobicContact CG2-CG2 3.84Å; V719-R780 HydrophobicContact CG1-CB 4.36Å; V719-A781 HydrophobicContact CG2-CB 3.76Å; V719-I784 HydrophobicContact CG1-CD1 3.58Å
720	N	77.1	Confident	84.9	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.1	-37.2	-164.8	-177.9	32.8	0	0	0	115.2	M716 L717 A722 I723 Q869	M716-N720 WeakPolarHBondContact O-CA 3.26Å; M716-N720 PolarHBondContact O-N 2.97Å; L717-N720 WeakPolarHBondContact O-CB 3.49Å; L717-N720 PolarHBondContact O-N 3.29Å; N720-A722 PolarHBondContact O-N 3.15Å; N720-I723 HydrophobicContact CB-CD1 4.47Å; N720-I723 PolarHBondContact O-N 2.96Å; N720-Q869 VanDerWaalsContact ND2-CG 3.29Å; N720-Q869 WeakPolarHBondContact ND2-CG 3.24Å; N720-Q869 PolarHBondContact ND2-NE2 3.22Å
721	N	71.5	Confident	84.2	Confident	130 Å²	130	45.9 Å²	45.9	70%	0.695	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-60.4	-16.3	-175.9	-68.9	-28.2	0	0	0	114.3	V719	V719-N721 VanDerWaalsContact C-N 3.31Å; V719-N721 PolarHBondContact O-N 2.81Å; V719-N721 VanDerWaalsContact O-N 3.13Å
722	A	73.1	Confident	83.9	Confident	27 Å²	27	52.2 Å²	52.2	22%	0.223	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-126	13.7	-175.5	0	0	0	0	0	114.2	V719 N720 Q774 T777	V719-A722 PolarHBondContact O-N 3.38Å; N720-A722 PolarHBondContact O-N 3.15Å; A722-Q774 WeakPolarHBondContact O-CB 3.46Å; A722-Q774 WeakPolarHBondContact O-CG 3.46Å; A722-Q774 PolarHBondContact O-OE1 2.73Å; A722-Q774 VanDerWaalsContact O-OE1 3.1Å; A722-T777 HydrophobicContact CB-CG2 4.1Å; A722-T777 PolarHBondContact O-OG1 3.3Å; A722-T777 VanDerWaalsContact O-OG1 3.08Å
723	I	83.7	Confident	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-72.9	-53.5	-176.9	-63.1	175.2	0	0	0	110.8	M716 V719 N720 L751 I773 Q774 T777 M778	M716-I723 HydrophobicContact CE-CD1 3.7Å; M716-I723 HydrophobicContact CE-CG2 4.46Å; M716-I723 HydrophobicContact SD-CD1 4.26Å; V719-I723 HydrophobicContact CG2-CD1 4.24Å; V719-I723 HydrophobicContact CG2-CG1 4.18Å; N720-I723 HydrophobicContact CB-CD1 4.47Å; N720-I723 PolarHBondContact O-N 2.96Å; I723-L751 HydrophobicContact CD1-CD2 3.78Å; I723-I773 HydrophobicContact CG2-CG2 4.18Å; I723-I773 CarbonylContact O-C 3.51Å; I723-I773 WeakPolarHBondContact O-CA 3.43Å; I723-Q774 PolarHBondContact O-N 2.83Å; I723-T777 HydrophobicContact CG1-CG2 3.99Å; I723-M778 HydrophobicContact CG2-SD 4.23Å
724	F	85.7	Confident	83	Confident	32 Å²	32	58.2 Å²	58.2	14%	0.14	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-94	126.2	-176.4	-56.2	-85	0	0	0	109.6	R738 M750 L751 V754 I773	F724-R738 HydrophobicContact CD1-CG 4.2Å; F724-R738 HydrophobicContact CE1-CG 4.2Å; F724-R738 VanDerWaalsContact CG-NH1 3.25Å; F724-M750 HydrophobicContact CE1-CE 3.71Å; F724-M750 HydrophobicContact CE2-CE 4.07Å; F724-M750 HydrophobicContact CZ-CE 3.32Å; F724-M750 HydrophobicContact CZ-SD 4.36Å; F724-L751 HydrophobicContact CE2-CD2 4.17Å; F724-V754 HydrophobicContact CE1-CG2 4.19Å; F724-V754 HydrophobicContact CZ-CG2 4Å; F724-I773 HydrophobicContact CD1-CG1 4.45Å
725	Y	81.4	Confident	82.7	Confident	54 Å²	54	60.6 Å²	60.6	21%	0.212	30%	0.304	C	S	.	.			trans	-107.3	142.8	171.3	75.1	-86.8	0	0	0	110	P727 Y769 F772 Q774	Y725-P727 HydrophobicContact CD2-CG 3.55Å; Y725-P727 HydrophobicContact CE2-CG 3.41Å; Y725-P727 VanDerWaalsContact CE2-CG 3.41Å; Y725-Y769 PolarHBondContact OH-O 3.06Å; Y725-F772 WeakPolarHBondContact CD1-O 3.44Å; Y725-F772 HydrophobicContact CE1-CB 4.2Å; Y725-F772 AromaticContact CE2-CD1 3.91Å; Y725-F772 HydrophobicContact CE2-CD1 3.91Å; Y725-F772 AromaticContact CZ-CD1 3.95Å; Y725-F772 PolarHBondContact N-O 2.98Å; Y725-Q774 HydrophobicContact CD1-CG 3.86Å; Y725-Q774 HydrophobicContact CG-CG 4.28Å
726	R	81.9	Confident	82.5	Confident	116 Å²	116	64.7 Å²	64.7	44%	0.438	33%	0.33	S	S	.	.			trans	-126.1	86.8	-175	-67.5	175.8	88.9	-140.1	13.4	109.3	L731 A734 D735	R726-L731 HydrophobicContact CB-CD2 4.11Å; R726-A734 HydrophobicContact CG-CB 4.23Å; R726-D735 IonicContact CZ-OD1 3.99Å; R726-D735 IonicContact CZ-OD2 2.74Å; R726-D735 IonicContact NE-OD1 3.6Å; R726-D735 PolarHBondContact NE-OD1 3.25Å; R726-D735 IonicContact NH2-OD1 2.76Å; R726-D735 PolarHBondContact NH2-OD1 3.01Å; R726-D735 IonicContact NH2-OD2 3.59Å; R726-D735 PolarHBondContact NH2-OD2 3.46Å
727	P	75.1	Confident	82.2	Confident	41 Å²	41	65.2 Å²	65.2	27%	0.266	33%	0.334	S	S	.	.			trans	-61.8	137.9	176.5	-19.7	32.3	0	0	0	110.8	Y725 D729 K730 L731 F772	Y725-P727 HydrophobicContact CD2-CG 3.55Å; Y725-P727 HydrophobicContact CE2-CG 3.41Å; Y725-P727 VanDerWaalsContact CE2-CG 3.41Å; P727-D729 PolarHBondContact O-N 3.09Å; P727-K730 HydrophobicContact CB-CB 4.4Å; P727-K730 CarbonylContact O-C 3.54Å; P727-K730 PolarHBondContact O-N 3.19Å; P727-L731 PolarHBondContact O-N 3.45Å; P727-F772 HydrophobicContact CG-CD1 4.15Å; P727-F772 HydrophobicContact CG-CE1 4.2Å
728	K	75	Confident	82	Confident	136 Å²	136	66.7 Å²	66.7	59%	0.591	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-54.4	-38	179.5	-70.5	-178.6	175.7	174.4	0	112.4	E496 K730 L731	E496-K728 IonicContact OE1-NZ 2.77Å; E496-K728 PolarHBondContact OE1-NZ 2.86Å; E496-K728 IonicContact OE2-NZ 2.77Å; E496-K728 PolarHBondContact OE2-NZ 3.45Å; K728-K730 VanDerWaalsContact C-N 3.34Å; K728-K730 PolarHBondContact O-N 3.1Å; K728-L731 WeakPolarHBondContact O-CG 3.36Å
729	D	79.1	Confident	82	Confident	159 Å²	159	70.9 Å²	70.9	85%	0.85	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-77.9	-16	-177.7	-51.6	-29.5	0	0	0	113.8	P727	P727-D729 PolarHBondContact O-N 3.09Å
730	K	83.6	Confident	82.3	Confident	90 Å²	90	73.6 Å²	73.6	39%	0.391	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-128.5	27	-173.3	-64	-174.3	-179.1	-179.7	0	113.2	P727 K728 I732 H733 A734 F772	P727-K730 HydrophobicContact CB-CB 4.4Å; P727-K730 CarbonylContact O-C 3.54Å; P727-K730 PolarHBondContact O-N 3.19Å; K728-K730 VanDerWaalsContact C-N 3.34Å; K728-K730 PolarHBondContact O-N 3.1Å; K730-I732 PolarHBondContact O-N 3.44Å; K730-H733 PolarHBondContact O-N 3.26Å; K730-H733 VanDerWaalsContact O-N 3.16Å; K730-A734 PolarHBondContact O-N 2.94Å; K730-F772 HydrophobicContact CB-CE1 3.71Å; K730-F772 HydrophobicContact CB-CZ 3.93Å; K730-F772 HydrophobicContact CD-CE1 3.86Å; K730-F772 HydrophobicContact CD-CZ 3.94Å; K730-F772 HydrophobicContact CG-CE1 4.45Å
731	L	81.1	Confident	82.9	Confident	74 Å²	74	72.7 Å²	72.7	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-52.5	-48.2	-175.7	-72.1	168.2	0	0	0	113.3	R726 P727 K728 H733 A734 D735	R726-L731 HydrophobicContact CB-CD2 4.11Å; P727-L731 PolarHBondContact O-N 3.45Å; K728-L731 WeakPolarHBondContact O-CG 3.36Å; L731-H733 VanDerWaalsContact C-N 3.34Å; L731-H733 PolarHBondContact O-N 3.19Å; L731-A734 PolarHBondContact O-N 2.88Å; L731-D735 WeakPolarHBondContact O-CB 3.48Å; L731-D735 VanDerWaalsContact O-CG 3.25Å; L731-D735 PolarHBondContact O-N 3.45Å
732	I	87.8	Confident	83.5	Confident	133 Å²	133	69.4 Å²	69.4	68%	0.682	35%	0.353	S	S	*	.	H	α-helix	trans	-63.8	-40.5	-177.9	-58.9	173	0	0	0	111.3	K730 D735 T736	K730-I732 PolarHBondContact O-N 3.44Å; I732-D735 PolarHBondContact O-N 3.2Å; I732-T736 WeakPolarHBondContact O-CB 3.28Å; I732-T736 PolarHBondContact O-N 3.16Å; I732-T736 PolarHBondContact O-OG1 3.45Å
733	H	86.4	Confident	84.2	Confident	124 Å²	124	70.7 Å²	70.7	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-67.9	-43.8	178.2	-65.2	-64.3	0	0	0	111.5	K730 L731 D735 T736 A737 F772	K730-H733 PolarHBondContact O-N 3.26Å; K730-H733 VanDerWaalsContact O-N 3.16Å; L731-H733 VanDerWaalsContact C-N 3.34Å; L731-H733 PolarHBondContact O-N 3.19Å; H733-D735 VanDerWaalsContact C-N 3.28Å; H733-D735 PolarHBondContact O-N 3.47Å; H733-T736 PolarHBondContact O-N 3.45Å; H733-A737 WeakPolarHBondContact O-CB 3.47Å; H733-A737 PolarHBondContact O-N 3Å; H733-F772 HydrophobicContact CB-CE2 3.72Å; H733-F772 HydrophobicContact CB-CZ 3.66Å
734	A	84.6	Confident	84.4	Confident	5 Å²	5	76.3 Å²	76.3	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-60.7	-39	175.8	0	0	0	0	0	111.9	R726 K730 L731 R738 F772	R726-A734 HydrophobicContact CG-CB 4.23Å; K730-A734 PolarHBondContact O-N 2.94Å; L731-A734 PolarHBondContact O-N 2.88Å; A734-R738 WeakPolarHBondContact O-CB 3.2Å; A734-R738 PolarHBondContact O-N 3.33Å; A734-F772 HydrophobicContact CB-CB 4.04Å; A734-F772 HydrophobicContact CB-CD1 3.82Å; A734-F772 HydrophobicContact CB-CD2 4.12Å; A734-F772 HydrophobicContact CB-CE1 4.27Å; A734-F772 HydrophobicContact CB-CG 3.72Å
735	D	85.9	Confident	84.4	Confident	50 Å²	50	75.1 Å²	75.1	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-71.3	-37.3	177.7	-71.7	-12.2	0	0	0	113	R726 L731 I732 H733 R738 K739	R726-D735 IonicContact CZ-OD1 3.99Å; R726-D735 IonicContact CZ-OD2 2.74Å; R726-D735 IonicContact NE-OD1 3.6Å; R726-D735 PolarHBondContact NE-OD1 3.25Å; R726-D735 IonicContact NH2-OD1 2.76Å; R726-D735 PolarHBondContact NH2-OD1 3.01Å; R726-D735 IonicContact NH2-OD2 3.59Å; R726-D735 PolarHBondContact NH2-OD2 3.46Å; L731-D735 WeakPolarHBondContact O-CB 3.48Å; L731-D735 VanDerWaalsContact O-CG 3.25Å; L731-D735 PolarHBondContact O-N 3.45Å; I732-D735 PolarHBondContact O-N 3.2Å; H733-D735 VanDerWaalsContact C-N 3.28Å; H733-D735 PolarHBondContact O-N 3.47Å; D735-R738 PolarHBondContact O-N 3.43Å; D735-K739 WeakPolarHBondContact O-CB 3.31Å; D735-K739 VanDerWaalsContact O-CG 3.31Å; D735-K739 WeakPolarHBondContact O-CG 3.14Å; D735-K739 PolarHBondContact O-N 2.99Å
736	T	88.4	Confident	84.9	Confident	87 Å²	87	72.5 Å²	72.5	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-44.9	176	-55.1	0	0	0	0	110.5	I732 H733 K739 S740	I732-T736 WeakPolarHBondContact O-CB 3.28Å; I732-T736 PolarHBondContact O-N 3.16Å; I732-T736 PolarHBondContact O-OG1 3.45Å; H733-T736 PolarHBondContact O-N 3.45Å; T736-K739 PolarHBondContact O-N 3.01Å; T736-S740 PolarHBondContact O-N 2.67Å
737	A	86.9	Confident	85.4	Confident	10 Å²	10	67 Å²	67	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-42.6	173.8	0	0	0	0	0	111.5	H733 K739 S740 F741 F772	H733-A737 WeakPolarHBondContact O-CB 3.47Å; H733-A737 PolarHBondContact O-N 3Å; A737-K739 VanDerWaalsContact C-N 3.34Å; A737-K739 PolarHBondContact O-N 3.25Å; A737-S740 PolarHBondContact O-N 3.12Å; A737-S740 PolarHBondContact O-OG 3.24Å; A737-F741 WeakPolarHBondContact O-CD2 3.14Å; A737-F741 VanDerWaalsContact O-CE2 3.31Å; A737-F741 WeakPolarHBondContact O-CE2 3.12Å; A737-F772 HydrophobicContact CB-CD2 3.98Å
738	R	86.5	Confident	86.3	Confident	43 Å²	43	65 Å²	65	16%	0.162	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-44.2	174.1	-169.4	-176.7	173.8	104.7	1.7	111.5	F724 A734 D735 S740 F741 S742 M750 N843	F724-R738 HydrophobicContact CD1-CG 4.2Å; F724-R738 HydrophobicContact CE1-CG 4.2Å; F724-R738 VanDerWaalsContact CG-NH1 3.25Å; A734-R738 WeakPolarHBondContact O-CB 3.2Å; A734-R738 PolarHBondContact O-N 3.33Å; D735-R738 PolarHBondContact O-N 3.43Å; R738-S740 VanDerWaalsContact C-N 3.29Å; R738-S740 PolarHBondContact O-N 3.23Å; R738-F741 PolarHBondContact O-N 3.41Å; R738-S742 PolarHBondContact O-N 3.46Å; R738-M750 HydrophobicContact CB-CE 4.5Å; R738-M750 HydrophobicContact CG-CE 3.35Å; R738-M750 WeakPolarHBondContact O-CE 3.38Å; R738-N843 PolarHBondContact NH2-O 3.07Å
739	K	86	Confident	87.2	Confident	136 Å²	136	58.6 Å²	58.6	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-30.7	178.3	-77.5	-177.4	-179.8	-166.3	0	112.7	D735 T736 A737 F741 S742	D735-K739 WeakPolarHBondContact O-CB 3.31Å; D735-K739 VanDerWaalsContact O-CG 3.31Å; D735-K739 WeakPolarHBondContact O-CG 3.14Å; D735-K739 PolarHBondContact O-N 2.99Å; T736-K739 PolarHBondContact O-N 3.01Å; A737-K739 VanDerWaalsContact C-N 3.34Å; A737-K739 PolarHBondContact O-N 3.25Å; K739-F741 PolarHBondContact O-N 3.21Å; K739-S742 VanDerWaalsContact O-CB 3.28Å; K739-S742 WeakPolarHBondContact O-CB 3.12Å; K739-S742 PolarHBondContact O-N 2.82Å; K739-S742 PolarHBondContact O-OG 3Å
740	S	87.7	Confident	87.8	Confident	78 Å²	78	51.1 Å²	51.1	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-23.2	176	57.7	0	0	0	0	113.6	T736 A737 R738	T736-S740 PolarHBondContact O-N 2.67Å; A737-S740 PolarHBondContact O-N 3.12Å; A737-S740 PolarHBondContact O-OG 3.24Å; R738-S740 VanDerWaalsContact C-N 3.29Å; R738-S740 PolarHBondContact O-N 3.23Å
741	F	88.5	Confident	88.3	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.2	172.3	-59.8	-72.2	0	0	0	113.6	A737 R738 K739 H743 M750 V754 W767 Q771 I773	A737-F741 WeakPolarHBondContact O-CD2 3.14Å; A737-F741 VanDerWaalsContact O-CE2 3.31Å; A737-F741 WeakPolarHBondContact O-CE2 3.12Å; R738-F741 PolarHBondContact O-N 3.41Å; K739-F741 PolarHBondContact O-N 3.21Å; F741-H743 PolarHBondContact O-N 3.19Å; F741-M750 HydrophobicContact CB-CE 4.04Å; F741-M750 HydrophobicContact CB-CG 3.78Å; F741-M750 WeakPolarHBondContact O-CA 3.29Å; F741-M750 WeakPolarHBondContact O-CB 3.47Å; F741-M750 VanDerWaalsContact O-CG 3.31Å; F741-M750 WeakPolarHBondContact O-CG 3.49Å; F741-V754 HydrophobicContact CB-CG2 3.83Å; F741-V754 HydrophobicContact CD1-CB 4.46Å; F741-V754 HydrophobicContact CD1-CG2 3.6Å; F741-V754 HydrophobicContact CD2-CG2 3.95Å; F741-V754 HydrophobicContact CE1-CG2 4.1Å; F741-V754 HydrophobicContact CE2-CG2 4.45Å; F741-V754 HydrophobicContact CG-CG2 3.51Å; F741-W767 AromaticContact CE1-CH2 3.95Å; F741-W767 HydrophobicContact CE1-CH2 3.95Å; F741-W767 AromaticContact CE1-CZ2 3.82Å; F741-W767 HydrophobicContact CE1-CZ2 3.82Å; F741-W767 AromaticContact CZ-CH2 3.81Å; F741-W767 HydrophobicContact CZ-CH2 3.81Å; F741-W767 AromaticContact CZ-CZ2 3.75Å; F741-W767 HydrophobicContact CZ-CZ2 3.75Å; F741-Q771 HydrophobicContact CE2-CB 4.13Å; F741-Q771 HydrophobicContact CE2-CG 4.45Å; F741-Q771 HydrophobicContact CZ-CB 4Å; F741-Q771 HydrophobicContact CZ-CG 3.95Å; F741-I773 HydrophobicContact CE2-CD1 4.14Å; F741-I773 HydrophobicContact CZ-CD1 4.08Å
742	S	86	Confident	88.9	Confident	61 Å²	61	43.4 Å²	43.4	43%	0.427	24%	0.236	S	C	.	.			trans	-60.5	139.9	-175.4	71.3	0	0	0	0	110.8	R738 K739	R738-S742 PolarHBondContact O-N 3.46Å; K739-S742 VanDerWaalsContact O-CB 3.28Å; K739-S742 WeakPolarHBondContact O-CB 3.12Å; K739-S742 PolarHBondContact O-N 2.82Å; K739-S742 PolarHBondContact O-OG 3Å
743	H	87.8	Confident	89.1	Confident	53 Å²	53	39 Å²	39	25%	0.245	21%	0.214	C	C	.	.			trans	-129.5	140.3	-178.9	-169.7	-94.5	0	0	0	110	F741 A745 G746 I749 H806	F741-H743 PolarHBondContact O-N 3.19Å; H743-A745 WeakPolarHBondContact ND1-CB 3.32Å; H743-A745 PolarHBondContact ND1-N 3.21Å; H743-A745 PolarHBondContact O-N 3.18Å; H743-G746 PolarHBondContact O-N 3.45Å; H743-I749 HydrophobicContact CB-CB 4.19Å; H743-I749 HydrophobicContact CB-CG2 3.97Å; H743-H806 AromaticContact CE1-CD2 3.8Å; H743-H806 AromaticContact CE1-NE2 3.98Å; H743-H806 AromaticContact NE2-CD2 3.97Å; H743-H806 AromaticContact NE2-NE2 3.75Å
744	V	86.4	Confident	89.4	Confident	118 Å²	118	33.1 Å²	33.1	72%	0.715	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.7	-176.4	-176.1	0	0	0	0	111.8	G746 L846	V744-G746 VanDerWaalsContact C-N 3.32Å; V744-G746 PolarHBondContact O-N 3.41Å; V744-L846 WeakPolarHBondContact O-CD2 3.06Å
745	A	87.2	Confident	89.8	Confident	7 Å²	7	33.2 Å²	33.2	6%	0.058	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.2	177.4	0	0	0	0	0	113.6	H743 I749 I871 E872	H743-A745 WeakPolarHBondContact ND1-CB 3.32Å; H743-A745 PolarHBondContact ND1-N 3.21Å; H743-A745 PolarHBondContact O-N 3.18Å; A745-I749 HydrophobicContact CB-CG1 4.06Å; A745-I871 WeakPolarHBondContact O-CG1 3.45Å; A745-E872 PolarHBondContact O-N 3.27Å
746	G	91.9	Very high	90.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	131.8	-174.9	177.8	0	0	0	0	0	115.9	H743 V744 H748 I749 M750 I870	H743-G746 PolarHBondContact O-N 3.45Å; V744-G746 VanDerWaalsContact C-N 3.32Å; V744-G746 PolarHBondContact O-N 3.41Å; G746-H748 PolarHBondContact O-N 2.91Å; G746-I749 PolarHBondContact O-N 3.45Å; G746-M750 PolarHBondContact O-N 3.18Å; G746-I870 CarbonylContact C-O 3.55Å; G746-I870 WeakPolarHBondContact CA-O 3.38Å
747	D	92.2	Very high	90.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-32.1	-167	-61.8	-31.2	0	0	0	113.6	I749 M750 L751 S844 C845 Q869 I870	D747-I749 VanDerWaalsContact C-N 3.3Å; D747-I749 PolarHBondContact O-N 3.44Å; D747-M750 WeakPolarHBondContact O-CB 3.38Å; D747-M750 PolarHBondContact O-N 3.43Å; D747-L751 WeakPolarHBondContact O-CG 3.14Å; D747-L751 PolarHBondContact O-N 3.36Å; D747-S844 VanDerWaalsContact CG-OG 3.27Å; D747-S844 WeakPolarHBondContact OD1-CA 3.37Å; D747-S844 PolarHBondContact OD1-OG 2.76Å; D747-S844 VanDerWaalsContact OD2-CB 3.28Å; D747-S844 WeakPolarHBondContact OD2-CB 3.48Å; D747-S844 PolarHBondContact OD2-OG 2.9Å; D747-C845 WeakPolarHBondContact OD1-CB 3.36Å; D747-C845 PolarHBondContact OD1-N 2.97Å; D747-C845 PolarHBondContact OD1-SG 3.11Å; D747-Q869 HydrophobicContact CB-CB 4.39Å; D747-Q869 VanDerWaalsContact CB-OE1 3.27Å; D747-Q869 VanDerWaalsContact OD2-CA 3.28Å; D747-Q869 WeakPolarHBondContact OD2-CA 3.41Å; D747-I870 PolarHBondContact N-O 3.13Å; D747-I870 PolarHBondContact OD2-N 2.9Å
748	H	93.5	Very high	90.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-36.8	179.9	-58.1	72.6	0	0	0	111.5	I713 G746 L751 L752 I813 Q869 I871	I713-H748 HydrophobicContact CD1-CB 4.49Å; I713-H748 HydrophobicContact CG2-CB 4.07Å; G746-H748 PolarHBondContact O-N 2.91Å; H748-L751 PolarHBondContact O-N 2.99Å; H748-L752 PolarHBondContact O-N 3.48Å; H748-I813 HydrophobicContact CB-CD1 3.8Å; H748-Q869 PolarHBondContact CE1-O 2.86Å; H748-I871 HydrophobicContact CB-CD1 4.01Å
749	I	93.6	Very high	90.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-73.3	-35.6	176	-56.3	-56.7	0	0	0	110.4	H743 A745 G746 D747 L751 L752 N753 I809 I871	H743-I749 HydrophobicContact CB-CB 4.19Å; H743-I749 HydrophobicContact CB-CG2 3.97Å; A745-I749 HydrophobicContact CB-CG1 4.06Å; G746-I749 PolarHBondContact O-N 3.45Å; D747-I749 VanDerWaalsContact C-N 3.3Å; D747-I749 PolarHBondContact O-N 3.44Å; I749-L751 VanDerWaalsContact C-N 3.32Å; I749-L751 PolarHBondContact O-N 2.93Å; I749-L752 WeakPolarHBondContact O-CB 3.45Å; I749-L752 PolarHBondContact O-N 3.45Å; I749-N753 WeakPolarHBondContact O-CB 3.34Å; I749-N753 PolarHBondContact O-N 3.18Å; I749-N753 PolarHBondContact O-OD1 2.9Å; I749-I809 HydrophobicContact CD1-CB 4.39Å; I749-I809 HydrophobicContact CD1-CD1 4.45Å; I749-I809 HydrophobicContact CD1-CG2 3.77Å; I749-I871 HydrophobicContact CG1-CD1 4.46Å
750	M	92.3	Very high	91.2	Very high	3 Å²	3	32 Å²	32	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-46.9	169.8	175.7	-158.7	-177.8	0	0	111.1	F724 R738 F741 G746 D747 L752 N753 V754 C845	F724-M750 HydrophobicContact CE1-CE 3.71Å; F724-M750 HydrophobicContact CE2-CE 4.07Å; F724-M750 HydrophobicContact CZ-CE 3.32Å; F724-M750 HydrophobicContact CZ-SD 4.36Å; R738-M750 HydrophobicContact CB-CE 4.5Å; R738-M750 HydrophobicContact CG-CE 3.35Å; R738-M750 WeakPolarHBondContact O-CE 3.38Å; F741-M750 HydrophobicContact CB-CE 4.04Å; F741-M750 HydrophobicContact CB-CG 3.78Å; F741-M750 WeakPolarHBondContact O-CA 3.29Å; F741-M750 WeakPolarHBondContact O-CB 3.47Å; F741-M750 VanDerWaalsContact O-CG 3.31Å; F741-M750 WeakPolarHBondContact O-CG 3.49Å; G746-M750 PolarHBondContact O-N 3.18Å; D747-M750 WeakPolarHBondContact O-CB 3.38Å; D747-M750 PolarHBondContact O-N 3.43Å; M750-L752 VanDerWaalsContact C-N 3.35Å; M750-L752 PolarHBondContact O-N 3Å; M750-N753 PolarHBondContact O-N 2.85Å; M750-V754 WeakPolarHBondContact O-CG2 3.4Å; M750-V754 PolarHBondContact O-N 3.28Å; M750-C845 PolarHBondContact SD-SG 3.23Å
751	L	93.1	Very high	91.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-38.7	177.3	-69.1	178.8	0	0	0	112.7	M716 L717 I723 F724 D747 H748 I749 V754 Y755	M716-L751 HydrophobicContact CB-CB 4.02Å; M716-L751 HydrophobicContact CB-CD1 4.3Å; M716-L751 HydrophobicContact CE-CD2 4.4Å; M716-L751 WeakPolarHBondContact CE-O 3.21Å; L717-L751 HydrophobicContact CD2-CD1 3.87Å; L717-L751 HydrophobicContact CG-CD1 4.33Å; I723-L751 HydrophobicContact CD1-CD2 3.78Å; F724-L751 HydrophobicContact CE2-CD2 4.17Å; D747-L751 WeakPolarHBondContact O-CG 3.14Å; D747-L751 PolarHBondContact O-N 3.36Å; H748-L751 PolarHBondContact O-N 2.99Å; I749-L751 VanDerWaalsContact C-N 3.32Å; I749-L751 PolarHBondContact O-N 2.93Å; L751-V754 PolarHBondContact O-N 3.41Å; L751-Y755 PolarHBondContact O-N 3.4Å
752	L	93.2	Very high	91.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-46.7	173.8	-179.6	61.5	0	0	0	111.4	D709 T712 I713 H748 I749 M750 V754 Y755 N756 I809	D709-L752 HydrophobicContact CB-CD1 4.29Å; D709-L752 HydrophobicContact CB-CD2 4.06Å; T712-L752 HydrophobicContact CG2-CD1 3.84Å; I713-L752 HydrophobicContact CD1-CB 4.3Å; I713-L752 HydrophobicContact CD1-CD2 4.32Å; I713-L752 HydrophobicContact CG1-CB 3.93Å; I713-L752 HydrophobicContact CG1-CD1 4.41Å; H748-L752 PolarHBondContact O-N 3.48Å; I749-L752 WeakPolarHBondContact O-CB 3.45Å; I749-L752 PolarHBondContact O-N 3.45Å; M750-L752 VanDerWaalsContact C-N 3.35Å; M750-L752 PolarHBondContact O-N 3Å; L752-V754 VanDerWaalsContact C-N 3.33Å; L752-V754 PolarHBondContact O-N 3.38Å; L752-Y755 PolarHBondContact O-N 3.49Å; L752-N756 WeakPolarHBondContact O-CB 3.46Å; L752-N756 PolarHBondContact O-N 2.83Å; L752-I809 HydrophobicContact CD2-CD1 3.94Å
753	N	92.4	Very high	91.6	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-41.3	178.8	-70.5	-12.3	0	0	0	111.8	I749 M750 Y755 N756 Q757	I749-N753 WeakPolarHBondContact O-CB 3.34Å; I749-N753 PolarHBondContact O-N 3.18Å; I749-N753 PolarHBondContact O-OD1 2.9Å; M750-N753 PolarHBondContact O-N 2.85Å; N753-Y755 VanDerWaalsContact C-N 3.33Å; N753-Y755 PolarHBondContact O-N 2.81Å; N753-N756 PolarHBondContact O-N 3.21Å; N753-Q757 WeakPolarHBondContact O-CB 3.47Å; N753-Q757 WeakPolarHBondContact O-CG 3.46Å; N753-Q757 PolarHBondContact O-N 3.26Å
754	V	92.8	Very high	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-47.2	174.7	167.7	0	0	0	0	111	M716 F724 F741 M750 L751 L752 W758 W767 I773 M778	M716-V754 HydrophobicContact CE-CB 4.2Å; M716-V754 HydrophobicContact CE-CG1 3.83Å; F724-V754 HydrophobicContact CE1-CG2 4.19Å; F724-V754 HydrophobicContact CZ-CG2 4Å; F741-V754 HydrophobicContact CB-CG2 3.83Å; F741-V754 HydrophobicContact CD1-CB 4.46Å; F741-V754 HydrophobicContact CD1-CG2 3.6Å; F741-V754 HydrophobicContact CD2-CG2 3.95Å; F741-V754 HydrophobicContact CE1-CG2 4.1Å; F741-V754 HydrophobicContact CE2-CG2 4.45Å; F741-V754 HydrophobicContact CG-CG2 3.51Å; M750-V754 WeakPolarHBondContact O-CG2 3.4Å; M750-V754 PolarHBondContact O-N 3.28Å; L751-V754 PolarHBondContact O-N 3.41Å; L752-V754 VanDerWaalsContact C-N 3.33Å; L752-V754 PolarHBondContact O-N 3.38Å; V754-W758 WeakPolarHBondContact O-CB 3.35Å; V754-W758 PolarHBondContact O-N 3.04Å; V754-W758 VanDerWaalsContact O-N 3.14Å; V754-W767 WeakPolarHBondContact O-CH2 3.21Å; V754-I773 HydrophobicContact CG1-CD1 3.66Å; V754-M778 HydrophobicContact CG1-CE 4.25Å; V754-M778 HydrophobicContact CG1-SD 4.35Å
755	Y	93.5	Very high	91.7	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-44.1	-180	-171.2	-85.6	0	0	0	112.2	T712 M716 L751 L752 N753 W758 A759 M778 R782 R785	T712-Y755 HydrophobicContact CG2-CD1 3.3Å; T712-Y755 HydrophobicContact CG2-CD2 4.13Å; T712-Y755 HydrophobicContact CG2-CE1 3.98Å; T712-Y755 HydrophobicContact CG2-CG 3.39Å; M716-Y755 HydrophobicContact CG-CD2 4.37Å; M716-Y755 HydrophobicContact SD-CD2 3.87Å; L751-Y755 PolarHBondContact O-N 3.4Å; L752-Y755 PolarHBondContact O-N 3.49Å; N753-Y755 VanDerWaalsContact C-N 3.33Å; N753-Y755 PolarHBondContact O-N 2.81Å; Y755-W758 HydrophobicContact CD2-CE3 4.37Å; Y755-W758 HydrophobicContact CE2-CE3 4.24Å; Y755-W758 HydrophobicContact CE2-CZ3 4.17Å; Y755-W758 WeakPolarHBondContact O-CB 3.35Å; Y755-W758 PolarHBondContact O-N 3.26Å; Y755-A759 HydrophobicContact CE1-CB 4.49Å; Y755-A759 WeakPolarHBondContact O-CB 3.48Å; Y755-A759 PolarHBondContact O-N 3.38Å; Y755-M778 HydrophobicContact CD2-CE 3.83Å; Y755-M778 HydrophobicContact CG-CE 4.5Å; Y755-R782 HydrophobicContact CE2-CB 4.44Å; Y755-R785 WeakPolarHBondContact OH-CD 3.16Å
756	N	92.6	Very high	91.8	Very high	41 Å²	41	38.8 Å²	38.8	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-44.7	-178.4	-72.1	-11.4	0	0	0	111.8	L752 N753 W758 A759 E760	L752-N756 WeakPolarHBondContact O-CB 3.46Å; L752-N756 PolarHBondContact O-N 2.83Å; N753-N756 PolarHBondContact O-N 3.21Å; N756-W758 VanDerWaalsContact C-N 3.29Å; N756-W758 PolarHBondContact O-N 3.22Å; N756-A759 WeakPolarHBondContact O-CB 3.46Å; N756-A759 PolarHBondContact O-N 2.64Å; N756-A759 VanDerWaalsContact O-N 3.14Å; N756-E760 WeakPolarHBondContact O-CG 3.14Å; N756-E760 PolarHBondContact O-N 2.94Å
757	Q	92.5	Very high	91.7	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-35.7	175.5	-69.9	-177.8	29.6	0	0	112	N753 E760 S761 W767	N753-Q757 WeakPolarHBondContact O-CB 3.47Å; N753-Q757 WeakPolarHBondContact O-CG 3.46Å; N753-Q757 PolarHBondContact O-N 3.26Å; Q757-E760 PolarHBondContact O-N 3.42Å; Q757-S761 PolarHBondContact O-N 2.84Å; Q757-W767 HydrophobicContact CB-CH2 4.18Å; Q757-W767 HydrophobicContact CB-CZ2 3.59Å
758	W	94	Very high	91.5	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-40.8	173.1	-175.7	48.5	0	0	0	112.1	V754 Y755 N756 S761 F763 S764 W767 C768 Y775 M778 R782	V754-W758 WeakPolarHBondContact O-CB 3.35Å; V754-W758 PolarHBondContact O-N 3.04Å; V754-W758 VanDerWaalsContact O-N 3.14Å; Y755-W758 HydrophobicContact CD2-CE3 4.37Å; Y755-W758 HydrophobicContact CE2-CE3 4.24Å; Y755-W758 HydrophobicContact CE2-CZ3 4.17Å; Y755-W758 WeakPolarHBondContact O-CB 3.35Å; Y755-W758 PolarHBondContact O-N 3.26Å; N756-W758 VanDerWaalsContact C-N 3.29Å; N756-W758 PolarHBondContact O-N 3.22Å; W758-S761 PolarHBondContact O-N 3.05Å; W758-S761 PolarHBondContact O-OG 3.38Å; W758-F763 AromaticContact CD2-CD1 3.84Å; W758-F763 HydrophobicContact CD2-CD1 3.84Å; W758-F763 AromaticContact CE2-CD1 3.99Å; W758-F763 AromaticContact CE3-CD1 3.56Å; W758-F763 HydrophobicContact CE3-CD1 3.56Å; W758-F763 HydrophobicContact CE3-CE1 4.07Å; W758-F763 HydrophobicContact CH2-CB 4.23Å; W758-F763 AromaticContact CH2-CD1 3.68Å; W758-F763 HydrophobicContact CH2-CD1 3.68Å; W758-F763 HydrophobicContact CH2-CG 4.4Å; W758-F763 HydrophobicContact CZ2-CB 3.75Å; W758-F763 AromaticContact CZ2-CD1 3.94Å; W758-F763 HydrophobicContact CZ2-CD1 3.94Å; W758-F763 HydrophobicContact CZ2-CG 4.35Å; W758-F763 AromaticContact CZ3-CD1 3.48Å; W758-F763 HydrophobicContact CZ3-CD1 3.48Å; W758-F763 VanDerWaalsContact CZ3-CD1 3.48Å; W758-F763 HydrophobicContact CZ3-CE1 4.02Å; W758-F763 VanDerWaalsContact NE1-C 3.29Å; W758-F763 PolarHBondContact NE1-O 3.38Å; W758-F763 WeakPolarHBondContact O-CA 3.35Å; W758-F763 PolarHBondContact O-N 3.16Å; W758-S764 PolarHBondContact NE1-O 3Å; W758-W767 HydrophobicContact CB-CE3 3.91Å; W758-W767 HydrophobicContact CB-CH2 3.99Å; W758-W767 HydrophobicContact CB-CZ3 3.51Å; W758-W767 AromaticContact CD1-CE3 3.48Å; W758-W767 VanDerWaalsContact CD1-CE3 3.48Å; W758-W767 AromaticContact CD1-CZ3 3.89Å; W758-W767 HydrophobicContact CG-CE3 4.01Å; W758-W767 AromaticContact CG-CZ3 3.95Å; W758-W767 HydrophobicContact CG-CZ3 3.95Å; W758-C768 VanDerWaalsContact CD1-SG 3.57Å; W758-C768 PolarHBondContact NE1-SG 3.33Å; W758-Y775 HydrophobicContact CZ2-CD2 4.04Å; W758-Y775 AromaticContact CZ2-CE2 3.83Å; W758-Y775 HydrophobicContact CZ2-CE2 3.83Å; W758-M778 HydrophobicContact CB-CE 4.24Å; W758-M778 HydrophobicContact CD2-CB 4.13Å; W758-M778 HydrophobicContact CD2-CE 3.93Å; W758-M778 HydrophobicContact CE3-CB 3.92Å; W758-M778 HydrophobicContact CE3-CE 3.44Å; W758-M778 VanDerWaalsContact CE3-CE 3.44Å; W758-M778 HydrophobicContact CG-CE 4.28Å; W758-M778 HydrophobicContact CH2-CB 3.69Å; W758-M778 HydrophobicContact CZ2-CB 3.91Å; W758-M778 HydrophobicContact CZ3-CB 3.69Å; W758-M778 HydrophobicContact CZ3-CE 4.1Å; W758-M778 WeakPolarHBondContact CZ3-O 3.37Å; W758-R782 HydrophobicContact CZ3-CB 4.32Å
759	A	92.2	Very high	91.1	Very high	29 Å²	29	47.5 Å²	47.5	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-39	175.9	0	0	0	0	0	112.2	Y755 N756 S761 D762 F763	Y755-A759 HydrophobicContact CE1-CB 4.49Å; Y755-A759 WeakPolarHBondContact O-CB 3.48Å; Y755-A759 PolarHBondContact O-N 3.38Å; N756-A759 WeakPolarHBondContact O-CB 3.46Å; N756-A759 PolarHBondContact O-N 2.64Å; N756-A759 VanDerWaalsContact O-N 3.14Å; A759-S761 VanDerWaalsContact C-N 3.26Å; A759-S761 PolarHBondContact O-N 3.49Å; A759-D762 PolarHBondContact O-N 3.01Å; A759-D762 VanDerWaalsContact O-N 3.15Å; A759-F763 HydrophobicContact CB-CE1 3.87Å; A759-F763 HydrophobicContact CB-CZ 3.97Å
760	E	92.4	Very high	90.8	Very high	153 Å²	153	52.5 Å²	52.5	72%	0.715	27%	0.266	S	S	*	.	H	α-helix	trans	-64.7	-29.3	173.2	-72.6	168.6	-168.8	0	0	112.6	N756 Q757 D762	N756-E760 WeakPolarHBondContact O-CG 3.14Å; N756-E760 PolarHBondContact O-N 2.94Å; Q757-E760 PolarHBondContact O-N 3.42Å; E760-D762 PolarHBondContact O-N 3.42Å
761	S	90.5	Very high	90.7	Very high	30 Å²	30	54.7 Å²	54.7	21%	0.21	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	17.5	172.7	77.3	0	0	0	0	114.1	Q757 W758 A759 F763 S764	Q757-S761 PolarHBondContact O-N 2.84Å; W758-S761 PolarHBondContact O-N 3.05Å; W758-S761 PolarHBondContact O-OG 3.38Å; A759-S761 VanDerWaalsContact C-N 3.26Å; A759-S761 PolarHBondContact O-N 3.49Å; S761-F763 PolarHBondContact O-N 2.99Å; S761-S764 WeakPolarHBondContact O-CB 3.1Å; S761-S764 PolarHBondContact O-N 2.76Å; S761-S764 VanDerWaalsContact O-N 3.1Å
762	D	90.3	Very high	90.5	Very high	147 Å²	147	55.6 Å²	55.6	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	36.5	-174.8	-69.3	-44.3	0	0	0	113.5	A759 E760 S764	A759-D762 PolarHBondContact O-N 3.01Å; A759-D762 VanDerWaalsContact O-N 3.15Å; E760-D762 PolarHBondContact O-N 3.42Å; D762-S764 PolarHBondContact O-N 3.3Å
763	F	89.7	Confident	90.3	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.241	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	33.2	-178.3	-51	-77.9	0	0	0	113.7	W758 A759 S761 S765	W758-F763 AromaticContact CD2-CD1 3.84Å; W758-F763 HydrophobicContact CD2-CD1 3.84Å; W758-F763 AromaticContact CE2-CD1 3.99Å; W758-F763 AromaticContact CE3-CD1 3.56Å; W758-F763 HydrophobicContact CE3-CD1 3.56Å; W758-F763 HydrophobicContact CE3-CE1 4.07Å; W758-F763 HydrophobicContact CH2-CB 4.23Å; W758-F763 AromaticContact CH2-CD1 3.68Å; W758-F763 HydrophobicContact CH2-CD1 3.68Å; W758-F763 HydrophobicContact CH2-CG 4.4Å; W758-F763 HydrophobicContact CZ2-CB 3.75Å; W758-F763 AromaticContact CZ2-CD1 3.94Å; W758-F763 HydrophobicContact CZ2-CD1 3.94Å; W758-F763 HydrophobicContact CZ2-CG 4.35Å; W758-F763 AromaticContact CZ3-CD1 3.48Å; W758-F763 HydrophobicContact CZ3-CD1 3.48Å; W758-F763 VanDerWaalsContact CZ3-CD1 3.48Å; W758-F763 HydrophobicContact CZ3-CE1 4.02Å; W758-F763 VanDerWaalsContact NE1-C 3.29Å; W758-F763 PolarHBondContact NE1-O 3.38Å; W758-F763 WeakPolarHBondContact O-CA 3.35Å; W758-F763 PolarHBondContact O-N 3.16Å; A759-F763 HydrophobicContact CB-CE1 3.87Å; A759-F763 HydrophobicContact CB-CZ 3.97Å; S761-F763 PolarHBondContact O-N 2.99Å; F763-S765 PolarHBondContact O-N 2.95Å
764	S	86.9	Confident	89.9	Confident	41 Å²	41	57.1 Å²	57.1	29%	0.287	29%	0.286	S	S	.	.			trans	-59.3	134.2	-177.9	177.2	0	0	0	0	112.6	W758 S761 D762 H766 W767	W758-S764 PolarHBondContact NE1-O 3Å; S761-S764 WeakPolarHBondContact O-CB 3.1Å; S761-S764 PolarHBondContact O-N 2.76Å; S761-S764 VanDerWaalsContact O-N 3.1Å; D762-S764 PolarHBondContact O-N 3.3Å; S764-H766 VanDerWaalsContact C-N 3.33Å; S764-H766 WeakPolarHBondContact OG-CB 3.26Å; S764-H766 PolarHBondContact OG-N 3.33Å; S764-W767 PolarHBondContact OG-N 2.88Å
765	S	88.2	Confident	89.6	Confident	76 Å²	76	61.8 Å²	61.8	53%	0.531	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-31.5	170.5	55.6	0	0	0	0	112	F763 C768 Y769	F763-S765 PolarHBondContact O-N 2.95Å; S765-C768 PolarHBondContact O-N 2.79Å; S765-Y769 PolarHBondContact O-N 3.44Å
766	H	89.6	Confident	89	Confident	113 Å²	113	66.9 Å²	66.9	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-45.1	177.8	-170.9	-86	0	0	0	111.1	S764 C768 Y769 E770	S764-H766 VanDerWaalsContact C-N 3.33Å; S764-H766 WeakPolarHBondContact OG-CB 3.26Å; S764-H766 PolarHBondContact OG-N 3.33Å; H766-C768 VanDerWaalsContact C-N 3.32Å; H766-C768 PolarHBondContact O-N 3.44Å; H766-Y769 WeakPolarHBondContact O-CB 3.3Å; H766-Y769 PolarHBondContact O-N 3.08Å; H766-E770 IonicContact CE1-OE1 2.77Å; H766-E770 PolarHBondContact CE1-OE1 3.1Å; H766-E770 IonicContact CE1-OE2 3.55Å; H766-E770 VanDerWaalsContact ND1-CD 3.31Å; H766-E770 IonicContact ND1-OE1 2.79Å; H766-E770 IonicContact ND1-OE2 3.22Å; H766-E770 PolarHBondContact ND1-OE2 3.3Å; H766-E770 PolarHBondContact O-N 3.46Å
767	W	90.8	Very high	88.6	Confident	33 Å²	33	65.2 Å²	65.2	13%	0.125	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-43	177.7	-177.8	91.6	0	0	0	111.9	F741 V754 Q757 W758 S764 Y769 E770 Q771 I773	F741-W767 AromaticContact CE1-CH2 3.95Å; F741-W767 HydrophobicContact CE1-CH2 3.95Å; F741-W767 AromaticContact CE1-CZ2 3.82Å; F741-W767 HydrophobicContact CE1-CZ2 3.82Å; F741-W767 AromaticContact CZ-CH2 3.81Å; F741-W767 HydrophobicContact CZ-CH2 3.81Å; F741-W767 AromaticContact CZ-CZ2 3.75Å; F741-W767 HydrophobicContact CZ-CZ2 3.75Å; V754-W767 WeakPolarHBondContact O-CH2 3.21Å; Q757-W767 HydrophobicContact CB-CH2 4.18Å; Q757-W767 HydrophobicContact CB-CZ2 3.59Å; W758-W767 HydrophobicContact CB-CE3 3.91Å; W758-W767 HydrophobicContact CB-CH2 3.99Å; W758-W767 HydrophobicContact CB-CZ3 3.51Å; W758-W767 AromaticContact CD1-CE3 3.48Å; W758-W767 VanDerWaalsContact CD1-CE3 3.48Å; W758-W767 AromaticContact CD1-CZ3 3.89Å; W758-W767 HydrophobicContact CG-CE3 4.01Å; W758-W767 AromaticContact CG-CZ3 3.95Å; W758-W767 HydrophobicContact CG-CZ3 3.95Å; S764-W767 PolarHBondContact OG-N 2.88Å; W767-Y769 VanDerWaalsContact C-N 3.28Å; W767-Y769 PolarHBondContact O-N 3.1Å; W767-E770 PolarHBondContact O-N 3.11Å; W767-Q771 HydrophobicContact CD2-CG 4.05Å; W767-Q771 HydrophobicContact CH2-CG 4.39Å; W767-Q771 HydrophobicContact CZ2-CG 3.91Å; W767-Q771 WeakPolarHBondContact O-CB 3.48Å; W767-Q771 WeakPolarHBondContact O-CG 3.48Å; W767-Q771 PolarHBondContact O-N 2.66Å; W767-I773 HydrophobicContact CE3-CD1 4.45Å; W767-I773 HydrophobicContact CH2-CD1 3.58Å; W767-I773 HydrophobicContact CZ3-CD1 3.44Å; W767-I773 VanDerWaalsContact CZ3-CD1 3.44Å
768	C	87.9	Confident	88.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-40.2	175	-70.5	0	0	0	0	112.1	W758 S765 H766 F772 I773	W758-C768 VanDerWaalsContact CD1-SG 3.57Å; W758-C768 PolarHBondContact NE1-SG 3.33Å; S765-C768 PolarHBondContact O-N 2.79Å; H766-C768 VanDerWaalsContact C-N 3.32Å; H766-C768 PolarHBondContact O-N 3.44Å; C768-F772 PolarHBondContact O-N 3.42Å; C768-I773 CarbonylContact C-O 3.46Å; C768-I773 HydrophobicContact CB-CB 4.4Å; C768-I773 WeakPolarHBondContact CB-O 3.21Å; C768-I773 PolarHBondContact O-N 2.89Å
769	Y	85.5	Confident	88.2	Confident	148 Å²	148	66.9 Å²	66.9	58%	0.58	32%	0.321	S	S	*	.	H	α-helix	trans	-65.5	-46.3	178.9	-174.6	-98.1	0	0	0	111.8	Y725 S765 H766 W767 Q771 F772	Y725-Y769 PolarHBondContact OH-O 3.06Å; S765-Y769 PolarHBondContact O-N 3.44Å; H766-Y769 WeakPolarHBondContact O-CB 3.3Å; H766-Y769 PolarHBondContact O-N 3.08Å; W767-Y769 VanDerWaalsContact C-N 3.28Å; W767-Y769 PolarHBondContact O-N 3.1Å; Y769-Q771 VanDerWaalsContact C-N 3.34Å; Y769-Q771 PolarHBondContact O-N 3.4Å; Y769-F772 PolarHBondContact O-N 3.13Å
770	E	87.4	Confident	87.8	Confident	106 Å²	106	70.1 Å²	70.1	50%	0.495	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-38.3	178.4	-69.6	-178.1	135.8	0	0	112.9	H766 W767 F772	H766-E770 IonicContact CE1-OE1 2.77Å; H766-E770 PolarHBondContact CE1-OE1 3.1Å; H766-E770 IonicContact CE1-OE2 3.55Å; H766-E770 VanDerWaalsContact ND1-CD 3.31Å; H766-E770 IonicContact ND1-OE1 2.79Å; H766-E770 IonicContact ND1-OE2 3.22Å; H766-E770 PolarHBondContact ND1-OE2 3.3Å; H766-E770 PolarHBondContact O-N 3.46Å; W767-E770 PolarHBondContact O-N 3.11Å; E770-F772 VanDerWaalsContact C-N 3.33Å; E770-F772 PolarHBondContact O-N 2.81Å
771	Q	89.1	Confident	87.6	Confident	48 Å²	48	62.8 Å²	62.8	22%	0.224	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	8.5	-176.9	-63.2	-59.7	-29.2	0	0	114.1	F741 W767 Y769 I773	F741-Q771 HydrophobicContact CE2-CB 4.13Å; F741-Q771 HydrophobicContact CE2-CG 4.45Å; F741-Q771 HydrophobicContact CZ-CB 4Å; F741-Q771 HydrophobicContact CZ-CG 3.95Å; W767-Q771 HydrophobicContact CD2-CG 4.05Å; W767-Q771 HydrophobicContact CH2-CG 4.39Å; W767-Q771 HydrophobicContact CZ2-CG 3.91Å; W767-Q771 WeakPolarHBondContact O-CB 3.48Å; W767-Q771 WeakPolarHBondContact O-CG 3.48Å; W767-Q771 PolarHBondContact O-N 2.66Å; Y769-Q771 VanDerWaalsContact C-N 3.34Å; Y769-Q771 PolarHBondContact O-N 3.4Å; Q771-I773 VanDerWaalsContact C-N 3.26Å; Q771-I773 HydrophobicContact CB-CD1 3.84Å; Q771-I773 HydrophobicContact CB-CG1 4.3Å; Q771-I773 PolarHBondContact O-N 3.36Å
772	F	88.1	Confident	87.7	Confident	20 Å²	20	65.7 Å²	65.7	9%	0.088	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	37.2	-178	-60.8	-91.1	0	0	0	113.9	Y725 P727 K730 H733 A734 A737 C768 Y769 E770	Y725-F772 WeakPolarHBondContact CD1-O 3.44Å; Y725-F772 HydrophobicContact CE1-CB 4.2Å; Y725-F772 AromaticContact CE2-CD1 3.91Å; Y725-F772 HydrophobicContact CE2-CD1 3.91Å; Y725-F772 AromaticContact CZ-CD1 3.95Å; Y725-F772 PolarHBondContact N-O 2.98Å; P727-F772 HydrophobicContact CG-CD1 4.15Å; P727-F772 HydrophobicContact CG-CE1 4.2Å; K730-F772 HydrophobicContact CB-CE1 3.71Å; K730-F772 HydrophobicContact CB-CZ 3.93Å; K730-F772 HydrophobicContact CD-CE1 3.86Å; K730-F772 HydrophobicContact CD-CZ 3.94Å; K730-F772 HydrophobicContact CG-CE1 4.45Å; H733-F772 HydrophobicContact CB-CE2 3.72Å; H733-F772 HydrophobicContact CB-CZ 3.66Å; A734-F772 HydrophobicContact CB-CB 4.04Å; A734-F772 HydrophobicContact CB-CD1 3.82Å; A734-F772 HydrophobicContact CB-CD2 4.12Å; A734-F772 HydrophobicContact CB-CE1 4.27Å; A734-F772 HydrophobicContact CB-CG 3.72Å; A737-F772 HydrophobicContact CB-CD2 3.98Å; C768-F772 PolarHBondContact O-N 3.42Å; Y769-F772 PolarHBondContact O-N 3.13Å; E770-F772 VanDerWaalsContact C-N 3.33Å; E770-F772 PolarHBondContact O-N 2.81Å
773	I	89.3	Confident	87.5	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.015	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-107.1	138.8	177.5	-67.1	162	0	0	0	110.1	I723 F724 F741 V754 W767 C768 Q771 Y775 M778	I723-I773 HydrophobicContact CG2-CG2 4.18Å; I723-I773 CarbonylContact O-C 3.51Å; I723-I773 WeakPolarHBondContact O-CA 3.43Å; F724-I773 HydrophobicContact CD1-CG1 4.45Å; F741-I773 HydrophobicContact CE2-CD1 4.14Å; F741-I773 HydrophobicContact CZ-CD1 4.08Å; V754-I773 HydrophobicContact CG1-CD1 3.66Å; W767-I773 HydrophobicContact CE3-CD1 4.45Å; W767-I773 HydrophobicContact CH2-CD1 3.58Å; W767-I773 HydrophobicContact CZ3-CD1 3.44Å; W767-I773 VanDerWaalsContact CZ3-CD1 3.44Å; C768-I773 CarbonylContact C-O 3.46Å; C768-I773 HydrophobicContact CB-CB 4.4Å; C768-I773 WeakPolarHBondContact CB-O 3.21Å; C768-I773 PolarHBondContact O-N 2.89Å; Q771-I773 VanDerWaalsContact C-N 3.26Å; Q771-I773 HydrophobicContact CB-CD1 3.84Å; Q771-I773 HydrophobicContact CB-CG1 4.3Å; Q771-I773 PolarHBondContact O-N 3.36Å; I773-Y775 PolarHBondContact O-N 3.32Å; I773-M778 HydrophobicContact CG2-CG 3.37Å; I773-M778 HydrophobicContact CG2-SD 3.88Å
774	Q	85.5	Confident	87.4	Confident	72 Å²	72	59.3 Å²	59.3	34%	0.336	27%	0.267	S	S	.	.			trans	-78.2	106.7	176.5	-63.6	-169.8	11.2	0	0	111.2	A722 I723 Y725 R776 T777 M778	A722-Q774 WeakPolarHBondContact O-CB 3.46Å; A722-Q774 WeakPolarHBondContact O-CG 3.46Å; A722-Q774 PolarHBondContact O-OE1 2.73Å; A722-Q774 VanDerWaalsContact O-OE1 3.1Å; I723-Q774 PolarHBondContact O-N 2.83Å; Y725-Q774 HydrophobicContact CD1-CG 3.86Å; Y725-Q774 HydrophobicContact CG-CG 4.28Å; Q774-R776 VanDerWaalsContact C-N 3.26Å; Q774-R776 PolarHBondContact O-N 2.89Å; Q774-T777 WeakPolarHBondContact O-CB 3.48Å; Q774-T777 PolarHBondContact O-N 3.27Å; Q774-T777 PolarHBondContact OE1-OG1 2.73Å; Q774-M778 PolarHBondContact O-N 3.18Å; Q774-M778 VanDerWaalsContact O-N 3.09Å
775	Y	85.3	Confident	87.7	Confident	98 Å²	98	59.3 Å²	59.3	38%	0.384	26%	0.261	S	S	.	.	H	α-helix	trans	-52.1	-41.4	178.6	176.1	-104.6	0	0	0	113.4	W758 I773 T777 M778 K779	W758-Y775 HydrophobicContact CZ2-CD2 4.04Å; W758-Y775 AromaticContact CZ2-CE2 3.83Å; W758-Y775 HydrophobicContact CZ2-CE2 3.83Å; I773-Y775 PolarHBondContact O-N 3.32Å; Y775-T777 VanDerWaalsContact C-N 3.34Å; Y775-T777 PolarHBondContact O-N 3.33Å; Y775-M778 PolarHBondContact O-N 2.62Å; Y775-K779 PolarHBondContact O-N 3.41Å
776	R	80.2	Confident	87.8	Confident	114 Å²	114	59.3 Å²	59.3	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-39.5	179.1	-69.1	-176.7	178	167.1	-4.3	112.5	D524 Q774 K779 R780	D524-R776 VanDerWaalsContact CG-NH2 3.31Å; D524-R776 IonicContact OD1-CZ 3.52Å; D524-R776 VanDerWaalsContact OD1-CZ 3.29Å; D524-R776 IonicContact OD1-NH1 3.64Å; D524-R776 PolarHBondContact OD1-NH1 3.04Å; D524-R776 IonicContact OD1-NH2 3.04Å; D524-R776 PolarHBondContact OD1-NH2 3.08Å; D524-R776 IonicContact OD2-CZ 2.72Å; D524-R776 VanDerWaalsContact OD2-CZ 3.25Å; D524-R776 IonicContact OD2-NH1 2.65Å; D524-R776 PolarHBondContact OD2-NH1 3.3Å; D524-R776 IonicContact OD2-NH2 2.76Å; D524-R776 PolarHBondContact OD2-NH2 3.25Å; Q774-R776 VanDerWaalsContact C-N 3.26Å; Q774-R776 PolarHBondContact O-N 2.89Å; R776-K779 PolarHBondContact O-N 2.83Å; R776-R780 WeakPolarHBondContact O-CG 3.45Å; R776-R780 PolarHBondContact O-N 3.05Å; R776-R780 VanDerWaalsContact O-N 3.14Å
777	T	84.9	Confident	87.6	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-40.5	176.7	-53.8	0	0	0	0	110.6	V719 A722 I723 Q774 Y775 R780 A781	V719-T777 HydrophobicContact CB-CG2 3.73Å; V719-T777 HydrophobicContact CG2-CG2 3.84Å; A722-T777 HydrophobicContact CB-CG2 4.1Å; A722-T777 PolarHBondContact O-OG1 3.3Å; A722-T777 VanDerWaalsContact O-OG1 3.08Å; I723-T777 HydrophobicContact CG1-CG2 3.99Å; Q774-T777 WeakPolarHBondContact O-CB 3.48Å; Q774-T777 PolarHBondContact O-N 3.27Å; Q774-T777 PolarHBondContact OE1-OG1 2.73Å; Y775-T777 VanDerWaalsContact C-N 3.34Å; Y775-T777 PolarHBondContact O-N 3.33Å; T777-R780 WeakPolarHBondContact O-CB 3.35Å; T777-R780 PolarHBondContact O-N 3.47Å; T777-A781 PolarHBondContact O-N 3.32Å
778	M	90.2	Very high	87.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-39.4	175.3	-67.2	-56.9	-64.8	0	0	112.8	M716 I723 V754 Y755 W758 I773 Q774 Y775 R780 A781 R782	M716-M778 HydrophobicContact CE-CE 3.83Å; M716-M778 HydrophobicContact CE-SD 3.74Å; M716-M778 HydrophobicContact SD-CE 3.94Å; M716-M778 HydrophobicContact SD-SD 4.01Å; I723-M778 HydrophobicContact CG2-SD 4.23Å; V754-M778 HydrophobicContact CG1-CE 4.25Å; V754-M778 HydrophobicContact CG1-SD 4.35Å; Y755-M778 HydrophobicContact CD2-CE 3.83Å; Y755-M778 HydrophobicContact CG-CE 4.5Å; W758-M778 HydrophobicContact CB-CE 4.24Å; W758-M778 HydrophobicContact CD2-CB 4.13Å; W758-M778 HydrophobicContact CD2-CE 3.93Å; W758-M778 HydrophobicContact CE3-CB 3.92Å; W758-M778 HydrophobicContact CE3-CE 3.44Å; W758-M778 VanDerWaalsContact CE3-CE 3.44Å; W758-M778 HydrophobicContact CG-CE 4.28Å; W758-M778 HydrophobicContact CH2-CB 3.69Å; W758-M778 HydrophobicContact CZ2-CB 3.91Å; W758-M778 HydrophobicContact CZ3-CB 3.69Å; W758-M778 HydrophobicContact CZ3-CE 4.1Å; W758-M778 WeakPolarHBondContact CZ3-O 3.37Å; I773-M778 HydrophobicContact CG2-CG 3.37Å; I773-M778 HydrophobicContact CG2-SD 3.88Å; Q774-M778 PolarHBondContact O-N 3.18Å; Q774-M778 VanDerWaalsContact O-N 3.09Å; Y775-M778 PolarHBondContact O-N 2.62Å; M778-R780 PolarHBondContact O-N 3.19Å; M778-A781 WeakPolarHBondContact O-CB 3.41Å; M778-A781 PolarHBondContact O-N 3.31Å; M778-R782 PolarHBondContact O-N 3.42Å
779	K	87.4	Confident	87.7	Confident	113 Å²	113	57.4 Å²	57.4	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-59.3	-46.6	172.9	-171.8	176.1	178.5	179.8	0	111.3	Y775 R776 A781 R782 D783	Y775-K779 PolarHBondContact O-N 3.41Å; R776-K779 PolarHBondContact O-N 2.83Å; K779-A781 VanDerWaalsContact C-N 3.33Å; K779-A781 PolarHBondContact O-N 2.92Å; K779-R782 WeakPolarHBondContact O-CB 3.25Å; K779-R782 PolarHBondContact O-N 3.36Å; K779-R782 VanDerWaalsContact O-N 3.16Å; K779-D783 VanDerWaalsContact O-CG 3.23Å; K779-D783 PolarHBondContact O-N 3.06Å
780	R	84.1	Confident	87.8	Confident	96 Å²	96	52.1 Å²	52.1	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-40.6	173.6	-68.7	177.2	-175.1	165.5	0.7	112.3	V719 R776 T777 M778 R782 D783 I784	V719-R780 HydrophobicContact CG1-CB 4.36Å; R776-R780 WeakPolarHBondContact O-CG 3.45Å; R776-R780 PolarHBondContact O-N 3.05Å; R776-R780 VanDerWaalsContact O-N 3.14Å; T777-R780 WeakPolarHBondContact O-CB 3.35Å; T777-R780 PolarHBondContact O-N 3.47Å; M778-R780 PolarHBondContact O-N 3.19Å; R780-R782 VanDerWaalsContact C-N 3.29Å; R780-R782 PolarHBondContact O-N 3.29Å; R780-D783 PolarHBondContact O-N 3.3Å; R780-I784 VanDerWaalsContact O-CG1 3.22Å; R780-I784 WeakPolarHBondContact O-CG1 3.38Å; R780-I784 PolarHBondContact O-N 2.99Å
781	A	89.8	Confident	87.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-43	175.8	0	0	0	0	0	111.3	S715 M716 V719 T777 M778 K779 I784 R785	S715-A781 WeakPolarHBondContact CB-O 3.39Å; M716-A781 HydrophobicContact SD-CB 3.77Å; V719-A781 HydrophobicContact CG2-CB 3.76Å; T777-A781 PolarHBondContact O-N 3.32Å; M778-A781 WeakPolarHBondContact O-CB 3.41Å; M778-A781 PolarHBondContact O-N 3.31Å; K779-A781 VanDerWaalsContact C-N 3.33Å; K779-A781 PolarHBondContact O-N 2.92Å; A781-I784 PolarHBondContact O-N 3.15Å; A781-R785 WeakPolarHBondContact O-CB 3.37Å; A781-R785 PolarHBondContact O-N 2.95Å
782	R	90.8	Very high	87.7	Confident	90 Å²	90	45.7 Å²	45.7	34%	0.34	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-46.3	174.6	-179.3	179	179.3	171.5	3.6	112.1	Y755 W758 M778 K779 R780 I784 R785 D786	Y755-R782 HydrophobicContact CE2-CB 4.44Å; W758-R782 HydrophobicContact CZ3-CB 4.32Å; M778-R782 PolarHBondContact O-N 3.42Å; K779-R782 WeakPolarHBondContact O-CB 3.25Å; K779-R782 PolarHBondContact O-N 3.36Å; K779-R782 VanDerWaalsContact O-N 3.16Å; R780-R782 VanDerWaalsContact C-N 3.29Å; R780-R782 PolarHBondContact O-N 3.29Å; R782-I784 VanDerWaalsContact C-N 3.27Å; R782-I784 PolarHBondContact O-N 2.96Å; R782-R785 WeakPolarHBondContact O-CB 3.36Å; R782-R785 PolarHBondContact O-N 2.76Å; R782-R785 VanDerWaalsContact O-N 3.12Å; R782-D786 IonicContact NE-OD2 2.66Å; R782-D786 PolarHBondContact O-N 3.3Å
783	D	87.4	Confident	87.5	Confident	63 Å²	63	49 Å²	49	34%	0.337	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-39.5	178.3	-58.8	-29.5	0	0	0	111.4	K779 R780 Q787	K779-D783 VanDerWaalsContact O-CG 3.23Å; K779-D783 PolarHBondContact O-N 3.06Å; R780-D783 PolarHBondContact O-N 3.3Å; D783-Q787 WeakPolarHBondContact O-CG 3.33Å; D783-Q787 PolarHBondContact O-N 2.94Å; D783-Q787 PolarHBondContact O-NE2 3.05Å
784	I	88	Confident	87	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-45.5	174.4	-66.4	165.6	0	0	0	111	F353 V719 R780 A781 R782 Q787 F788	F353-I784 HydrophobicContact CB-CG1 4.33Å; F353-I784 HydrophobicContact CD1-CB 4.33Å; F353-I784 HydrophobicContact CD1-CG1 3.68Å; F353-I784 HydrophobicContact CD1-CG2 4.43Å; F353-I784 HydrophobicContact CD2-CD1 4.02Å; F353-I784 HydrophobicContact CD2-CG1 3.72Å; F353-I784 HydrophobicContact CE1-CB 4.25Å; F353-I784 HydrophobicContact CE1-CG1 3.78Å; F353-I784 HydrophobicContact CE1-CG2 3.87Å; F353-I784 HydrophobicContact CE2-CD1 3.83Å; F353-I784 HydrophobicContact CE2-CG1 3.79Å; F353-I784 HydrophobicContact CG-CD1 4.45Å; F353-I784 HydrophobicContact CG-CG1 3.65Å; F353-I784 HydrophobicContact CZ-CD1 4.12Å; F353-I784 HydrophobicContact CZ-CG1 3.81Å; F353-I784 HydrophobicContact CZ-CG2 4.04Å; V719-I784 HydrophobicContact CG1-CD1 3.58Å; R780-I784 VanDerWaalsContact O-CG1 3.22Å; R780-I784 WeakPolarHBondContact O-CG1 3.38Å; R780-I784 PolarHBondContact O-N 2.99Å; A781-I784 PolarHBondContact O-N 3.15Å; R782-I784 VanDerWaalsContact C-N 3.27Å; R782-I784 PolarHBondContact O-N 2.96Å; I784-Q787 PolarHBondContact O-N 2.79Å; I784-F788 HydrophobicContact CG2-CD2 3.87Å; I784-F788 HydrophobicContact CG2-CE1 4.47Å; I784-F788 HydrophobicContact CG2-CE2 3.55Å; I784-F788 HydrophobicContact CG2-CG 4.46Å; I784-F788 HydrophobicContact CG2-CZ 3.88Å; I784-F788 WeakPolarHBondContact O-CG 3.35Å; I784-F788 PolarHBondContact O-N 3.33Å
785	R	92.1	Very high	87	Confident	41 Å²	41	49.4 Å²	49.4	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-49.6	177.3	174.4	176.2	-174.3	-72.4	-0.8	110.8	I711 T712 Y755 A781 R782 Q787 F788 V789	I711-R785 HydrophobicContact CG2-CG 3.99Å; T712-R785 PolarHBondContact OG1-NE 3.1Å; Y755-R785 WeakPolarHBondContact OH-CD 3.16Å; A781-R785 WeakPolarHBondContact O-CB 3.37Å; A781-R785 PolarHBondContact O-N 2.95Å; R782-R785 WeakPolarHBondContact O-CB 3.36Å; R782-R785 PolarHBondContact O-N 2.76Å; R782-R785 VanDerWaalsContact O-N 3.12Å; R785-Q787 PolarHBondContact O-N 3.37Å; R785-F788 PolarHBondContact O-N 2.89Å; R785-F788 VanDerWaalsContact O-N 3.15Å; R785-V789 WeakPolarHBondContact O-CG2 3.48Å; R785-V789 PolarHBondContact O-N 3.22Å
786	D	90.6	Very high	87	Confident	77 Å²	77	50.1 Å²	50.1	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-35.5	-178.4	-67.8	-14	0	0	0	111.2	R782 G790	R782-D786 IonicContact NE-OD2 2.66Å; R782-D786 PolarHBondContact O-N 3.3Å; D786-G790 PolarHBondContact O-N 2.98Å
787	Q	84.8	Confident	87.3	Confident	73 Å²	73	45.2 Å²	45.2	34%	0.341	22%	0.217	S	C	.	.	H	α-helix	trans	-68.8	-44.4	172.3	-74.6	175.5	47.4	0	0	113.2	F353 D783 I784 R785 V789 G790 L791	F353-Q787 VanDerWaalsContact C-NE2 3.34Å; F353-Q787 VanDerWaalsContact CA-NE2 3.28Å; F353-Q787 PolarHBondContact O-NE2 3.33Å; D783-Q787 WeakPolarHBondContact O-CG 3.33Å; D783-Q787 PolarHBondContact O-N 2.94Å; D783-Q787 PolarHBondContact O-NE2 3.05Å; I784-Q787 PolarHBondContact O-N 2.79Å; R785-Q787 PolarHBondContact O-N 3.37Å; Q787-V789 VanDerWaalsContact C-N 3.28Å; Q787-V789 PolarHBondContact O-N 3.09Å; Q787-G790 PolarHBondContact O-N 3.28Å; Q787-G790 VanDerWaalsContact O-N 3.13Å; Q787-L791 WeakPolarHBondContact O-CG 3.3Å; Q787-L791 PolarHBondContact O-N 3.49Å
788	F	90.3	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-38.2	175.5	-74.7	-21.5	0	0	0	111.9	F688 P689 C690 I711 A714 I784 R785 L791 L792	F688-F788 HydrophobicContact CD1-CD1 4.3Å; P689-F788 HydrophobicContact CG-CE1 4.35Å; C690-F788 HydrophobicContact CB-CZ 4.39Å; I711-F788 HydrophobicContact CD1-CB 3.74Å; I711-F788 HydrophobicContact CG2-CB 3.68Å; I711-F788 HydrophobicContact CG2-CD2 4.35Å; A714-F788 HydrophobicContact CB-CD2 4.32Å; A714-F788 HydrophobicContact CB-CE2 3.99Å; I784-F788 HydrophobicContact CG2-CD2 3.87Å; I784-F788 HydrophobicContact CG2-CE1 4.47Å; I784-F788 HydrophobicContact CG2-CE2 3.55Å; I784-F788 HydrophobicContact CG2-CG 4.46Å; I784-F788 HydrophobicContact CG2-CZ 3.88Å; I784-F788 WeakPolarHBondContact O-CG 3.35Å; I784-F788 PolarHBondContact O-N 3.33Å; R785-F788 PolarHBondContact O-N 2.89Å; R785-F788 VanDerWaalsContact O-N 3.15Å; F788-L791 HydrophobicContact CD1-CD1 4.37Å; F788-L791 PolarHBondContact O-N 2.73Å; F788-L791 VanDerWaalsContact O-N 3.14Å; F788-L792 PolarHBondContact O-N 3.01Å
789	V	91.1	Very high	87.4	Confident	33 Å²	33	54.4 Å²	54.4	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-46.4	171.4	173.2	0	0	0	0	110.6	I711 R785 Q787 L791 L792 L799	I711-V789 HydrophobicContact CG2-CG2 4.17Å; R785-V789 WeakPolarHBondContact O-CG2 3.48Å; R785-V789 PolarHBondContact O-N 3.22Å; Q787-V789 VanDerWaalsContact C-N 3.28Å; Q787-V789 PolarHBondContact O-N 3.09Å; V789-L791 PolarHBondContact O-N 3.17Å; V789-L792 WeakPolarHBondContact O-CB 3.29Å; V789-L792 PolarHBondContact O-N 3.31Å; V789-L792 VanDerWaalsContact O-N 3.12Å; V789-L799 HydrophobicContact CG1-CD2 4.41Å; V789-L799 HydrophobicContact CG2-CD1 4.14Å
790	G	86.7	Confident	87.5	Confident	38 Å²	38	51.4 Å²	51.4	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-27.6	175.2	0	0	0	0	0	114.2	D786 Q787	D786-G790 PolarHBondContact O-N 2.98Å; Q787-G790 PolarHBondContact O-N 3.28Å; Q787-G790 VanDerWaalsContact O-N 3.13Å
791	L	86.3	Confident	87.5	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-80.5	-28.1	174.2	-66.4	175.9	0	0	0	113	F688 P689 Q787 F788 V789 D793 R794 V795	F688-L791 HydrophobicContact CD1-CB 4.14Å; F688-L791 HydrophobicContact CD1-CD1 4.19Å; F688-L791 HydrophobicContact CE1-CB 3.84Å; P689-L791 VanDerWaalsContact CD-CD1 3.49Å; P689-L791 HydrophobicContact CG-CD1 4.34Å; Q787-L791 WeakPolarHBondContact O-CG 3.3Å; Q787-L791 PolarHBondContact O-N 3.49Å; F788-L791 HydrophobicContact CD1-CD1 4.37Å; F788-L791 PolarHBondContact O-N 2.73Å; F788-L791 VanDerWaalsContact O-N 3.14Å; V789-L791 PolarHBondContact O-N 3.17Å; L791-D793 PolarHBondContact O-N 2.71Å; L791-R794 WeakPolarHBondContact O-CB 3.47Å; L791-R794 PolarHBondContact O-N 2.65Å; L791-V795 PolarHBondContact O-N 3.28Å
792	L	88.5	Confident	87.2	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-37.5	172.9	-72.7	-178.7	0	0	0	111.5	F688 I698 I711 F788 V789 R794 V795 E796 I797 L799	F688-L792 HydrophobicContact CE1-CD2 4.3Å; F688-L792 HydrophobicContact CZ-CD2 3.99Å; I698-L792 HydrophobicContact CG2-CD2 3.76Å; I711-L792 HydrophobicContact CD1-CD1 3.8Å; I711-L792 HydrophobicContact CD1-CD2 3.86Å; I711-L792 HydrophobicContact CD1-CG 3.79Å; I711-L792 HydrophobicContact CG1-CD1 3.77Å; I711-L792 HydrophobicContact CG1-CG 4.34Å; F788-L792 PolarHBondContact O-N 3.01Å; V789-L792 WeakPolarHBondContact O-CB 3.29Å; V789-L792 PolarHBondContact O-N 3.31Å; V789-L792 VanDerWaalsContact O-N 3.12Å; L792-R794 PolarHBondContact O-N 3.27Å; L792-V795 CarbonylContact O-C 3.6Å; L792-V795 PolarHBondContact O-N 3.32Å; L792-E796 PolarHBondContact O-N 3.37Å; L792-I797 HydrophobicContact CB-CB 4.4Å; L792-I797 HydrophobicContact CD1-CG2 4.47Å; L792-I797 HydrophobicContact CD2-CB 3.92Å; L792-I797 HydrophobicContact CD2-CD1 4.13Å; L792-I797 HydrophobicContact CD2-CG2 3.91Å; L792-I797 PolarHBondContact O-N 2.82Å; L792-I797 VanDerWaalsContact O-N 3.15Å; L792-L799 HydrophobicContact CD1-CD1 4.05Å
793	D	83.3	Confident	86.3	Confident	90 Å²	90	52 Å²	52	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-26.8	175.6	-70	-15.9	0	0	0	113	R62 L791	R62-D793 PolarHBondContact NH1-O 3.11Å; L791-D793 PolarHBondContact O-N 2.71Å
794	R	80.5	Confident	85.9	Confident	79 Å²	79	56.9 Å²	56.9	30%	0.298	30%	0.297	S	S	.	.	H	α-helix	trans	-78.5	-28.6	175.7	-64.6	-172.4	173.4	-158.9	-8	112.1	E687 L791 L792	E687-R794 IonicContact OE2-NH1 2.73Å; L791-R794 WeakPolarHBondContact O-CB 3.47Å; L791-R794 PolarHBondContact O-N 2.65Å; L792-R794 PolarHBondContact O-N 3.27Å
795	V	84.8	Confident	85.8	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-94.2	-2.1	-176.8	-177	0	0	0	0	111.9	Q684 E687 F688 L699 L791 L792 I797	Q684-V795 HydrophobicContact CB-CG1 3.84Å; Q684-V795 HydrophobicContact CG-CG1 3.77Å; Q684-V795 PolarHBondContact NE2-O 2.89Å; E687-V795 HydrophobicContact CB-CG2 4.3Å; F688-V795 HydrophobicContact CE2-CG2 3.83Å; F688-V795 HydrophobicContact CZ-CB 4.48Å; F688-V795 HydrophobicContact CZ-CG2 3.94Å; L699-V795 HydrophobicContact CD2-CG1 3.51Å; L791-V795 PolarHBondContact O-N 3.28Å; L792-V795 CarbonylContact O-C 3.6Å; L792-V795 PolarHBondContact O-N 3.32Å; V795-I797 HydrophobicContact CB-CD1 4.43Å; V795-I797 HydrophobicContact CG1-CD1 3.75Å; V795-I797 HydrophobicContact CG1-CG1 4.1Å
796	E	84.2	Confident	85.6	Confident	113 Å²	113	59.2 Å²	59.2	53%	0.528	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	37.3	-180	-51.5	-176.9	151.9	0	0	112.6	R58 L792	R58-E796 IonicContact CZ-OE1 3.15Å; R58-E796 IonicContact CZ-OE2 3.45Å; R58-E796 VanDerWaalsContact NH1-CD 3.31Å; R58-E796 IonicContact NH1-OE1 2.86Å; R58-E796 PolarHBondContact NH1-OE1 2.88Å; R58-E796 IonicContact NH1-OE2 3.82Å; R58-E796 PolarHBondContact NH1-OE2 3.25Å; R58-E796 IonicContact NH2-OE2 3.86Å; L792-E796 PolarHBondContact O-N 3.37Å
797	I	87.7	Confident	85.6	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.056	31%	0.308	C	S	.	.			trans	-105.9	125.5	176.8	-65.8	172.7	0	0	0	110.1	L699 D702 L792 V795	L699-I797 HydrophobicContact CD2-CD1 3.72Å; D702-I797 HydrophobicContact CB-CD1 4.38Å; D702-I797 HydrophobicContact CB-CG1 4.17Å; D702-I797 HydrophobicContact CB-CG2 3.97Å; L792-I797 HydrophobicContact CB-CB 4.4Å; L792-I797 HydrophobicContact CD1-CG2 4.47Å; L792-I797 HydrophobicContact CD2-CB 3.92Å; L792-I797 HydrophobicContact CD2-CD1 4.13Å; L792-I797 HydrophobicContact CD2-CG2 3.91Å; L792-I797 PolarHBondContact O-N 2.82Å; L792-I797 VanDerWaalsContact O-N 3.15Å; V795-I797 HydrophobicContact CB-CD1 4.43Å; V795-I797 HydrophobicContact CG1-CD1 3.75Å; V795-I797 HydrophobicContact CG1-CG1 4.1Å
798	D	87.7	Confident	86	Confident	117 Å²	117	56.8 Å²	56.8	63%	0.626	30%	0.302	S	S	*	.			trans	-73.9	143.7	175.9	-65.7	-39.6	0	0	0	112	S707 V800	S707-D798 WeakPolarHBondContact CB-O 3.49Å; S707-D798 PolarHBondContact OG-O 3.44Å; D798-V800 HydrophobicContact CB-CG2 4.47Å; D798-V800 PolarHBondContact O-N 3.43Å
799	L	89	Confident	86.1	Confident	81 Å²	81	56.8 Å²	56.8	42%	0.424	30%	0.302	S	S	.	.			trans	-81.6	110.1	175.2	-169.4	73	0	0	0	110.7	S707 G708 V789 L792	S707-L799 WeakPolarHBondContact OG-CA 3.21Å; G708-L799 VanDerWaalsContact CA-CD1 3.45Å; V789-L799 HydrophobicContact CG1-CD2 4.41Å; V789-L799 HydrophobicContact CG2-CD1 4.14Å; L792-L799 HydrophobicContact CD1-CD1 4.05Å
800	V	89.5	Confident	86.2	Confident	51 Å²	51	56.8 Å²	56.8	31%	0.309	30%	0.299	S	S	.	.			trans	-126.3	126.7	179.2	-174.3	0	0	0	0	109.1	K705 C706 S707 G708 D798	K705-V800 HydrophobicContact CB-CG1 4.37Å; K705-V800 WeakPolarHBondContact O-CG1 3.42Å; C706-V800 CarbonylContact C-O 3.54Å; S707-V800 PolarHBondContact N-O 3.12Å; S707-V800 VanDerWaalsContact N-O 3.15Å; S707-V800 PolarHBondContact OG-N 3.45Å; G708-V800 PolarHBondContact N-O 3.48Å; D798-V800 HydrophobicContact CB-CG2 4.47Å; D798-V800 PolarHBondContact O-N 3.43Å
801	N	84	Confident	86.6	Confident	94 Å²	94	56.6 Å²	56.6	50%	0.503	29%	0.287	S	S	.	.			trans	-104.1	129.8	174.4	-61	-38.5	0	0	0	109.4	G708	G708-N801 WeakPolarHBondContact CA-OD1 3.42Å
802	N	82.8	Confident	86.9	Confident	60 Å²	60	55.8 Å²	55.8	32%	0.321	28%	0.283	S	S	.	.			trans	-142.5	70.1	170.8	-169.8	0.4	0	0	0	109.9	D709 H804 D805	D709-N802 PolarHBondContact OD2-N 2.91Å; N802-H804 PolarHBondContact O-N 3.31Å; N802-H804 VanDerWaalsContact O-N 3.14Å; N802-D805 WeakPolarHBondContact ND2-CB 3.4Å; N802-D805 PolarHBondContact O-N 3.48Å; N802-D805 VanDerWaalsContact O-N 3.16Å
803	P	72.6	Confident	87.2	Confident	45 Å²	45	55.7 Å²	55.7	29%	0.292	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22	-169.9	25.7	-35.2	0	0	0	113.5	D709 H806	D709-P803 WeakPolarHBondContact OD1-CA 3.42Å; P803-H806 PolarHBondContact O-CE1 3.01Å; P803-H806 PolarHBondContact O-ND1 2.81Å
804	H	79.3	Confident	87.7	Confident	165 Å²	165	51.4 Å²	51.4	76%	0.764	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.5	-179.4	-59.9	-56.8	0	0	0	113.3	N802 H806	N802-H804 PolarHBondContact O-N 3.31Å; N802-H804 VanDerWaalsContact O-N 3.14Å; H804-H806 PolarHBondContact O-N 2.89Å
805	D	85.3	Confident	88.3	Confident	45 Å²	45	47.9 Å²	47.9	24%	0.241	25%	0.247	C	C	.	.			trans	-91.3	75.5	179	-167.9	-13.3	0	0	0	111.7	N802 V807 N808 I809	N802-D805 WeakPolarHBondContact ND2-CB 3.4Å; N802-D805 PolarHBondContact O-N 3.48Å; N802-D805 VanDerWaalsContact O-N 3.16Å; D805-V807 PolarHBondContact O-N 3.49Å; D805-V807 VanDerWaalsContact O-N 3.17Å; D805-V807 PolarHBondContact OD1-N 3.02Å; D805-N808 HydrophobicContact CB-CB 4.49Å; D805-N808 PolarHBondContact O-N 2.95Å; D805-N808 PolarHBondContact OD1-N 2.92Å; D805-N808 VanDerWaalsContact OD1-N 3.1Å; D805-N808 VanDerWaalsContact OD2-CG 3.29Å; D805-N808 PolarHBondContact OD2-ND2 3.27Å; D805-I809 WeakPolarHBondContact O-CG1 3.48Å; D805-I809 PolarHBondContact O-N 3.29Å
806	H	87.8	Confident	88.7	Confident	49 Å²	49	47.7 Å²	47.7	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-16.2	177.5	-54	-46.6	0	0	0	113.4	H743 P803 H804 R810	H743-H806 AromaticContact CE1-CD2 3.8Å; H743-H806 AromaticContact CE1-NE2 3.98Å; H743-H806 AromaticContact NE2-CD2 3.97Å; H743-H806 AromaticContact NE2-NE2 3.75Å; P803-H806 PolarHBondContact O-CE1 3.01Å; P803-H806 PolarHBondContact O-ND1 2.81Å; H804-H806 PolarHBondContact O-N 2.89Å; H806-R810 VanDerWaalsContact O-CB 3.32Å; H806-R810 WeakPolarHBondContact O-CB 3.34Å; H806-R810 WeakPolarHBondContact O-CG 3.45Å; H806-R810 PolarHBondContact O-N 3.43Å; H806-R810 PolarHBondContact O-NE 3.34Å; H806-R810 VanDerWaalsContact O-NE 3.15Å
807	V	91.8	Very high	89.1	Confident	56 Å²	56	42.5 Å²	42.5	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-74.2	-49.2	178.6	179.6	0	0	0	0	109.6	D805 I809 R810 K811 W877	D805-V807 PolarHBondContact O-N 3.49Å; D805-V807 VanDerWaalsContact O-N 3.17Å; D805-V807 PolarHBondContact OD1-N 3.02Å; V807-I809 PolarHBondContact O-N 3.02Å; V807-R810 WeakPolarHBondContact O-CB 3.45Å; V807-R810 PolarHBondContact O-N 3.27Å; V807-K811 WeakPolarHBondContact O-CG 3.43Å; V807-K811 PolarHBondContact O-N 3.15Å; V807-W877 HydrophobicContact CG1-CH2 4.36Å; V807-W877 HydrophobicContact CG1-CZ2 3.86Å
808	N	91.7	Very high	89.3	Confident	43 Å²	43	42.1 Å²	42.1	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-40.4	179.1	-82	-17.3	0	0	0	112.5	D805 R810 K811 A812	D805-N808 HydrophobicContact CB-CB 4.49Å; D805-N808 PolarHBondContact O-N 2.95Å; D805-N808 PolarHBondContact OD1-N 2.92Å; D805-N808 VanDerWaalsContact OD1-N 3.1Å; D805-N808 VanDerWaalsContact OD2-CG 3.29Å; D805-N808 PolarHBondContact OD2-ND2 3.27Å; N808-R810 VanDerWaalsContact C-N 3.34Å; N808-R810 PolarHBondContact O-N 2.74Å; N808-K811 PolarHBondContact O-N 3.11Å; N808-A812 PolarHBondContact O-N 3.14Å
809	I	92.6	Very high	89.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-45.9	173.5	-64.3	169.7	0	0	0	110.6	C706 D709 I710 I713 I749 L752 D805 V807 K811 A812 I813	C706-I809 HydrophobicContact CB-CG1 3.96Å; D709-I809 HydrophobicContact CB-CD1 3.86Å; D709-I809 HydrophobicContact CB-CG1 4.18Å; I710-I809 HydrophobicContact CD1-CG2 3.96Å; I713-I809 HydrophobicContact CD1-CG2 3.57Å; I749-I809 HydrophobicContact CD1-CB 4.39Å; I749-I809 HydrophobicContact CD1-CD1 4.45Å; I749-I809 HydrophobicContact CD1-CG2 3.77Å; L752-I809 HydrophobicContact CD2-CD1 3.94Å; D805-I809 WeakPolarHBondContact O-CG1 3.48Å; D805-I809 PolarHBondContact O-N 3.29Å; V807-I809 PolarHBondContact O-N 3.02Å; I809-K811 PolarHBondContact O-N 3.34Å; I809-A812 PolarHBondContact O-N 3.17Å; I809-I813 HydrophobicContact CG2-CD1 3.9Å; I809-I813 WeakPolarHBondContact O-CG1 3.37Å; I809-I813 PolarHBondContact O-N 3.22Å
810	R	94.4	Very high	89.2	Confident	33 Å²	33	36.6 Å²	36.6	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-38.5	177.7	-79.6	-171.6	-72.3	171.2	2.8	113.2	H806 V807 N808 I813 T814 I871 E872 W877	H806-R810 VanDerWaalsContact O-CB 3.32Å; H806-R810 WeakPolarHBondContact O-CB 3.34Å; H806-R810 WeakPolarHBondContact O-CG 3.45Å; H806-R810 PolarHBondContact O-N 3.43Å; H806-R810 PolarHBondContact O-NE 3.34Å; H806-R810 VanDerWaalsContact O-NE 3.15Å; V807-R810 WeakPolarHBondContact O-CB 3.45Å; V807-R810 PolarHBondContact O-N 3.27Å; N808-R810 VanDerWaalsContact C-N 3.34Å; N808-R810 PolarHBondContact O-N 2.74Å; R810-I813 PolarHBondContact O-N 3.35Å; R810-T814 WeakPolarHBondContact O-CB 3.19Å; R810-T814 PolarHBondContact O-N 3.42Å; R810-T814 PolarHBondContact O-OG1 3.43Å; R810-I871 HydrophobicContact CB-CD1 4.5Å; R810-I871 HydrophobicContact CG-CD1 3.45Å; R810-I871 VanDerWaalsContact CG-CD1 3.45Å; R810-I871 HydrophobicContact CG-CG1 3.87Å; R810-E872 WeakPolarHBondContact CD-O 3.44Å; R810-E872 PolarHBondContact NH1-O 3.26Å; R810-W877 HydrophobicContact CB-CH2 4.16Å; R810-W877 HydrophobicContact CB-CZ3 3.67Å
811	K	93.8	Very high	89.3	Confident	35 Å²	35	34.2 Å²	34.2	15%	0.152	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-40.1	174.6	-72.5	-173	176.6	-155.9	0	112.1	Y704 V807 N808 I809 T814 A815 W877 E880	Y704-K811 HydrophobicContact CD1-CB 4.09Å; Y704-K811 HydrophobicContact CD1-CD 4.18Å; Y704-K811 HydrophobicContact CD2-CB 4.21Å; Y704-K811 HydrophobicContact CE1-CB 3.81Å; Y704-K811 HydrophobicContact CE1-CD 3.73Å; Y704-K811 HydrophobicContact CE1-CG 4.45Å; Y704-K811 HydrophobicContact CE2-CB 3.9Å; Y704-K811 HydrophobicContact CG-CB 4.3Å; V807-K811 WeakPolarHBondContact O-CG 3.43Å; V807-K811 PolarHBondContact O-N 3.15Å; N808-K811 PolarHBondContact O-N 3.11Å; I809-K811 PolarHBondContact O-N 3.34Å; K811-T814 WeakPolarHBondContact O-CB 3.25Å; K811-T814 PolarHBondContact O-N 2.95Å; K811-A815 PolarHBondContact O-N 3.38Å; K811-W877 HydrophobicContact CG-CD2 3.97Å; K811-W877 HydrophobicContact CG-CE3 4.3Å; K811-W877 HydrophobicContact CG-CG 4.15Å; K811-E880 IonicContact NZ-OE1 2.74Å; K811-E880 PolarHBondContact NZ-OE1 3.02Å; K811-E880 IonicContact NZ-OE2 3.79Å; K811-E880 PolarHBondContact NZ-OE2 2.91Å
812	A	93.7	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-44.2	175	0	0	0	0	0	112	Y704 I710 N808 I809 T814 A815 G816	Y704-A812 HydrophobicContact CD2-CB 3.83Å; I710-A812 HydrophobicContact CD1-CB 3.7Å; I710-A812 HydrophobicContact CG1-CB 3.93Å; N808-A812 PolarHBondContact O-N 3.14Å; I809-A812 PolarHBondContact O-N 3.17Å; A812-T814 VanDerWaalsContact C-N 3.31Å; A812-T814 PolarHBondContact O-N 2.92Å; A812-A815 WeakPolarHBondContact O-CB 3.43Å; A812-A815 PolarHBondContact O-N 3.25Å; A812-A815 VanDerWaalsContact O-N 3.12Å; A812-G816 PolarHBondContact O-N 2.86Å
813	I	94.6	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-43.4	174.1	-65.2	163.3	0	0	0	110.6	M697 I710 I713 H748 I809 R810 A815 G816 F817 I871	M697-I813 HydrophobicContact CG-CG1 4.39Å; M697-I813 HydrophobicContact SD-CB 4.3Å; M697-I813 HydrophobicContact SD-CG1 3.73Å; M697-I813 HydrophobicContact SD-CG2 4.49Å; I710-I813 HydrophobicContact CD1-CG1 3.93Å; I713-I813 HydrophobicContact CD1-CD1 4.32Å; H748-I813 HydrophobicContact CB-CD1 3.8Å; I809-I813 HydrophobicContact CG2-CD1 3.9Å; I809-I813 WeakPolarHBondContact O-CG1 3.37Å; I809-I813 PolarHBondContact O-N 3.22Å; R810-I813 PolarHBondContact O-N 3.35Å; I813-A815 PolarHBondContact O-N 3.22Å; I813-G816 PolarHBondContact O-N 3.48Å; I813-G816 VanDerWaalsContact O-N 3.16Å; I813-F817 HydrophobicContact CG2-CD2 4.32Å; I813-F817 PolarHBondContact O-N 2.78Å; I813-I871 HydrophobicContact CD1-CD1 3.51Å; I813-I871 HydrophobicContact CG2-CG2 4.1Å
814	T	94.2	Very high	90.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-36.2	176	-58.2	0	0	0	0	111.7	R810 K811 A812 G816 F817 F818 I855 I873 W877 L878 V881	R810-T814 WeakPolarHBondContact O-CB 3.19Å; R810-T814 PolarHBondContact O-N 3.42Å; R810-T814 PolarHBondContact O-OG1 3.43Å; K811-T814 WeakPolarHBondContact O-CB 3.25Å; K811-T814 PolarHBondContact O-N 2.95Å; A812-T814 VanDerWaalsContact C-N 3.31Å; A812-T814 PolarHBondContact O-N 2.92Å; T814-G816 PolarHBondContact O-N 2.86Å; T814-F817 PolarHBondContact O-N 3.28Å; T814-F818 WeakPolarHBondContact O-CA 3.45Å; T814-F818 VanDerWaalsContact O-CB 3.25Å; T814-F818 WeakPolarHBondContact O-CB 3.39Å; T814-F818 PolarHBondContact O-N 2.95Å; T814-I855 HydrophobicContact CG2-CD1 3.74Å; T814-I873 WeakPolarHBondContact OG1-CG2 3.37Å; T814-W877 HydrophobicContact CG2-CB 4.41Å; T814-L878 HydrophobicContact CG2-CD2 4.04Å; T814-V881 HydrophobicContact CG2-CG2 4.49Å
815	A	92.9	Very high	91	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-31.5	178.4	0	0	0	0	0	115.5	K696 A700 K811 A812 I813 F818 V881	K696-A815 VanDerWaalsContact CG-O 3.23Å; K696-A815 WeakPolarHBondContact CG-O 3.23Å; A700-A815 HydrophobicContact CB-CB 3.46Å; A700-A815 VanDerWaalsContact CB-CB 3.46Å; K811-A815 PolarHBondContact O-N 3.38Å; A812-A815 WeakPolarHBondContact O-CB 3.43Å; A812-A815 PolarHBondContact O-N 3.25Å; A812-A815 VanDerWaalsContact O-N 3.12Å; I813-A815 PolarHBondContact O-N 3.22Å; A815-F818 WeakPolarHBondContact O-CD1 3.5Å; A815-V881 HydrophobicContact CB-CG1 3.36Å
816	G	92.5	Very high	90.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-81.2	-39.4	173.6	0	0	0	0	0	113.1	L669 Q693 A812 I813 T814	L669-G816 WeakPolarHBondContact CD2-O 3.33Å; Q693-G816 VanDerWaalsContact CB-O 3.29Å; Q693-G816 WeakPolarHBondContact CB-O 3.29Å; Q693-G816 WeakPolarHBondContact O-CA 3.29Å; A812-G816 PolarHBondContact O-N 2.86Å; I813-G816 PolarHBondContact O-N 3.48Å; I813-G816 VanDerWaalsContact O-N 3.16Å; T814-G816 PolarHBondContact O-N 2.86Å
817	F	93.4	Very high	90.4	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-113.6	17.9	-165.6	-68.9	-90.3	0	0	0	113.9	Q693 L694 M697 I813 T814 Y819 H820 I855 H857	Q693-F817 HydrophobicContact CB-CD1 4.07Å; Q693-F817 HydrophobicContact CB-CE1 3.82Å; Q693-F817 HydrophobicContact CB-CE2 4.33Å; Q693-F817 HydrophobicContact CB-CG 4.43Å; Q693-F817 HydrophobicContact CB-CZ 3.95Å; L694-F817 HydrophobicContact CG-CZ 4.23Å; M697-F817 HydrophobicContact CB-CE2 4.41Å; M697-F817 HydrophobicContact SD-CD2 4.36Å; M697-F817 HydrophobicContact SD-CE2 3.96Å; I813-F817 HydrophobicContact CG2-CD2 4.32Å; I813-F817 PolarHBondContact O-N 2.78Å; T814-F817 PolarHBondContact O-N 3.28Å; F817-Y819 PolarHBondContact O-N 2.91Å; F817-H820 AromaticContact CD1-ND1 3.77Å; F817-H820 CarbonylContact O-C 3.37Å; F817-H820 WeakPolarHBondContact O-CA 3.48Å; F817-H820 WeakPolarHBondContact O-CB 3.43Å; F817-H820 PolarHBondContact O-N 2.85Å; F817-I855 HydrophobicContact CB-CG2 3.4Å; F817-I855 HydrophobicContact CG-CG2 4.44Å; F817-H857 AromaticContact CE1-CE1 3.87Å; F817-H857 AromaticContact CE1-ND1 3.3Å; F817-H857 VanDerWaalsContact CE1-ND1 3.3Å; F817-H857 WeakPolarHBondContact CE1-ND1 3.44Å; F817-H857 AromaticContact CZ-CE1 3.58Å; F817-H857 AromaticContact CZ-ND1 3.2Å; F817-H857 WeakPolarHBondContact CZ-ND1 3.33Å
818	F	91.1	Very high	90	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.013	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27	178.5	67.3	-94	0	0	0	112.9	A668 L669 T814 A815 H820 T821 L878 A882 Y885 Y886	A668-F818 HydrophobicContact CB-CE2 4.26Å; A668-F818 HydrophobicContact CB-CZ 4.07Å; A668-F818 VanDerWaalsContact O-CZ 3.28Å; A668-F818 WeakPolarHBondContact O-CZ 3.32Å; L669-F818 HydrophobicContact CD2-CE1 3.82Å; L669-F818 HydrophobicContact CD2-CZ 4.25Å; T814-F818 WeakPolarHBondContact O-CA 3.45Å; T814-F818 VanDerWaalsContact O-CB 3.25Å; T814-F818 WeakPolarHBondContact O-CB 3.39Å; T814-F818 PolarHBondContact O-N 2.95Å; A815-F818 WeakPolarHBondContact O-CD1 3.5Å; F818-H820 PolarHBondContact O-N 3.49Å; F818-T821 PolarHBondContact O-OG1 3.14Å; F818-L878 HydrophobicContact CB-CD2 4.32Å; F818-A882 HydrophobicContact CB-CB 4.38Å; F818-A882 HydrophobicContact CD1-CB 4.14Å; F818-A882 HydrophobicContact CD2-CB 3.77Å; F818-A882 HydrophobicContact CE1-CB 4.41Å; F818-A882 HydrophobicContact CE2-CB 4.09Å; F818-A882 HydrophobicContact CG-CB 3.83Å; F818-A882 HydrophobicContact CZ-CB 4.42Å; F818-Y885 HydrophobicContact CD2-CD1 4.08Å; F818-Y885 HydrophobicContact CD2-CG 4.26Å; F818-Y885 HydrophobicContact CE2-CD1 4.13Å; F818-Y885 HydrophobicContact CE2-CD2 4.23Å; F818-Y885 AromaticContact CE2-CG 3.89Å; F818-Y885 HydrophobicContact CE2-CG 3.89Å; F818-Y886 HydrophobicContact CB-CE2 4.13Å; F818-Y886 HydrophobicContact CD2-CE2 4.03Å; F818-Y886 PolarHBondContact O-OH 3.46Å
819	Y	86.6	Confident	89.9	Confident	55 Å²	55	26 Å²	26	22%	0.216	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-65.5	-28.9	174.9	-155.9	-87.8	0	0	0	112.2	F817 T821 Y885	F817-Y819 PolarHBondContact O-N 2.91Å; Y819-T821 VanDerWaalsContact C-N 3.3Å; Y819-T821 PolarHBondContact O-N 2.91Å; Y819-Y885 HydrophobicContact CD2-CE1 4.46Å; Y819-Y885 AromaticContact CD2-CE2 3.86Å; Y819-Y885 HydrophobicContact CD2-CE2 3.86Å; Y819-Y885 AromaticContact CD2-CZ 3.65Å; Y819-Y885 WeakPolarHBondContact CD2-OH 3.41Å; Y819-Y885 AromaticContact CE2-CE2 3.71Å; Y819-Y885 HydrophobicContact CE2-CE2 3.71Å; Y819-Y885 AromaticContact CE2-CZ 3.64Å; Y819-Y885 WeakPolarHBondContact CE2-OH 3.26Å
820	H	89.4	Confident	89.6	Confident	27 Å²	27	29.7 Å²	29.7	13%	0.125	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-95.2	45.9	-179.7	-65	-175.7	0	0	0	111.4	F817 F818 I855 Y856 H857	F817-H820 AromaticContact CD1-ND1 3.77Å; F817-H820 CarbonylContact O-C 3.37Å; F817-H820 WeakPolarHBondContact O-CA 3.48Å; F817-H820 WeakPolarHBondContact O-CB 3.43Å; F817-H820 PolarHBondContact O-N 2.85Å; F818-H820 PolarHBondContact O-N 3.49Å; H820-I855 WeakPolarHBondContact O-CA 3.3Å; H820-Y856 VanDerWaalsContact C-CE1 3.46Å; H820-Y856 HydrophobicContact CB-CD1 4.25Å; H820-Y856 HydrophobicContact CB-CD2 3.73Å; H820-Y856 HydrophobicContact CB-CE1 4.03Å; H820-Y856 HydrophobicContact CB-CE2 3.44Å; H820-Y856 VanDerWaalsContact CB-CE2 3.44Å; H820-Y856 HydrophobicContact CB-CG 4.12Å; H820-Y856 WeakPolarHBondContact CB-O 3.44Å; H820-Y856 AromaticContact CG-CE2 3.55Å; H820-Y856 AromaticContact ND1-CE2 3.84Å; H820-Y856 PolarHBondContact ND1-O 3.35Å; H820-Y856 WeakPolarHBondContact O-CD1 3.44Å; H820-Y856 WeakPolarHBondContact O-CE1 3.49Å; H820-Y856 PolarHBondContact O-N 3.37Å; H820-Y856 VanDerWaalsContact O-N 3.15Å; H820-H857 PolarHBondContact CE1-O 3.11Å; H820-H857 VanDerWaalsContact CE1-O 3.3Å; H820-H857 PolarHBondContact ND1-O 2.9Å
821	T	90.8	Very high	89.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	178.3	-59.1	0	0	0	0	110.6	F818 Y819 V832 W853 I873 L878 Y886	F818-T821 PolarHBondContact O-OG1 3.14Å; Y819-T821 VanDerWaalsContact C-N 3.3Å; Y819-T821 PolarHBondContact O-N 2.91Å; T821-V832 HydrophobicContact CG2-CG2 3.8Å; T821-V832 PolarHBondContact O-N 2.88Å; T821-W853 HydrophobicContact CG2-CE3 3.76Å; T821-W853 HydrophobicContact CG2-CZ3 3.94Å; T821-I873 HydrophobicContact CG2-CD1 4.16Å; T821-L878 HydrophobicContact CG2-CD1 3.89Å; T821-L878 HydrophobicContact CG2-CD2 4.33Å; T821-Y886 WeakPolarHBondContact CB-OH 3.5Å; T821-Y886 PolarHBondContact OG1-OH 2.97Å
822	A	91.5	Very high	88.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.2	175.1	0	0	0	0	0	111.5	Y829 K830 I838 V854 Y856 M867	A822-Y829 HydrophobicContact CB-CD1 4.07Å; A822-Y829 HydrophobicContact CB-CG 4.48Å; A822-K830 WeakPolarHBondContact CA-O 3.2Å; A822-I838 HydrophobicContact CB-CD1 3.73Å; A822-I838 HydrophobicContact CB-CG1 4.4Å; A822-V854 HydrophobicContact CB-CG2 3.86Å; A822-V854 PolarHBondContact N-O 2.92Å; A822-V854 PolarHBondContact O-N 3.45Å; A822-Y856 HydrophobicContact CB-CD1 4.19Å; A822-Y856 HydrophobicContact CB-CE1 4.1Å; A822-M867 HydrophobicContact CB-SD 3.86Å
823	R	90.5	Very high	87.9	Confident	57 Å²	57	32.4 Å²	32.4	22%	0.215	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.1	178.1	177	-177	164.6	179.7	-2.9	110.8	Y829 K830 K852 W853	R823-Y829 CarbonylContact O-C 3.6Å; R823-Y829 WeakPolarHBondContact O-CA 3.15Å; R823-K830 PolarHBondContact N-O 2.96Å; R823-K830 PolarHBondContact O-N 2.75Å; R823-K852 WeakPolarHBondContact CA-O 3.28Å; R823-W853 HydrophobicContact CB-CD2 4.34Å; R823-W853 HydrophobicContact CB-CE3 4.1Å; R823-W853 HydrophobicContact CB-CH2 4.39Å; R823-W853 HydrophobicContact CB-CZ3 4.14Å; R823-W853 HydrophobicContact CG-CD2 4.39Å; R823-W853 HydrophobicContact CG-CZ2 4.34Å
824	F	89.3	Confident	86.9	Confident	61 Å²	61	36 Å²	36	27%	0.268	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.7	173.8	-168.1	-112.3	0	0	0	111.6	G826 Y829 L850 K852	F824-G826 WeakPolarHBondContact CZ-O 3.5Å; F824-Y829 HydrophobicContact CB-CD1 4.09Å; F824-Y829 HydrophobicContact CB-CE1 3.73Å; F824-Y829 AromaticContact CD2-CD2 3.95Å; F824-Y829 HydrophobicContact CD2-CD2 3.95Å; F824-Y829 HydrophobicContact CD2-CE1 4.35Å; F824-Y829 AromaticContact CD2-CE2 3.76Å; F824-Y829 HydrophobicContact CD2-CE2 3.76Å; F824-Y829 HydrophobicContact CD2-CG 4.36Å; F824-Y829 AromaticContact CD2-CZ 3.95Å; F824-Y829 HydrophobicContact CE2-CE2 4.47Å; F824-L850 HydrophobicContact CE2-CD1 4.26Å; F824-L850 HydrophobicContact CZ-CD1 4.29Å; F824-K852 PolarHBondContact N-O 3.36Å
825	T	84.1	Confident	86.1	Confident	64 Å²	64	43.3 Å²	43.3	39%	0.393	22%	0.219	S	C	.	.			trans	-116.5	10	179	58.2	0	0	0	0	114.4	D827 G828 K830	T825-D827 PolarHBondContact O-N 2.94Å; T825-G828 PolarHBondContact N-O 2.98Å; T825-G828 PolarHBondContact OG1-O 2.86Å; T825-K830 HydrophobicContact CG2-CB 4.35Å; T825-K830 HydrophobicContact CG2-CD 4.05Å; T825-K830 HydrophobicContact CG2-CG 4.24Å; T825-K830 WeakPolarHBondContact OG1-CE 3.42Å
826	G	79.9	Confident	85.5	Confident	46 Å²	46	47 Å²	47	47%	0.474	24%	0.235	S	C	.	.	S	Bend	trans	97.8	-55.1	-175.7	0	0	0	0	0	112.5	F824 G828	F824-G826 WeakPolarHBondContact CZ-O 3.5Å; G826-G828 VanDerWaalsContact C-N 3.28Å; G826-G828 PolarHBondContact O-N 3.13Å
827	D	79	Confident	85.3	Confident	145 Å²	145	49.5 Å²	49.5	78%	0.775	25%	0.25	S	S	*	.	S	Bend	trans	-84.9	4.1	-180	-62.6	-24.8	0	0	0	114.2	T825	T825-D827 PolarHBondContact O-N 2.94Å
828	G	83.4	Confident	85.1	Confident	6 Å²	6	49.3 Å²	49.3	6%	0.062	25%	0.249	C	C	.	.	S	Bend	trans	143.7	-177.5	-173.7	0	0	0	0	0	112.2	T825 G826	T825-G828 PolarHBondContact N-O 2.98Å; T825-G828 PolarHBondContact OG1-O 2.86Å; G826-G828 VanDerWaalsContact C-N 3.28Å; G826-G828 PolarHBondContact O-N 3.13Å
829	Y	89.6	Confident	85	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.5	172.9	-75.8	-94.4	0	0	0	110.4	A822 R823 F824 T837 I838 P840 L850 P851 V854 M867	A822-Y829 HydrophobicContact CB-CD1 4.07Å; A822-Y829 HydrophobicContact CB-CG 4.48Å; R823-Y829 CarbonylContact O-C 3.6Å; R823-Y829 WeakPolarHBondContact O-CA 3.15Å; F824-Y829 HydrophobicContact CB-CD1 4.09Å; F824-Y829 HydrophobicContact CB-CE1 3.73Å; F824-Y829 AromaticContact CD2-CD2 3.95Å; F824-Y829 HydrophobicContact CD2-CD2 3.95Å; F824-Y829 HydrophobicContact CD2-CE1 4.35Å; F824-Y829 AromaticContact CD2-CE2 3.76Å; F824-Y829 HydrophobicContact CD2-CE2 3.76Å; F824-Y829 HydrophobicContact CD2-CG 4.36Å; F824-Y829 AromaticContact CD2-CZ 3.95Å; F824-Y829 HydrophobicContact CE2-CE2 4.47Å; Y829-T837 CarbonylContact O-C 3.55Å; Y829-T837 WeakPolarHBondContact O-CA 3.49Å; Y829-I838 WeakPolarHBondContact CB-O 3.41Å; Y829-I838 PolarHBondContact N-O 3.46Å; Y829-I838 VanDerWaalsContact N-O 3.11Å; Y829-I838 PolarHBondContact O-N 3.15Å; Y829-I838 VanDerWaalsContact O-O 3.14Å; Y829-P840 HydrophobicContact CE2-CG 4.42Å; Y829-L850 HydrophobicContact CE2-CD2 3.83Å; Y829-L850 VanDerWaalsContact OH-CA 3.26Å; Y829-L850 WeakPolarHBondContact OH-CA 3.14Å; Y829-P851 VanDerWaalsContact CE1-O 3.3Å; Y829-P851 WeakPolarHBondContact CE1-O 3.24Å; Y829-P851 WeakPolarHBondContact OH-CD 3.49Å; Y829-P851 PolarHBondContact OH-O 2.91Å; Y829-V854 HydrophobicContact CD1-CG2 3.66Å; Y829-V854 HydrophobicContact CE1-CB 4.34Å; Y829-V854 HydrophobicContact CE1-CG1 3.92Å; Y829-V854 HydrophobicContact CE1-CG2 3.5Å; Y829-M867 HydrophobicContact CD1-CE 4.32Å; Y829-M867 HydrophobicContact CD2-CE 3.57Å; Y829-M867 HydrophobicContact CE2-CE 4.27Å; Y829-M867 HydrophobicContact CG-CE 3.59Å
830	K	87.6	Confident	85.2	Confident	79 Å²	79	51.1 Å²	51.1	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.5	172.8	-65.3	-174.1	-176	176.1	0	110.7	A822 R823 T825 H836	A822-K830 WeakPolarHBondContact CA-O 3.2Å; R823-K830 PolarHBondContact N-O 2.96Å; R823-K830 PolarHBondContact O-N 2.75Å; T825-K830 HydrophobicContact CG2-CB 4.35Å; T825-K830 HydrophobicContact CG2-CD 4.05Å; T825-K830 HydrophobicContact CG2-CG 4.24Å; T825-K830 WeakPolarHBondContact OG1-CE 3.42Å; K830-H836 VanDerWaalsContact CA-O 3.25Å; K830-H836 WeakPolarHBondContact CA-O 3.46Å
831	T	86.3	Confident	85.1	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.3	171.2	59	0	0	0	0	110.2	K835 H836 I838	T831-K835 WeakPolarHBondContact O-CA 3.25Å; T831-K835 PolarHBondContact O-N 2.9Å; T831-K835 PolarHBondContact OG1-N 3.36Å; T831-H836 HydrophobicContact CG2-CB 4.42Å; T831-H836 PolarHBondContact N-O 3.46Å; T831-H836 PolarHBondContact OG1-N 3.02Å; T831-I838 HydrophobicContact CG2-CD1 3.51Å; T831-I838 HydrophobicContact CG2-CG1 4.33Å
832	V	80.7	Confident	84.8	Confident	28 Å²	28	55.4 Å²	55.4	17%	0.17	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-45.8	-170.8	-177.2	0	0	0	0	112.3	T821 W853 Y886	T821-V832 HydrophobicContact CG2-CG2 3.8Å; T821-V832 PolarHBondContact O-N 2.88Å; V832-W853 HydrophobicContact CG2-CH2 4.42Å; V832-W853 HydrophobicContact CG2-CZ3 3.7Å; V832-Y886 HydrophobicContact CB-CE1 4.05Å; V832-Y886 HydrophobicContact CG1-CD1 4.35Å; V832-Y886 HydrophobicContact CG1-CE1 3.79Å; V832-Y886 HydrophobicContact CG2-CE1 4.31Å
833	K	77.8	Confident	84.4	Confident	84 Å²	84	58.9 Å²	58.9	37%	0.365	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-48	-175.9	-65.1	-65.2	-170.6	-176.9	0	113.1	Y885 E890	K833-Y885 HydrophobicContact CD-CE1 4.36Å; K833-Y885 VanDerWaalsContact CE-CE1 3.42Å; K833-Y885 HydrophobicContact CG-CE1 3.97Å; K833-Y885 WeakPolarHBondContact CG-OH 3.48Å; K833-Y885 PolarHBondContact NZ-O 3.4Å; K833-E890 VanDerWaalsContact NZ-CD 3.27Å; K833-E890 IonicContact NZ-OE1 2.67Å; K833-E890 PolarHBondContact NZ-OE1 2.72Å; K833-E890 IonicContact NZ-OE2 3.12Å; K833-E890 PolarHBondContact NZ-OE2 3.32Å
834	Q	74.5	Confident	84.3	Confident	76 Å²	76	56.4 Å²	56.4	36%	0.355	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.5	-174	-58.3	-179.2	6.6	0	0	113.6	R573 H836	R573-Q834 VanDerWaalsContact O-CD 3.25Å; R573-Q834 PolarHBondContact O-NE2 2.69Å; R573-Q834 PolarHBondContact O-OE1 3.4Å; Q834-H836 PolarHBondContact O-N 3.5Å; Q834-H836 VanDerWaalsContact O-N 3.14Å
835	K	77.4	Confident	84	Confident	153 Å²	153	55.1 Å²	55.1	67%	0.665	30%	0.295	S	S	*	.			trans	55	27.1	-175.8	-57.8	-179.2	-179.1	176.7	0	113.4	T831	T831-K835 WeakPolarHBondContact O-CA 3.25Å; T831-K835 PolarHBondContact O-N 2.9Å; T831-K835 PolarHBondContact OG1-N 3.36Å
836	H	81.1	Confident	84	Confident	82 Å²	82	52.2 Å²	52.2	38%	0.38	28%	0.277	S	S	.	.			trans	-73.5	136.7	177.5	-138.4	82.2	0	0	0	109.7	K830 T831 Q834 E865	K830-H836 VanDerWaalsContact CA-O 3.25Å; K830-H836 WeakPolarHBondContact CA-O 3.46Å; T831-H836 HydrophobicContact CG2-CB 4.42Å; T831-H836 PolarHBondContact N-O 3.46Å; T831-H836 PolarHBondContact OG1-N 3.02Å; Q834-H836 PolarHBondContact O-N 3.5Å; Q834-H836 VanDerWaalsContact O-N 3.14Å; H836-E865 IonicContact CD2-OE1 3.57Å; H836-E865 IonicContact CD2-OE2 3.23Å; H836-E865 PolarHBondContact CD2-OE2 3.26Å; H836-E865 IonicContact NE2-OE1 3.58Å; H836-E865 IonicContact NE2-OE2 2.69Å
837	T	86.9	Confident	84.1	Confident	51 Å²	51	51.9 Å²	51.9	31%	0.313	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.3	-176.8	-55.3	0	0	0	0	110	Y829 Y839	Y829-T837 CarbonylContact O-C 3.55Å; Y829-T837 WeakPolarHBondContact O-CA 3.49Å; T837-Y839 HydrophobicContact CG2-CE2 4.14Å
838	I	89.1	Confident	84.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.2	-175	53.6	179	0	0	0	110	A822 Y829 T831 Y856 L859 E865 M867	A822-I838 HydrophobicContact CB-CD1 3.73Å; A822-I838 HydrophobicContact CB-CG1 4.4Å; Y829-I838 WeakPolarHBondContact CB-O 3.41Å; Y829-I838 PolarHBondContact N-O 3.46Å; Y829-I838 VanDerWaalsContact N-O 3.11Å; Y829-I838 PolarHBondContact O-N 3.15Å; Y829-I838 VanDerWaalsContact O-O 3.14Å; T831-I838 HydrophobicContact CG2-CD1 3.51Å; T831-I838 HydrophobicContact CG2-CG1 4.33Å; I838-Y856 HydrophobicContact CD1-CD1 4.15Å; I838-Y856 HydrophobicContact CD1-CE1 3.62Å; I838-L859 HydrophobicContact CB-CD2 4.14Å; I838-L859 HydrophobicContact CD1-CD2 4.01Å; I838-L859 HydrophobicContact CG2-CD1 4.2Å; I838-L859 HydrophobicContact CG2-CD2 3.85Å; I838-E865 HydrophobicContact CG2-CB 4.01Å; I838-M867 HydrophobicContact CB-CG 4.18Å; I838-M867 HydrophobicContact CD1-CG 3.74Å; I838-M867 HydrophobicContact CD1-SD 3.52Å; I838-M867 VanDerWaalsContact CD1-SD 3.52Å; I838-M867 HydrophobicContact CG1-CE 4.26Å; I838-M867 HydrophobicContact CG1-CG 4.11Å; I838-M867 HydrophobicContact CG1-SD 3.88Å
839	Y	90.1	Very high	84.1	Confident	74 Å²	74	55.7 Å²	55.7	29%	0.29	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.5	-173.4	-60.8	-88.7	0	0	0	111.2	T837 K864 E865 F866 M867	T837-Y839 HydrophobicContact CG2-CE2 4.14Å; Y839-K864 HydrophobicContact CD2-CB 4.07Å; Y839-K864 HydrophobicContact CD2-CD 3.99Å; Y839-K864 HydrophobicContact CE2-CB 4.43Å; Y839-K864 HydrophobicContact CE2-CD 3.86Å; Y839-E865 PolarHBondContact N-O 3.44Å; Y839-F866 CarbonylContact O-C 3.58Å; Y839-F866 VanDerWaalsContact O-CA 3.24Å; Y839-F866 WeakPolarHBondContact O-CA 3.41Å; Y839-M867 PolarHBondContact O-N 3Å
840	P	90.3	Very high	83.8	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.143	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136	173.3	28.7	-33.4	0	0	0	110.2	Y829 L850 F866 M867 I870	Y829-P840 HydrophobicContact CE2-CG 4.42Å; P840-L850 HydrophobicContact CG-CD2 3.91Å; P840-F866 WeakPolarHBondContact O-CD1 3.44Å; P840-M867 HydrophobicContact CB-CE 4.35Å; P840-I870 HydrophobicContact CB-CD1 3.44Å; P840-I870 VanDerWaalsContact CB-CD1 3.44Å
841	H	88	Confident	83.8	Confident	34 Å²	34	55.4 Å²	55.4	16%	0.157	29%	0.294	C	S	.	.			trans	-63.2	138.7	174.4	-170	-87	0	0	0	110.3	N843 S844 F866 M867 R868	H841-N843 WeakPolarHBondContact ND1-CB 3.19Å; H841-N843 PolarHBondContact ND1-N 3.07Å; H841-N843 PolarHBondContact O-N 2.98Å; H841-S844 VanDerWaalsContact O-CB 3.23Å; H841-S844 WeakPolarHBondContact O-CB 3.25Å; H841-S844 PolarHBondContact O-N 3.1Å; H841-F866 HydrophobicContact CB-CB 4.1Å; H841-M867 WeakPolarHBondContact CB-O 3.45Å; H841-M867 PolarHBondContact N-O 3.28Å; H841-R868 HydrophobicContact CB-CG 4.19Å
842	P	84.2	Confident	84	Confident	84 Å²	84	60.4 Å²	60.4	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.4	-176.8	-27.7	34.5	0	0	0	114.7	S844	P842-S844 PolarHBondContact O-N 3.25Å
843	N	83.4	Confident	84.6	Confident	73 Å²	73	59.7 Å²	59.7	39%	0.39	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-0.4	178.8	-60.2	-6.6	0	0	0	114.6	R738 H841	R738-N843 PolarHBondContact NH2-O 3.07Å; H841-N843 WeakPolarHBondContact ND1-CB 3.19Å; H841-N843 PolarHBondContact ND1-N 3.07Å; H841-N843 PolarHBondContact O-N 2.98Å
844	S	86.8	Confident	85.3	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-79.1	143.1	176.7	-177.4	0	0	0	0	111.1	D747 H841 P842 L846 S847	D747-S844 VanDerWaalsContact CG-OG 3.27Å; D747-S844 WeakPolarHBondContact OD1-CA 3.37Å; D747-S844 PolarHBondContact OD1-OG 2.76Å; D747-S844 VanDerWaalsContact OD2-CB 3.28Å; D747-S844 WeakPolarHBondContact OD2-CB 3.48Å; D747-S844 PolarHBondContact OD2-OG 2.9Å; H841-S844 VanDerWaalsContact O-CB 3.23Å; H841-S844 WeakPolarHBondContact O-CB 3.25Å; H841-S844 PolarHBondContact O-N 3.1Å; P842-S844 PolarHBondContact O-N 3.25Å; S844-L846 PolarHBondContact O-N 3.07Å; S844-L846 PolarHBondContact OG-N 2.8Å; S844-S847 WeakPolarHBondContact O-CB 3Å; S844-S847 PolarHBondContact O-N 3.24Å; S844-S847 PolarHBondContact O-OG 2.74Å
845	C	83.5	Confident	86.3	Confident	34 Å²	34	52.1 Å²	52.1	23%	0.23	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.6	173	-55.8	0	0	0	0	112	D747 M750	D747-C845 WeakPolarHBondContact OD1-CB 3.36Å; D747-C845 PolarHBondContact OD1-N 2.97Å; D747-C845 PolarHBondContact OD1-SG 3.11Å; M750-C845 PolarHBondContact SD-SG 3.23Å
846	L	85.5	Confident	87	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.5	-176.4	-64	177.8	0	0	0	113.6	V744 S844 E848 A849 L850 P851 I870 E872	V744-L846 WeakPolarHBondContact O-CD2 3.06Å; S844-L846 PolarHBondContact O-N 3.07Å; S844-L846 PolarHBondContact OG-N 2.8Å; L846-E848 PolarHBondContact O-N 2.93Å; L846-A849 HydrophobicContact CD2-CB 4.39Å; L846-L850 PolarHBondContact O-N 3.46Å; L846-P851 HydrophobicContact CD1-CG 4.16Å; L846-P851 HydrophobicContact CD2-CG 4.22Å; L846-I870 HydrophobicContact CB-CG2 4.46Å; L846-I870 HydrophobicContact CD1-CB 4.13Å; L846-I870 HydrophobicContact CD1-CG2 3.81Å; L846-E872 HydrophobicContact CD1-CB 4.47Å
847	S	81	Confident	87.4	Confident	39 Å²	39	42.8 Å²	42.8	27%	0.273	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.9	177.7	55.6	0	0	0	0	112.9	S844 L850	S844-S847 WeakPolarHBondContact O-CB 3Å; S844-S847 PolarHBondContact O-N 3.24Å; S844-S847 PolarHBondContact O-OG 2.74Å; S847-L850 WeakPolarHBondContact O-CD2 3.37Å
848	E	80.3	Confident	87.4	Confident	160 Å²	160	43 Å²	43	75%	0.748	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-40.8	-179.4	-63.8	179	-172.6	0	0	113.4	L846 L850	L846-E848 PolarHBondContact O-N 2.93Å; E848-L850 PolarHBondContact O-N 3.33Å
849	A	81.6	Confident	87.2	Confident	71 Å²	71	43.7 Å²	43.7	59%	0.587	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.1	-173.4	0	0	0	0	0	114.1	L846	L846-A849 HydrophobicContact CD2-CB 4.39Å
850	L	83.7	Confident	86.8	Confident	64 Å²	64	41.4 Å²	41.4	34%	0.335	23%	0.228	S	C	.	.			trans	41	59.4	176.6	-59	174.7	0	0	0	114.8	F824 Y829 P840 L846 S847 E848	F824-L850 HydrophobicContact CE2-CD1 4.26Å; F824-L850 HydrophobicContact CZ-CD1 4.29Å; Y829-L850 HydrophobicContact CE2-CD2 3.83Å; Y829-L850 VanDerWaalsContact OH-CA 3.26Å; Y829-L850 WeakPolarHBondContact OH-CA 3.14Å; P840-L850 HydrophobicContact CG-CD2 3.91Å; L846-L850 PolarHBondContact O-N 3.46Å; S847-L850 WeakPolarHBondContact O-CD2 3.37Å; E848-L850 PolarHBondContact O-N 3.33Å
851	P	88.4	Confident	86.4	Confident	13 Å²	13	46 Å²	46	8%	0.084	24%	0.243	C	C	.	.			trans	-62.7	153	179.8	26.2	-33.8	0	0	0	112.5	Y829 L846 W853 V854 E872	Y829-P851 VanDerWaalsContact CE1-O 3.3Å; Y829-P851 WeakPolarHBondContact CE1-O 3.24Å; Y829-P851 WeakPolarHBondContact OH-CD 3.49Å; Y829-P851 PolarHBondContact OH-O 2.91Å; L846-P851 HydrophobicContact CD1-CG 4.16Å; L846-P851 HydrophobicContact CD2-CG 4.22Å; P851-W853 VanDerWaalsContact C-N 3.34Å; P851-W853 PolarHBondContact O-N 3.32Å; P851-V854 HydrophobicContact CB-CG1 4.47Å; P851-V854 HydrophobicContact CG-CG1 3.58Å; P851-E872 HydrophobicContact CB-CB 4.16Å; P851-E872 HydrophobicContact CB-CG 3.73Å; P851-E872 WeakPolarHBondContact CB-OE1 3.31Å; P851-E872 HydrophobicContact CG-CB 4.05Å; P851-E872 HydrophobicContact CG-CG 4.19Å
852	K	89.4	Confident	85.7	Confident	118 Å²	118	48 Å²	48	51%	0.513	26%	0.258	S	S	.	.	S	Bend	trans	-60.9	-39.6	-171.1	-173.2	179.7	179	-179.1	0	113.5	R823 F824	R823-K852 WeakPolarHBondContact CA-O 3.28Å; F824-K852 PolarHBondContact N-O 3.36Å
853	W	92.7	Very high	85.4	Confident	13 Å²	13	49.3 Å²	49.3	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	-178	-70.7	94.5	0	0	0	109.9	T821 R823 V832 P851 I873 L878 I891	T821-W853 HydrophobicContact CG2-CE3 3.76Å; T821-W853 HydrophobicContact CG2-CZ3 3.94Å; R823-W853 HydrophobicContact CB-CD2 4.34Å; R823-W853 HydrophobicContact CB-CE3 4.1Å; R823-W853 HydrophobicContact CB-CH2 4.39Å; R823-W853 HydrophobicContact CB-CZ3 4.14Å; R823-W853 HydrophobicContact CG-CD2 4.39Å; R823-W853 HydrophobicContact CG-CZ2 4.34Å; V832-W853 HydrophobicContact CG2-CH2 4.42Å; V832-W853 HydrophobicContact CG2-CZ3 3.7Å; P851-W853 VanDerWaalsContact C-N 3.34Å; P851-W853 PolarHBondContact O-N 3.32Å; W853-I873 HydrophobicContact CB-CD1 4.46Å; W853-I873 HydrophobicContact CB-CG1 3.96Å; W853-I873 WeakPolarHBondContact CB-O 3.44Å; W853-I873 PolarHBondContact O-N 3.23Å; W853-I873 VanDerWaalsContact O-N 3.13Å; W853-L878 HydrophobicContact CE3-CD1 4.22Å; W853-L878 HydrophobicContact CZ3-CD1 4.05Å; W853-I891 HydrophobicContact CZ2-CG2 4.32Å
854	V	94.2	Very high	85.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.2	-179.1	-62.6	0	0	0	0	111.4	A822 Y829 P851 M867 I870 I871	A822-V854 HydrophobicContact CB-CG2 3.86Å; A822-V854 PolarHBondContact N-O 2.92Å; A822-V854 PolarHBondContact O-N 3.45Å; Y829-V854 HydrophobicContact CD1-CG2 3.66Å; Y829-V854 HydrophobicContact CE1-CB 4.34Å; Y829-V854 HydrophobicContact CE1-CG1 3.92Å; Y829-V854 HydrophobicContact CE1-CG2 3.5Å; P851-V854 HydrophobicContact CB-CG1 4.47Å; P851-V854 HydrophobicContact CG-CG1 3.58Å; V854-M867 HydrophobicContact CG2-SD 4.25Å; V854-I870 HydrophobicContact CB-CG2 3.55Å; V854-I870 HydrophobicContact CG1-CG2 3.74Å; V854-I870 HydrophobicContact CG2-CG2 3.98Å; V854-I871 VanDerWaalsContact CA-O 3.28Å; V854-I871 WeakPolarHBondContact CA-O 3.46Å
855	I	93.8	Very high	85.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.2	164.3	-70.2	-177.1	0	0	0	108.5	T814 F817 H820 I870 I871 I873	T814-I855 HydrophobicContact CG2-CD1 3.74Å; F817-I855 HydrophobicContact CB-CG2 3.4Å; F817-I855 HydrophobicContact CG-CG2 4.44Å; H820-I855 WeakPolarHBondContact O-CA 3.3Å; I855-I870 CarbonylContact O-C 3.52Å; I855-I870 WeakPolarHBondContact O-CA 3.41Å; I855-I871 HydrophobicContact CB-CG2 3.97Å; I855-I871 HydrophobicContact CG2-CG2 4.48Å; I855-I871 PolarHBondContact N-O 2.94Å; I855-I871 PolarHBondContact O-N 3.12Å; I855-I873 HydrophobicContact CB-CG2 4.32Å; I855-I873 HydrophobicContact CD1-CD1 3.93Å; I855-I873 HydrophobicContact CD1-CG1 4.47Å; I855-I873 HydrophobicContact CD1-CG2 3.78Å; I855-I873 HydrophobicContact CG1-CD1 3.76Å; I855-I873 HydrophobicContact CG1-CG1 4.08Å; I855-I873 HydrophobicContact CG1-CG2 3.87Å
856	Y	92.7	Very high	85.6	Confident	13 Å²	13	52.1 Å²	52.1	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.6	175.6	58.8	-93.8	0	0	0	111.2	H820 A822 I838 L859 M867	H820-Y856 VanDerWaalsContact C-CE1 3.46Å; H820-Y856 HydrophobicContact CB-CD1 4.25Å; H820-Y856 HydrophobicContact CB-CD2 3.73Å; H820-Y856 HydrophobicContact CB-CE1 4.03Å; H820-Y856 HydrophobicContact CB-CE2 3.44Å; H820-Y856 VanDerWaalsContact CB-CE2 3.44Å; H820-Y856 HydrophobicContact CB-CG 4.12Å; H820-Y856 WeakPolarHBondContact CB-O 3.44Å; H820-Y856 AromaticContact CG-CE2 3.55Å; H820-Y856 AromaticContact ND1-CE2 3.84Å; H820-Y856 PolarHBondContact ND1-O 3.35Å; H820-Y856 WeakPolarHBondContact O-CD1 3.44Å; H820-Y856 WeakPolarHBondContact O-CE1 3.49Å; H820-Y856 PolarHBondContact O-N 3.37Å; H820-Y856 VanDerWaalsContact O-N 3.15Å; A822-Y856 HydrophobicContact CB-CD1 4.19Å; A822-Y856 HydrophobicContact CB-CE1 4.1Å; I838-Y856 HydrophobicContact CD1-CD1 4.15Å; I838-Y856 HydrophobicContact CD1-CE1 3.62Å; Y856-L859 HydrophobicContact CD2-CD2 4.05Å; Y856-L859 HydrophobicContact CD2-CG 4Å; Y856-L859 HydrophobicContact CE2-CD1 3.93Å; Y856-L859 HydrophobicContact CE2-CD2 3.84Å; Y856-L859 HydrophobicContact CE2-CG 3.45Å; Y856-L859 VanDerWaalsContact CE2-CG 3.45Å; Y856-M867 HydrophobicContact CD1-CG 3.83Å; Y856-M867 HydrophobicContact CD1-SD 3.6Å; Y856-M867 HydrophobicContact CE1-CG 4.49Å; Y856-M867 HydrophobicContact CE1-SD 4.32Å; Y856-M867 HydrophobicContact CG-CB 4.19Å; Y856-M867 HydrophobicContact CG-CG 3.86Å; Y856-M867 HydrophobicContact CG-SD 4.15Å
857	H	90	Very high	85.8	Confident	26 Å²	26	52 Å²	52	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-50.7	177.8	-176.5	68.3	0	0	0	111.7	F817 H820 R868 Q869	F817-H857 AromaticContact CE1-CE1 3.87Å; F817-H857 AromaticContact CE1-ND1 3.3Å; F817-H857 VanDerWaalsContact CE1-ND1 3.3Å; F817-H857 WeakPolarHBondContact CE1-ND1 3.44Å; F817-H857 AromaticContact CZ-CE1 3.58Å; F817-H857 AromaticContact CZ-ND1 3.2Å; F817-H857 WeakPolarHBondContact CZ-ND1 3.33Å; H820-H857 PolarHBondContact CE1-O 3.11Å; H820-H857 VanDerWaalsContact CE1-O 3.3Å; H820-H857 PolarHBondContact ND1-O 2.9Å; H857-R868 PolarHBondContact N-O 2.93Å; H857-Q869 HydrophobicContact CB-CB 3.68Å; H857-Q869 HydrophobicContact CB-CG 4.33Å; H857-Q869 PolarHBondContact N-O 2.94Å; H857-Q869 VanDerWaalsContact N-O 3.14Å
858	E	86.4	Confident	86.2	Confident	57 Å²	57	52.9 Å²	52.9	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.9	-177.7	63.5	178.4	-169.7	0	0	111.2	V860 R868	E858-V860 HydrophobicContact CG-CG2 4.07Å; E858-R868 HydrophobicContact CG-CB 3.89Å; E858-R868 PolarHBondContact O-N 3.06Å; E858-R868 VanDerWaalsContact OE1-CD 3.28Å; E858-R868 WeakPolarHBondContact OE1-CD 3.47Å; E858-R868 IonicContact OE1-NH1 2.76Å
859	L	86.4	Confident	86.7	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.5	167.1	-69.3	173.7	0	0	0	108.7	V576 I838 Y856 M867	V576-L859 HydrophobicContact CG1-CB 4.42Å; V576-L859 HydrophobicContact CG2-CB 4.17Å; V576-L859 HydrophobicContact CG2-CD1 3.85Å; I838-L859 HydrophobicContact CB-CD2 4.14Å; I838-L859 HydrophobicContact CD1-CD2 4.01Å; I838-L859 HydrophobicContact CG2-CD1 4.2Å; I838-L859 HydrophobicContact CG2-CD2 3.85Å; Y856-L859 HydrophobicContact CD2-CD2 4.05Å; Y856-L859 HydrophobicContact CD2-CG 4Å; Y856-L859 HydrophobicContact CE2-CD1 3.93Å; Y856-L859 HydrophobicContact CE2-CD2 3.84Å; Y856-L859 HydrophobicContact CE2-CG 3.45Å; Y856-L859 VanDerWaalsContact CE2-CG 3.45Å; L859-M867 HydrophobicContact CD2-CB 4.4Å; L859-M867 HydrophobicContact CD2-CG 3.62Å
860	V	81.6	Confident	87.3	Confident	27 Å²	27	42.8 Å²	42.8	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.8	175.7	-179.5	0	0	0	0	109.1	E858 T862 F866 R868	E858-V860 HydrophobicContact CG-CG2 4.07Å; V860-T862 HydrophobicContact CG1-CG2 4.22Å; V860-F866 PolarHBondContact N-O 2.72Å; V860-F866 PolarHBondContact O-N 3.16Å; V860-R868 HydrophobicContact CG2-CG 4.37Å
861	Y	80.4	Confident	87.8	Confident	118 Å²	118	39.8 Å²	39.8	46%	0.463	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.1	172.2	-170.9	-91.6	0	0	0	110.2	E865	Y861-E865 HydrophobicContact CD2-CG 3.77Å; Y861-E865 HydrophobicContact CE2-CG 4.43Å
862	T	74.7	Confident	88.1	Confident	76 Å²	76	42.4 Å²	42.4	47%	0.466	20%	0.202	S	C	.	.	S	Bend	trans	-126	-82.3	169.8	52	0	0	0	0	109.9	V860 K864 F866	V860-T862 HydrophobicContact CG1-CG2 4.22Å; T862-K864 PolarHBondContact N-O 3.38Å; T862-F866 WeakPolarHBondContact OG1-CD2 3.3Å; T862-F866 VanDerWaalsContact OG1-CE2 3.27Å; T862-F866 WeakPolarHBondContact OG1-CE2 3.36Å
863	T	77.9	Confident	88.2	Confident	112 Å²	112	37.1 Å²	37.1	69%	0.687	18%	0.179	S	C	*	.	S	Bend	trans	-101.3	-33.2	168	54.9	0	0	0	0	111.8
864	K	83.2	Confident	88.2	Confident	109 Å²	109	41.2 Å²	41.2	47%	0.474	20%	0.199	S	C	.	.	S	Bend	trans	-133.6	172.4	170	-60.1	-175.3	-173.9	-177.6	0	107.8	Y839 T862 F866	Y839-K864 HydrophobicContact CD2-CB 4.07Å; Y839-K864 HydrophobicContact CD2-CD 3.99Å; Y839-K864 HydrophobicContact CE2-CB 4.43Å; Y839-K864 HydrophobicContact CE2-CD 3.86Å; T862-K864 PolarHBondContact N-O 3.38Å; K864-F866 HydrophobicContact CB-CE2 4.08Å; K864-F866 HydrophobicContact CB-CZ 4.19Å; K864-F866 WeakPolarHBondContact O-CD2 3.43Å; K864-F866 PolarHBondContact O-N 2.75Å
865	E	85.8	Confident	87.9	Confident	32 Å²	32	42.8 Å²	42.8	15%	0.15	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	109.5	171.1	-66.9	-177.4	-177.3	0	0	109.9	H836 I838 Y839 Y861	H836-E865 IonicContact CD2-OE1 3.57Å; H836-E865 IonicContact CD2-OE2 3.23Å; H836-E865 PolarHBondContact CD2-OE2 3.26Å; H836-E865 IonicContact NE2-OE1 3.58Å; H836-E865 IonicContact NE2-OE2 2.69Å; I838-E865 HydrophobicContact CG2-CB 4.01Å; Y839-E865 PolarHBondContact N-O 3.44Å; Y861-E865 HydrophobicContact CD2-CG 3.77Å; Y861-E865 HydrophobicContact CE2-CG 4.43Å
866	F	88	Confident	87.7	Confident	30 Å²	30	50.1 Å²	50.1	13%	0.132	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	179.6	-68.4	-76.9	0	0	0	111.7	Y839 P840 H841 V860 T862 K864	Y839-F866 CarbonylContact O-C 3.58Å; Y839-F866 VanDerWaalsContact O-CA 3.24Å; Y839-F866 WeakPolarHBondContact O-CA 3.41Å; P840-F866 WeakPolarHBondContact O-CD1 3.44Å; H841-F866 HydrophobicContact CB-CB 4.1Å; V860-F866 PolarHBondContact N-O 2.72Å; V860-F866 PolarHBondContact O-N 3.16Å; T862-F866 WeakPolarHBondContact OG1-CD2 3.3Å; T862-F866 VanDerWaalsContact OG1-CE2 3.27Å; T862-F866 WeakPolarHBondContact OG1-CE2 3.36Å; K864-F866 HydrophobicContact CB-CE2 4.08Å; K864-F866 HydrophobicContact CB-CZ 4.19Å; K864-F866 WeakPolarHBondContact O-CD2 3.43Å; K864-F866 PolarHBondContact O-N 2.75Å
867	M	90.2	Very high	87.6	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.8	167.6	-64.9	179	-73.7	0	0	109.8	A822 Y829 I838 Y839 P840 H841 V854 Y856 L859 I870	A822-M867 HydrophobicContact CB-SD 3.86Å; Y829-M867 HydrophobicContact CD1-CE 4.32Å; Y829-M867 HydrophobicContact CD2-CE 3.57Å; Y829-M867 HydrophobicContact CE2-CE 4.27Å; Y829-M867 HydrophobicContact CG-CE 3.59Å; I838-M867 HydrophobicContact CB-CG 4.18Å; I838-M867 HydrophobicContact CD1-CG 3.74Å; I838-M867 HydrophobicContact CD1-SD 3.52Å; I838-M867 VanDerWaalsContact CD1-SD 3.52Å; I838-M867 HydrophobicContact CG1-CE 4.26Å; I838-M867 HydrophobicContact CG1-CG 4.11Å; I838-M867 HydrophobicContact CG1-SD 3.88Å; Y839-M867 PolarHBondContact O-N 3Å; P840-M867 HydrophobicContact CB-CE 4.35Å; H841-M867 WeakPolarHBondContact CB-O 3.45Å; H841-M867 PolarHBondContact N-O 3.28Å; V854-M867 HydrophobicContact CG2-SD 4.25Å; Y856-M867 HydrophobicContact CD1-CG 3.83Å; Y856-M867 HydrophobicContact CD1-SD 3.6Å; Y856-M867 HydrophobicContact CE1-CG 4.49Å; Y856-M867 HydrophobicContact CE1-SD 4.32Å; Y856-M867 HydrophobicContact CG-CB 4.19Å; Y856-M867 HydrophobicContact CG-CG 3.86Å; Y856-M867 HydrophobicContact CG-SD 4.15Å; L859-M867 HydrophobicContact CD2-CB 4.4Å; L859-M867 HydrophobicContact CD2-CG 3.62Å; M867-I870 HydrophobicContact CB-CD1 3.79Å; M867-I870 HydrophobicContact CB-CG1 4.03Å; M867-I870 HydrophobicContact CE-CD1 4.35Å
868	R	88.6	Confident	87.6	Confident	59 Å²	59	48.7 Å²	48.7	22%	0.223	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.1	171.6	-69.6	-177.4	172.6	-177.1	-1.9	110.9	H841 H857 E858 V860	H841-R868 HydrophobicContact CB-CG 4.19Å; H857-R868 PolarHBondContact N-O 2.93Å; E858-R868 HydrophobicContact CG-CB 3.89Å; E858-R868 PolarHBondContact O-N 3.06Å; E858-R868 VanDerWaalsContact OE1-CD 3.28Å; E858-R868 WeakPolarHBondContact OE1-CD 3.47Å; E858-R868 IonicContact OE1-NH1 2.76Å; V860-R868 HydrophobicContact CG2-CG 4.37Å
869	Q	90.4	Very high	87.6	Confident	17 Å²	17	48.5 Å²	48.5	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.6	81.4	179.6	-51.1	-54.8	-54.6	0	0	111.4	L717 N720 D747 H748 H857	L717-Q869 HydrophobicContact CD2-CB 4.07Å; L717-Q869 HydrophobicContact CD2-CG 3.85Å; N720-Q869 VanDerWaalsContact ND2-CG 3.29Å; N720-Q869 WeakPolarHBondContact ND2-CG 3.24Å; N720-Q869 PolarHBondContact ND2-NE2 3.22Å; D747-Q869 HydrophobicContact CB-CB 4.39Å; D747-Q869 VanDerWaalsContact CB-OE1 3.27Å; D747-Q869 VanDerWaalsContact OD2-CA 3.28Å; D747-Q869 WeakPolarHBondContact OD2-CA 3.41Å; H748-Q869 PolarHBondContact CE1-O 2.86Å; H857-Q869 HydrophobicContact CB-CB 3.68Å; H857-Q869 HydrophobicContact CB-CG 4.33Å; H857-Q869 PolarHBondContact N-O 2.94Å; H857-Q869 VanDerWaalsContact N-O 3.14Å
870	I	94.1	Very high	87.6	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.1	-171.5	-49.1	178.1	0	0	0	109	G746 D747 P840 L846 V854 I855 M867	G746-I870 CarbonylContact C-O 3.55Å; G746-I870 WeakPolarHBondContact CA-O 3.38Å; D747-I870 PolarHBondContact N-O 3.13Å; D747-I870 PolarHBondContact OD2-N 2.9Å; P840-I870 HydrophobicContact CB-CD1 3.44Å; P840-I870 VanDerWaalsContact CB-CD1 3.44Å; L846-I870 HydrophobicContact CB-CG2 4.46Å; L846-I870 HydrophobicContact CD1-CB 4.13Å; L846-I870 HydrophobicContact CD1-CG2 3.81Å; V854-I870 HydrophobicContact CB-CG2 3.55Å; V854-I870 HydrophobicContact CG1-CG2 3.74Å; V854-I870 HydrophobicContact CG2-CG2 3.98Å; I855-I870 CarbonylContact O-C 3.52Å; I855-I870 WeakPolarHBondContact O-CA 3.41Å; M867-I870 HydrophobicContact CB-CD1 3.79Å; M867-I870 HydrophobicContact CB-CG1 4.03Å; M867-I870 HydrophobicContact CE-CD1 4.35Å
871	I	94.6	Very high	87.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.1	172.5	-159.1	166.5	0	0	0	110.5	A745 H748 I749 R810 I813 V854 I855 I873	A745-I871 WeakPolarHBondContact O-CG1 3.45Å; H748-I871 HydrophobicContact CB-CD1 4.01Å; I749-I871 HydrophobicContact CG1-CD1 4.46Å; R810-I871 HydrophobicContact CB-CD1 4.5Å; R810-I871 HydrophobicContact CG-CD1 3.45Å; R810-I871 VanDerWaalsContact CG-CD1 3.45Å; R810-I871 HydrophobicContact CG-CG1 3.87Å; I813-I871 HydrophobicContact CD1-CD1 3.51Å; I813-I871 HydrophobicContact CG2-CG2 4.1Å; V854-I871 VanDerWaalsContact CA-O 3.28Å; V854-I871 WeakPolarHBondContact CA-O 3.46Å; I855-I871 HydrophobicContact CB-CG2 3.97Å; I855-I871 HydrophobicContact CG2-CG2 4.48Å; I855-I871 PolarHBondContact N-O 2.94Å; I855-I871 PolarHBondContact O-N 3.12Å; I871-I873 HydrophobicContact CG2-CG2 4.32Å
872	E	94.2	Very high	88.1	Confident	69 Å²	69	46 Å²	46	32%	0.322	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.7	175.2	178.1	178	-153.8	0	0	110.2	A745 R810 L846 P851	A745-E872 PolarHBondContact O-N 3.27Å; R810-E872 WeakPolarHBondContact CD-O 3.44Å; R810-E872 PolarHBondContact NH1-O 3.26Å; L846-E872 HydrophobicContact CD1-CB 4.47Å; P851-E872 HydrophobicContact CB-CB 4.16Å; P851-E872 HydrophobicContact CB-CG 3.73Å; P851-E872 WeakPolarHBondContact CB-OE1 3.31Å; P851-E872 HydrophobicContact CG-CB 4.05Å; P851-E872 HydrophobicContact CG-CG 4.19Å
873	I	93.2	Very high	88.5	Confident	7 Å²	7	46.6 Å²	46.6	4%	0.036	23%	0.232	C	C	.	.			trans	-128.3	155	176	60.1	149	0	0	0	112.5	T814 T821 W853 I855 I871 W877 L878	T814-I873 WeakPolarHBondContact OG1-CG2 3.37Å; T821-I873 HydrophobicContact CG2-CD1 4.16Å; W853-I873 HydrophobicContact CB-CD1 4.46Å; W853-I873 HydrophobicContact CB-CG1 3.96Å; W853-I873 WeakPolarHBondContact CB-O 3.44Å; W853-I873 PolarHBondContact O-N 3.23Å; W853-I873 VanDerWaalsContact O-N 3.13Å; I855-I873 HydrophobicContact CB-CG2 4.32Å; I855-I873 HydrophobicContact CD1-CD1 3.93Å; I855-I873 HydrophobicContact CD1-CG1 4.47Å; I855-I873 HydrophobicContact CD1-CG2 3.78Å; I855-I873 HydrophobicContact CG1-CD1 3.76Å; I855-I873 HydrophobicContact CG1-CG1 4.08Å; I855-I873 HydrophobicContact CG1-CG2 3.87Å; I871-I873 HydrophobicContact CG2-CG2 4.32Å; I873-W877 HydrophobicContact CB-CE3 3.98Å; I873-W877 HydrophobicContact CB-CZ3 4.09Å; I873-W877 HydrophobicContact CG2-CE3 4.28Å; I873-W877 HydrophobicContact CG2-CZ3 4.27Å; I873-L878 HydrophobicContact CD1-CD1 4.18Å; I873-L878 HydrophobicContact CD1-CD2 3.88Å; I873-L878 HydrophobicContact CD1-CG 4.03Å
874	E	91.7	Very high	88.8	Confident	98 Å²	98	46.6 Å²	46.6	46%	0.458	22%	0.224	S	C	.	.			trans	-87	138.1	165.5	-62.6	176.7	-160.1	0	0	110.4	K876 W877	E874-K876 PolarHBondContact O-N 3.44Å; E874-K876 VanDerWaalsContact O-N 3.15Å; E874-W877 HydrophobicContact CB-CD2 3.83Å; E874-W877 HydrophobicContact CB-CE3 4.31Å; E874-W877 HydrophobicContact CB-CG 4.21Å; E874-W877 HydrophobicContact CB-CH2 4.3Å; E874-W877 HydrophobicContact CB-CZ2 3.82Å; E874-W877 HydrophobicContact CG-CD2 4.44Å; E874-W877 HydrophobicContact CG-CH2 3.94Å; E874-W877 HydrophobicContact CG-CZ2 3.5Å; E874-W877 VanDerWaalsContact CG-CZ2 3.5Å; E874-W877 PolarHBondContact O-N 3.44Å; E874-W877 VanDerWaalsContact O-N 3.11Å; E874-W877 WeakPolarHBondContact OE1-CZ2 3.41Å; E874-W877 PolarHBondContact OE2-NE1 2.88Å
875	S	87.4	Confident	88.8	Confident	33 Å²	33	43.4 Å²	43.4	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-26.2	-175.8	70.4	0	0	0	0	113.8	W877 L878 I891	S875-W877 VanDerWaalsContact C-N 3.26Å; S875-W877 PolarHBondContact O-N 3.48Å; S875-L878 WeakPolarHBondContact O-CB 3.38Å; S875-L878 PolarHBondContact O-N 2.59Å; S875-I891 VanDerWaalsContact CB-CG2 3.46Å
876	K	90.2	Very high	88.8	Confident	154 Å²	154	42.1 Å²	42.1	67%	0.67	20%	0.203	S	C	*	.	H	α-helix	trans	-65.4	-28.9	178	-61	-179.4	-177.6	177.2	0	112.5	E874 L878 L879 E880	E874-K876 PolarHBondContact O-N 3.44Å; E874-K876 VanDerWaalsContact O-N 3.15Å; K876-L878 PolarHBondContact O-N 3.23Å; K876-L879 PolarHBondContact O-N 3.08Å; K876-E880 PolarHBondContact O-N 2.73Å
877	W	91.4	Very high	88.5	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.038	23%	0.228	C	C	.	.	H	α-helix	trans	-68.8	-25.8	-179.1	-54	-18.1	0	0	0	112	V807 R810 K811 T814 I873 E874 S875 L879 E880 V881	V807-W877 HydrophobicContact CG1-CH2 4.36Å; V807-W877 HydrophobicContact CG1-CZ2 3.86Å; R810-W877 HydrophobicContact CB-CH2 4.16Å; R810-W877 HydrophobicContact CB-CZ3 3.67Å; K811-W877 HydrophobicContact CG-CD2 3.97Å; K811-W877 HydrophobicContact CG-CE3 4.3Å; K811-W877 HydrophobicContact CG-CG 4.15Å; T814-W877 HydrophobicContact CG2-CB 4.41Å; I873-W877 HydrophobicContact CB-CE3 3.98Å; I873-W877 HydrophobicContact CB-CZ3 4.09Å; I873-W877 HydrophobicContact CG2-CE3 4.28Å; I873-W877 HydrophobicContact CG2-CZ3 4.27Å; E874-W877 HydrophobicContact CB-CD2 3.83Å; E874-W877 HydrophobicContact CB-CE3 4.31Å; E874-W877 HydrophobicContact CB-CG 4.21Å; E874-W877 HydrophobicContact CB-CH2 4.3Å; E874-W877 HydrophobicContact CB-CZ2 3.82Å; E874-W877 HydrophobicContact CG-CD2 4.44Å; E874-W877 HydrophobicContact CG-CH2 3.94Å; E874-W877 HydrophobicContact CG-CZ2 3.5Å; E874-W877 VanDerWaalsContact CG-CZ2 3.5Å; E874-W877 PolarHBondContact O-N 3.44Å; E874-W877 VanDerWaalsContact O-N 3.11Å; E874-W877 WeakPolarHBondContact OE1-CZ2 3.41Å; E874-W877 PolarHBondContact OE2-NE1 2.88Å; S875-W877 VanDerWaalsContact C-N 3.26Å; S875-W877 PolarHBondContact O-N 3.48Å; W877-L879 VanDerWaalsContact C-N 3.28Å; W877-L879 PolarHBondContact O-N 2.71Å; W877-E880 PolarHBondContact O-N 2.71Å; W877-V881 VanDerWaalsContact O-CB 3.24Å; W877-V881 WeakPolarHBondContact O-CB 3.4Å; W877-V881 WeakPolarHBondContact O-CG2 3.35Å; W877-V881 PolarHBondContact O-N 2.65Å
878	L	88.6	Confident	88	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-37.4	174.9	-62.5	172.1	0	0	0	111.7	T814 F818 T821 W853 I873 S875 K876 A882 Y886 I891	T814-L878 HydrophobicContact CG2-CD2 4.04Å; F818-L878 HydrophobicContact CB-CD2 4.32Å; T821-L878 HydrophobicContact CG2-CD1 3.89Å; T821-L878 HydrophobicContact CG2-CD2 4.33Å; W853-L878 HydrophobicContact CE3-CD1 4.22Å; W853-L878 HydrophobicContact CZ3-CD1 4.05Å; I873-L878 HydrophobicContact CD1-CD1 4.18Å; I873-L878 HydrophobicContact CD1-CD2 3.88Å; I873-L878 HydrophobicContact CD1-CG 4.03Å; S875-L878 WeakPolarHBondContact O-CB 3.38Å; S875-L878 PolarHBondContact O-N 2.59Å; K876-L878 PolarHBondContact O-N 3.23Å; L878-A882 CarbonylContact O-C 3.59Å; L878-A882 WeakPolarHBondContact O-CA 3.37Å; L878-A882 PolarHBondContact O-N 2.74Å; L878-Y886 HydrophobicContact CB-CD2 3.78Å; L878-Y886 HydrophobicContact CB-CE2 4.26Å; L878-Y886 HydrophobicContact CB-CG 4.16Å; L878-Y886 HydrophobicContact CD1-CE2 4.47Å; L878-Y886 HydrophobicContact CD2-CD2 4.19Å; L878-Y886 HydrophobicContact CD2-CE2 3.79Å; L878-Y886 HydrophobicContact CG-CD2 4.4Å; L878-Y886 HydrophobicContact CG-CE2 4.39Å; L878-I891 HydrophobicContact CB-CD1 3.99Å; L878-I891 HydrophobicContact CD1-CD1 4.44Å
879	L	88	Confident	87.4	Confident	52 Å²	52	60.2 Å²	60.2	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-73.4	-34.8	175	-64.1	169.5	0	0	0	112.1	K876 W877 P883 E888 I891	K876-L879 PolarHBondContact O-N 3.08Å; W877-L879 VanDerWaalsContact C-N 3.28Å; W877-L879 PolarHBondContact O-N 2.71Å; L879-P883 WeakPolarHBondContact O-CB 3.38Å; L879-P883 WeakPolarHBondContact O-CD 3.34Å; L879-E888 HydrophobicContact CD1-CG 3.82Å; L879-E888 HydrophobicContact CD2-CG 4.12Å; L879-I891 HydrophobicContact CD1-CD1 4.09Å; L879-I891 HydrophobicContact CD2-CD1 3.66Å; L879-I891 HydrophobicContact CG-CD1 3.52Å
880	E	86.2	Confident	86.6	Confident	82 Å²	82	62.5 Å²	62.5	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-38.5	177.2	-176.9	-175.6	162.9	0	0	112	K811 K876 W877	K811-E880 IonicContact NZ-OE1 2.74Å; K811-E880 PolarHBondContact NZ-OE1 3.02Å; K811-E880 IonicContact NZ-OE2 3.79Å; K811-E880 PolarHBondContact NZ-OE2 2.91Å; K876-E880 PolarHBondContact O-N 2.73Å; W877-E880 PolarHBondContact O-N 2.71Å
881	V	84.9	Confident	85.5	Confident	25 Å²	25	63 Å²	63	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-99	-33.9	-166.8	178	0	0	0	0	112.7	Y704 T814 A815 W877	Y704-V881 WeakPolarHBondContact OH-CG2 3.4Å; T814-V881 HydrophobicContact CG2-CG2 4.49Å; A815-V881 HydrophobicContact CB-CG1 3.36Å; W877-V881 VanDerWaalsContact O-CB 3.24Å; W877-V881 WeakPolarHBondContact O-CB 3.4Å; W877-V881 WeakPolarHBondContact O-CG2 3.35Å; W877-V881 PolarHBondContact O-N 2.65Å
882	A	86.3	Confident	84.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.331	C	S	.	.			trans	-138	61.6	179.9	0	0	0	0	0	111.9	F818 L878 H884 Y885 Y886	F818-A882 HydrophobicContact CB-CB 4.38Å; F818-A882 HydrophobicContact CD1-CB 4.14Å; F818-A882 HydrophobicContact CD2-CB 3.77Å; F818-A882 HydrophobicContact CE1-CB 4.41Å; F818-A882 HydrophobicContact CE2-CB 4.09Å; F818-A882 HydrophobicContact CG-CB 3.83Å; F818-A882 HydrophobicContact CZ-CB 4.42Å; L878-A882 CarbonylContact O-C 3.59Å; L878-A882 WeakPolarHBondContact O-CA 3.37Å; L878-A882 PolarHBondContact O-N 2.74Å; A882-H884 PolarHBondContact O-N 2.69Å; A882-Y885 PolarHBondContact O-N 3.29Å; A882-Y885 VanDerWaalsContact O-N 3.07Å; A882-Y886 HydrophobicContact CB-CD2 4.39Å; A882-Y886 PolarHBondContact O-N 3.5Å; A882-Y886 VanDerWaalsContact O-N 3.11Å
883	P	84.1	Confident	82.2	Confident	87 Å²	87	74.1 Å²	74.1	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.8	-179.4	25.1	-33.9	0	0	0	113.5	L879 Y885	L879-P883 WeakPolarHBondContact O-CB 3.38Å; L879-P883 WeakPolarHBondContact O-CD 3.34Å; P883-Y885 VanDerWaalsContact C-N 3.34Å
884	H	83.5	Confident	79.6	Confident	112 Å²	112	79.4 Å²	79.4	52%	0.519	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.9	176.6	58.5	-65.7	0	0	0	113.1	A668 A882	A668-H884 PolarHBondContact O-NE2 3.13Å; A882-H884 PolarHBondContact O-N 2.69Å
885	Y	84.3	Confident	77.2	Confident	43 Å²	43	80 Å²	80	17%	0.169	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-39.6	-174.8	-170	-93.1	0	0	0	112.9	A668 F818 Y819 K833 A882 P883	A668-Y885 HydrophobicContact CB-CD2 4.08Å; A668-Y885 HydrophobicContact CB-CE2 4.4Å; F818-Y885 HydrophobicContact CD2-CD1 4.08Å; F818-Y885 HydrophobicContact CD2-CG 4.26Å; F818-Y885 HydrophobicContact CE2-CD1 4.13Å; F818-Y885 HydrophobicContact CE2-CD2 4.23Å; F818-Y885 AromaticContact CE2-CG 3.89Å; F818-Y885 HydrophobicContact CE2-CG 3.89Å; Y819-Y885 HydrophobicContact CD2-CE1 4.46Å; Y819-Y885 AromaticContact CD2-CE2 3.86Å; Y819-Y885 HydrophobicContact CD2-CE2 3.86Å; Y819-Y885 AromaticContact CD2-CZ 3.65Å; Y819-Y885 WeakPolarHBondContact CD2-OH 3.41Å; Y819-Y885 AromaticContact CE2-CE2 3.71Å; Y819-Y885 HydrophobicContact CE2-CE2 3.71Å; Y819-Y885 AromaticContact CE2-CZ 3.64Å; Y819-Y885 WeakPolarHBondContact CE2-OH 3.26Å; K833-Y885 HydrophobicContact CD-CE1 4.36Å; K833-Y885 VanDerWaalsContact CE-CE1 3.42Å; K833-Y885 HydrophobicContact CG-CE1 3.97Å; K833-Y885 WeakPolarHBondContact CG-OH 3.48Å; K833-Y885 PolarHBondContact NZ-O 3.4Å; A882-Y885 PolarHBondContact O-N 3.29Å; A882-Y885 VanDerWaalsContact O-N 3.07Å; P883-Y885 VanDerWaalsContact C-N 3.34Å
886	Y	84.5	Confident	74.6	Confident	4 Å²	4	86.6 Å²	86.6	2%	0.016	42%	0.416	C	S	.	.			trans	-105.1	135.1	-179.9	-72.5	-69.2	0	0	0	111.9	F818 T821 V832 L878 A882	F818-Y886 HydrophobicContact CB-CE2 4.13Å; F818-Y886 HydrophobicContact CD2-CE2 4.03Å; F818-Y886 PolarHBondContact O-OH 3.46Å; T821-Y886 WeakPolarHBondContact CB-OH 3.5Å; T821-Y886 PolarHBondContact OG1-OH 2.97Å; V832-Y886 HydrophobicContact CB-CE1 4.05Å; V832-Y886 HydrophobicContact CG1-CD1 4.35Å; V832-Y886 HydrophobicContact CG1-CE1 3.79Å; V832-Y886 HydrophobicContact CG2-CE1 4.31Å; L878-Y886 HydrophobicContact CB-CD2 3.78Å; L878-Y886 HydrophobicContact CB-CE2 4.26Å; L878-Y886 HydrophobicContact CB-CG 4.16Å; L878-Y886 HydrophobicContact CD1-CE2 4.47Å; L878-Y886 HydrophobicContact CD2-CD2 4.19Å; L878-Y886 HydrophobicContact CD2-CE2 3.79Å; L878-Y886 HydrophobicContact CG-CD2 4.4Å; L878-Y886 HydrophobicContact CG-CE2 4.39Å; A882-Y886 HydrophobicContact CB-CD2 4.39Å; A882-Y886 PolarHBondContact O-N 3.5Å; A882-Y886 VanDerWaalsContact O-N 3.11Å
887	K	82.7	Confident	71.8	Confident	149 Å²	149	88.7 Å²	88.7	65%	0.648	43%	0.425	S	S	*	.			trans	-105.1	147.9	173.6	-64.1	178.2	-179.2	177.9	0	110	K889 E890	K887-K889 PolarHBondContact O-N 3.05Å; K887-K889 VanDerWaalsContact O-N 3.13Å; K887-E890 HydrophobicContact CB-CG 4.43Å; K887-E890 WeakPolarHBondContact O-CB 3.45Å; K887-E890 PolarHBondContact O-N 3.37Å
888	E	78.6	Confident	69.1	Low	135 Å²	135	94.3 Å²	94.3	63%	0.631	46%	0.46	S	S	*	.	H	α-helix	trans	-51.5	-40.3	179	-73.7	180	168.1	0	0	112.8	L879 E890 I891 E892	L879-E888 HydrophobicContact CD1-CG 3.82Å; L879-E888 HydrophobicContact CD2-CG 4.12Å; E888-E890 PolarHBondContact O-N 2.96Å; E888-I891 PolarHBondContact O-N 3.42Å; E888-I891 VanDerWaalsContact O-N 3.07Å; E888-E892 PolarHBondContact O-N 3.1Å
889	K	76.4	Confident	66.5	Low	185 Å²	185	98.7 Å²	98.7	80%	0.804	49%	0.491	S	S	*	.	H	α-helix	trans	-59.5	-29.2	177.7	-65.1	-175.7	-179.9	-179.8	0	114.5	K887 I891	K887-K889 PolarHBondContact O-N 3.05Å; K887-K889 VanDerWaalsContact O-N 3.13Å; K889-I891 VanDerWaalsContact C-N 3.35Å
890	E	74.2	Confident	63.9	Low	65 Å²	65	107.2 Å²	107.2	30%	0.304	52%	0.519	S	S	.	.	H	α-helix	trans	-79	-26	179.9	-62.6	179.5	167.9	0	0	111.5	K833 K887 E888	K833-E890 VanDerWaalsContact NZ-CD 3.27Å; K833-E890 IonicContact NZ-OE1 2.67Å; K833-E890 PolarHBondContact NZ-OE1 2.72Å; K833-E890 IonicContact NZ-OE2 3.12Å; K833-E890 PolarHBondContact NZ-OE2 3.32Å; K887-E890 HydrophobicContact CB-CG 4.43Å; K887-E890 WeakPolarHBondContact O-CB 3.45Å; K887-E890 PolarHBondContact O-N 3.37Å; E888-E890 PolarHBondContact O-N 2.96Å
891	I	71.1	Confident	61.5	Low	12 Å²	12	110.4 Å²	110.4	6%	0.062	54%	0.539	C	S	.	.	H	α-helix	trans	-92.5	-46.5	-176	-66.1	168.9	0	0	0	110.7	W853 S875 L878 L879 E888 K889 Y893	W853-I891 HydrophobicContact CZ2-CG2 4.32Å; S875-I891 VanDerWaalsContact CB-CG2 3.46Å; L878-I891 HydrophobicContact CB-CD1 3.99Å; L878-I891 HydrophobicContact CD1-CD1 4.44Å; L879-I891 HydrophobicContact CD1-CD1 4.09Å; L879-I891 HydrophobicContact CD2-CD1 3.66Å; L879-I891 HydrophobicContact CG-CD1 3.52Å; E888-I891 PolarHBondContact O-N 3.42Å; E888-I891 VanDerWaalsContact O-N 3.07Å; K889-I891 VanDerWaalsContact C-N 3.35Å; I891-Y893 VanDerWaalsContact C-N 3.27Å; I891-Y893 PolarHBondContact O-N 3.44Å; I891-Y893 VanDerWaalsContact O-N 3.07Å
892	E	65	Low	59.3	Low	146 Å²	146	118.7 Å²	118.7	68%	0.682	57%	0.573	S	S	*	*			trans	-84.5	66.4	176.4	-64.5	-164.5	161.3	0	0	111	E888 T894	E888-E892 PolarHBondContact O-N 3.1Å; E892-T894 PolarHBondContact O-N 3.34Å
893	Y	53.6	Low	57	Low	158 Å²	158	121.9 Å²	121.9	62%	0.62	61%	0.606	S	S	*	*			trans	-72.7	91.1	154.9	-122.4	-92.8	0	0	0	106.2	I891 T895	I891-Y893 VanDerWaalsContact C-N 3.27Å; I891-Y893 PolarHBondContact O-N 3.44Å; I891-Y893 VanDerWaalsContact O-N 3.07Å; Y893-T895 PolarHBondContact O-N 2.81Å
894	T	38.8	Very low	55.2	Low	117 Å²	117	125 Å²	125	72%	0.718	61%	0.611	S	S	*	*			trans	-41.2	119.7	160.6	2.7	0	0	0	0	105.7	E892 E896	E892-T894 PolarHBondContact O-N 3.34Å; T894-E896 PolarHBondContact O-N 3.06Å
895	T	40.5	Very low	53.6	Low	111 Å²	111	122.8 Å²	122.8	68%	0.681	61%	0.608	S	S	*	*			trans	-48.2	104.2	157.4	40.7	0	0	0	0	104.2	Y893 K897	Y893-T895 PolarHBondContact O-N 2.81Å; T895-K897 PolarHBondContact O-N 2.97Å
896	E	33.4	Very low	52	Low	172 Å²	172	130.2 Å²	130.2	80%	0.804	64%	0.636	S	S	*	*			trans	-50	105.3	159.3	-78.3	-174	162.9	0	0	102	T894 V898	T894-E896 PolarHBondContact O-N 3.06Å; E896-V898 PolarHBondContact O-N 3.02Å
897	K	31.4	Very low	50.7	Low	197 Å²	197	134 Å²	134	86%	0.857	67%	0.667	S	S	*	*			trans	-54	102.8	172.8	-83.3	175.5	174.3	172	0	101.2	T895 S899	T895-K897 PolarHBondContact O-N 2.97Å; K897-S899 PolarHBondContact O-N 3.47Å
898	V	34	Very low	49.4	Very low	129 Å²	129	132.8 Å²	132.8	78%	0.782	66%	0.664	S	S	*	*			trans	-44.2	107	165.5	175.5	0	0	0	0	101.6	E896 R900	E896-V898 PolarHBondContact O-N 3.02Å; V898-R900 VanDerWaalsContact C-N 3.25Å; V898-R900 PolarHBondContact O-N 3.47Å
899	S	34	Very low	48	Very low	92 Å²	92	132.5 Å²	132.5	64%	0.643	67%	0.666	S	S	*	*			trans	-49.4	108.1	-179	170.3	0	0	0	0	102.2	K897 N901	K897-S899 PolarHBondContact O-N 3.47Å; S899-N901 PolarHBondContact O-N 3.16Å
900	R	33.7	Very low	46.4	Very low	230 Å²	230	129.6 Å²	129.6	87%	0.868	66%	0.656	S	S	*	*			trans	-59.9	97.8	177.2	-90.2	-179.6	162.8	178.7	-4.9	101.3	V898 K902	V898-R900 VanDerWaalsContact C-N 3.25Å; V898-R900 PolarHBondContact O-N 3.47Å; R900-K902 PolarHBondContact O-N 3.31Å
901	N	36.2	Very low	45.4	Very low	149 Å²	149	132 Å²	132	80%	0.797	68%	0.677	S	S	*	*			trans	-45.1	106.3	169.4	-87.9	-18.8	0	0	0	102.6	S899 G903	S899-N901 PolarHBondContact O-N 3.16Å; N901-G903 PolarHBondContact O-N 2.94Å
902	K	38.3	Very low	44.3	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	72%	0.715	S	S	*	*			trans	-54.3	104.1	179.4	-87.2	177.8	170.6	178.6	0	103.1	R900 K904	R900-K902 PolarHBondContact O-N 3.31Å; K902-K904 PolarHBondContact O-N 3.3Å
903	G	37.8	Very low	43.4	Very low	68 Å²	68	140 Å²	140	70%	0.701	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.2	175.9	0	0	0	0	0	104.8	N901 S905	N901-G903 PolarHBondContact O-N 2.94Å; G903-S905 PolarHBondContact O-N 3.19Å
904	K	47.3	Very low	43	Very low	152 Å²	152	136.3 Å²	136.3	66%	0.661	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-48	121.5	173.8	-72.9	-170.5	171.6	-175.7	0	106.8	K902 E908	K902-K904 PolarHBondContact O-N 3.3Å; K904-E908 HydrophobicContact CB-CB 4.38Å; K904-E908 VanDerWaalsContact CB-OE2 3.27Å; K904-E908 WeakPolarHBondContact CB-OE2 3.43Å; K904-E908 WeakPolarHBondContact CD-OE2 3.19Å; K904-E908 WeakPolarHBondContact CG-OE2 3.4Å
905	S	49	Very low	43.1	Very low	66 Å²	66	141 Å²	141	46%	0.462	76%	0.762	S	S	.	*	P	Polyproline II helix	trans	-58.4	147.5	-176.1	69.2	0	0	0	0	108.7	G903 A907 E908	G903-S905 PolarHBondContact O-N 3.19Å; S905-A907 PolarHBondContact O-N 2.83Å; S905-E908 WeakPolarHBondContact O-CB 3.27Å; S905-E908 PolarHBondContact O-N 3.35Å
906	R	50.9	Low	43.2	Very low	199 Å²	199	142.5 Å²	142.5	75%	0.751	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-51.3	-27.7	-178.2	-178.7	175.4	166.1	167.8	-1.4	113.3	E908 L909 E910	R906-E908 VanDerWaalsContact C-N 3.25Å; R906-E908 PolarHBondContact O-N 3.38Å; R906-L909 PolarHBondContact O-N 3.05Å; R906-L909 VanDerWaalsContact O-N 3.1Å; R906-E910 IonicContact NE-OE1 3.77Å; R906-E910 PolarHBondContact O-N 3Å
907	A	58.3	Low	43.8	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-63.8	-24.9	174.4	0	0	0	0	0	114.1	S905 L909	S905-A907 PolarHBondContact O-N 2.83Å; A907-L909 VanDerWaalsContact C-N 3.32Å
908	E	54.6	Low	44.4	Very low	124 Å²	124	137.8 Å²	137.8	58%	0.579	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.5	174.9	-66.4	177.8	-164	0	0	113.1	K904 S905 R906	K904-E908 HydrophobicContact CB-CB 4.38Å; K904-E908 VanDerWaalsContact CB-OE2 3.27Å; K904-E908 WeakPolarHBondContact CB-OE2 3.43Å; K904-E908 WeakPolarHBondContact CD-OE2 3.19Å; K904-E908 WeakPolarHBondContact CG-OE2 3.4Å; S905-E908 WeakPolarHBondContact O-CB 3.27Å; S905-E908 PolarHBondContact O-N 3.35Å; R906-E908 VanDerWaalsContact C-N 3.25Å; R906-E908 PolarHBondContact O-N 3.38Å
909	L	49.8	Very low	45.1	Very low	129 Å²	129	138.4 Å²	138.4	68%	0.675	76%	0.757	S	S	*	*	S	Bend	trans	-107.5	-3.1	-177.1	-70.5	169.7	0	0	0	113.1	R906 A907	R906-L909 PolarHBondContact O-N 3.05Å; R906-L909 VanDerWaalsContact O-N 3.1Å; A907-L909 VanDerWaalsContact C-N 3.32Å
910	E	43.1	Very low	45.7	Very low	124 Å²	124	141.3 Å²	141.3	58%	0.579	76%	0.764	S	S	*	*	S	Bend	trans	-80.6	123.2	175.4	-74.6	-175.9	180	0	0	109.8	R906 T912	R906-E910 IonicContact NE-OE1 3.77Å; R906-E910 PolarHBondContact O-N 3Å; E910-T912 PolarHBondContact O-N 3.29Å
911	P	51.8	Low	46.6	Very low	116 Å²	116	135.3 Å²	135.3	75%	0.753	76%	0.757	S	S	*	*			trans	-67.6	125.6	-175.5	5	4.4	0	0	0	109	E913	P911-E913 PolarHBondContact O-N 2.94Å
912	T	49.5	Very low	47.3	Very low	140 Å²	140	134.4 Å²	134.4	86%	0.859	76%	0.755	S	S	*	*			trans	-54.8	106	165.6	44.3	0	0	0	0	108.7	E910 G914	E910-T912 PolarHBondContact O-N 3.29Å; T912-G914 PolarHBondContact O-N 3.28Å; T912-G914 VanDerWaalsContact O-N 3.16Å
913	E	46.2	Very low	48	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	75%	0.746	S	S	*	*			trans	-59.3	114.8	171.8	-71.1	-177.9	155.3	0	0	108.4	P911 V915	P911-E913 PolarHBondContact O-N 2.94Å; E913-V915 PolarHBondContact O-N 3.42Å
914	G	44.2	Very low	48.8	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	75%	0.75	S	S	*	*			trans	-68.4	120.4	170.7	0	0	0	0	0	109.7	T912	T912-G914 PolarHBondContact O-N 3.28Å; T912-G914 VanDerWaalsContact O-N 3.16Å
915	V	41.5	Very low	49	Very low	215 Å²	215	132.9 Å²	132.9	100%	1.303	76%	0.758	S	S	*	*			trans	-104.3	0	151.8	178	0	0	0	0	107.4	E913	E913-V915 PolarHBondContact O-N 3.42Å

Retrieved 915 of 915 residues in 1042 ms (Link to these results)

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