G4LVD3_SCHMA Loading...

Pentatricopeptide repeat-containing protein

AlphaFold DB , UniProt , Accession G4LVD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 902 aa.

						>G4LVD3_SCHMA|G4LVD3
MLRYSCITHASSITRNSLFKTYFPKLSSLNLKEEKNSLDVNPPLKRYRNSTSVIRALISCVQPVPEAPIFDLGPDFSRLPTARTRLCMLSKAKGRLAARVSARDFFPNDITALGTEAPLISRWIPIQTPDNILKRAVEGSLSNDEAMDRLILLLAPEHSWKLYKEIAPDYKWTSNTLHRLLDLLCVTNGGRGGFHSHVLLNNYNWSNLPDPDEIYITHRFDITTTSNHDKQIITNRNELENTTNDEINDEFTGDSISLVEESNNWDLDTPAEKLFHKEYNILNTPAGYRSMIRGAARFGNADRAFELTKLVWESKHDDKYLDLATYNQLIRSLHQLTIVMRGEEKLWNVIVNILEHVKTCGDPINISIFTNILYTLAHASAKMKYSMSSTLHLSDENYVSIGLGLLNELKRLNFKPELGTLANLLFLINETPAPLNRSSTSTITRSMINKQNNNNNLVNDHTDYSSYTCSNLLNELLNEIEIYFNNNNSGIGRSPQRFDAWTIDDYMFFPIAMKCAMNELNVKLGQKIHNLLIHHEDRTFLLPNIRMKRSYLHDYCKLMIQLNESDLNEFNQLIQRFNTTYCQYFDVVLPSNNLLATLVRNYDRILRLCDSYTVQKLKIPSRKKTYNQQHIHSIKLTTYSYLCRILDDLLNIEFSHYLRVNPNIIERITHIVYKWATINPKDALEMSMKIINALKRSDNLIKTINDVSTTTGSHYDVNRLKIDQSTVKKYDKLVKFMIIESTKLCFPIFDQLSVEYNSNNKTNREEYLTWKTKLVNTLYDWFSYADSHNMITWEWATKGLYILLKEDDFIQLDFMWNVMQCLVKQDVEFKVCVKEQRDLLEPVLNILEQSISKISRQDIESTEKLECLQFLREALRATESANMLPLYSSTSNPVEIRTHDSQ
					

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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	27.8	Very low	25.7	Very low	195 Å²	195	118.4 Å²	118.4	96%	0.961	62%	0.619	S	S	*	*				0	88.3	0	-84.1	-170.3	168.5	0	0	111.1	S121	M1-S121 PolarHBondContact N-O 3.05Å; M1-S121 PolarHBondContact N-OG 3.37Å
2	L	24.1	Very low	25.8	Very low	91 Å²	91	115.6 Å²	115.6	48%	0.476	62%	0.617	S	S	.	*			trans	-107.9	125.4	159.6	-93	168.7	0	0	0	105.7	Y4 R122	L2-Y4 HydrophobicContact CB-CD2 4.34Å; L2-Y4 HydrophobicContact CB-CE2 4.47Å; L2-Y4 HydrophobicContact CD1-CE2 4.38Å; L2-Y4 PolarHBondContact O-N 2.74Å; L2-R122 VanDerWaalsContact CD1-NH2 3.3Å
3	R	22.7	Very low	26	Very low	242 Å²	242	117.1 Å²	117.1	91%	0.913	62%	0.623	S	S	*	*			trans	-63.2	89.8	166.4	-72.5	178.5	178.2	176.2	-1.7	107.6	S5	R3-S5 PolarHBondContact O-N 3.25Å
4	Y	26.1	Very low	26.2	Very low	168 Å²	168	113.1 Å²	113.1	66%	0.659	61%	0.606	S	S	*	*			trans	-75.2	79.5	153.5	-86.5	-82.8	0	0	0	105.9	L2 C6	L2-Y4 HydrophobicContact CB-CD2 4.34Å; L2-Y4 HydrophobicContact CB-CE2 4.47Å; L2-Y4 HydrophobicContact CD1-CE2 4.38Å; L2-Y4 PolarHBondContact O-N 2.74Å; Y4-C6 PolarHBondContact O-N 3.08Å
5	S	24.1	Very low	26.3	Very low	88 Å²	88	118.5 Å²	118.5	62%	0.615	61%	0.614	S	S	*	*			trans	-60.3	121.8	162.6	48.8	0	0	0	0	106.8	R3 I7	R3-S5 PolarHBondContact O-N 3.25Å; S5-I7 PolarHBondContact O-N 3.37Å
6	C	25.4	Very low	26.6	Very low	82 Å²	82	121.6 Å²	121.6	55%	0.554	63%	0.631	S	S	*	*			trans	-43	106.9	166.9	-57.1	0	0	0	0	109.1	Y4 T8	Y4-C6 PolarHBondContact O-N 3.08Å; C6-T8 PolarHBondContact O-N 2.75Å
7	I	24.5	Very low	26.8	Very low	154 Å²	154	118.5 Å²	118.5	79%	0.79	62%	0.623	S	S	*	*			trans	-78.1	73.5	167	-58.2	176.5	0	0	0	105.3	S5	S5-I7 PolarHBondContact O-N 3.37Å
8	T	28	Very low	26.9	Very low	50 Å²	50	119.4 Å²	119.4	31%	0.307	63%	0.628	S	S	.	*	S	Bend	trans	-119.2	97.1	163	47.9	0	0	0	0	105.2	C6 V186	C6-T8 PolarHBondContact O-N 2.75Å; T8-V186 HydrophobicContact CG2-CG1 4.37Å
9	H	28.9	Very low	27	Very low	79 Å²	79	123.4 Å²	123.4	37%	0.366	64%	0.64	S	S	.	*	S	Bend	trans	49.5	73.8	174.6	-69.6	-89.7	0	0	0	116	A324 Q328	H9-A324 HydrophobicContact CB-CB 4.08Å; H9-Q328 PolarHBondContact CD2-NE2 3.31Å; H9-Q328 PolarHBondContact NE2-NE2 3.01Å
10	A	25.3	Very low	27.1	Very low	79 Å²	79	127.2 Å²	127.2	65%	0.653	65%	0.651	S	S	*	*			trans	-131.5	45.9	156.8	0	0	0	0	0	110.7
11	S	26	Very low	27.2	Very low	74 Å²	74	125.7 Å²	125.7	52%	0.517	65%	0.648	S	S	.	*			trans	-98.4	67.5	168.5	50.1	0	0	0	0	110.5	N365	S11-N365 PolarHBondContact O-ND2 2.96Å
12	S	27.1	Very low	27.3	Very low	85 Å²	85	127.4 Å²	127.4	59%	0.594	65%	0.645	S	S	*	*			trans	-151.6	-3.7	159.7	58.5	0	0	0	0	113.6	T14	S12-T14 PolarHBondContact O-N 3.23Å
13	I	28.4	Very low	27.6	Very low	135 Å²	135	132.4 Å²	132.4	69%	0.692	66%	0.664	S	S	*	*	S	Bend	trans	-94.4	90.2	178.9	-58.3	-179.3	0	0	0	109.3
14	T	29.1	Very low	28.1	Very low	62 Å²	62	125.7 Å²	125.7	38%	0.38	65%	0.651	S	S	.	*			trans	82.5	67.7	142.7	69.6	0	0	0	0	119.1	S12 N16 S17	S12-T14 PolarHBondContact O-N 3.23Å; T14-N16 VanDerWaalsContact C-N 3.27Å; T14-S17 VanDerWaalsContact CB-OG 3.26Å; T14-S17 WeakPolarHBondContact CB-OG 3.25Å; T14-S17 WeakPolarHBondContact CG2-OG 3.14Å
15	R	27.9	Very low	28.3	Very low	194 Å²	194	127.8 Å²	127.8	73%	0.732	66%	0.664	S	S	*	*	S	Bend	trans	-83.5	4	149.4	-113.1	178.3	-178.2	166.8	-0.5	113.8	D499	R15-D499 IonicContact NH2-OD1 2.85Å
16	N	30.2	Very low	28.7	Very low	167 Å²	167	130.3 Å²	130.3	89%	0.893	67%	0.67	S	S	*	*	S	Bend	trans	-130.3	9.3	-179.2	-86.5	-17.3	0	0	0	117	T14	T14-N16 VanDerWaalsContact C-N 3.27Å
17	S	30	Very low	28.9	Very low	69 Å²	69	131.8 Å²	131.8	48%	0.483	68%	0.681	S	S	.	*	S	Bend	trans	-135.2	6.6	-179.1	66.7	0	0	0	0	118.3	T14	T14-S17 VanDerWaalsContact CB-OG 3.26Å; T14-S17 WeakPolarHBondContact CB-OG 3.25Å; T14-S17 WeakPolarHBondContact CG2-OG 3.14Å
18	L	28.6	Very low	29.4	Very low	136 Å²	136	129.5 Å²	129.5	71%	0.712	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	13.3	170.1	-79	170.2	0	0	0	114.8
19	F	29.2	Very low	29.7	Very low	195 Å²	195	134.4 Å²	134.4	86%	0.855	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	13.4	172.7	-89.7	-77.6	0	0	0	114.7
20	K	29.7	Very low	30.2	Very low	198 Å²	198	137.6 Å²	137.6	86%	0.861	72%	0.722	S	S	*	*	S	Bend	trans	-118.4	1	-178.1	-106	-178.8	179.4	178.6	0	117.3
21	T	28.9	Very low	30.7	Very low	97 Å²	97	142 Å²	142	60%	0.595	73%	0.733	S	S	*	*	S	Bend	trans	-148.2	78.4	-179	50.5	0	0	0	0	110.1
22	Y	29	Very low	31.6	Very low	231 Å²	231	147.2 Å²	147.2	91%	0.906	75%	0.747	S	S	*	*	S	Bend	trans	176.6	51.2	150.6	-85.8	-63.8	0	0	0	108.7
23	F	30.3	Very low	32.2	Very low	196 Å²	196	152.1 Å²	152.1	86%	0.86	76%	0.76	S	S	*	*			trans	-120.4	117.4	150.7	-86.7	-82.5	0	0	0	105.5	K25	F23-K25 PolarHBondContact O-N 3.08Å
24	P	33.1	Very low	32.9	Very low	100 Å²	100	154.3 Å²	154.3	65%	0.649	77%	0.768	S	S	*	*			trans	-62.4	136.2	167.1	28.9	-29.3	0	0	0	106.6	L26	P24-L26 PolarHBondContact O-N 2.74Å
25	K	31.8	Very low	33.6	Very low	212 Å²	212	160.3 Å²	160.3	92%	0.922	79%	0.788	S	S	*	*	S	Bend	trans	-35.1	99.8	165.5	-75.3	171.4	170.3	176.7	0	110.4	F23	F23-K25 PolarHBondContact O-N 3.08Å
26	L	30.6	Very low	34.3	Very low	141 Å²	141	159.2 Å²	159.2	74%	0.738	80%	0.797	S	S	*	*			trans	-145.9	58.8	170.3	-101	156	0	0	0	107.3	P24	P24-L26 PolarHBondContact O-N 2.74Å
27	S	31.1	Very low	35.3	Very low	114 Å²	114	155 Å²	155	80%	0.797	78%	0.781	S	S	*	*	S	Bend	trans	-149.4	68.2	168	47.2	0	0	0	0	108.8
28	S	33.6	Very low	36.6	Very low	105 Å²	105	160.5 Å²	160.5	73%	0.734	80%	0.804	S	S	*	*			trans	164.8	55.2	151.7	64.6	0	0	0	0	110.4
29	L	36	Very low	38.1	Very low	154 Å²	154	159.9 Å²	159.9	81%	0.806	80%	0.801	S	S	*	*			trans	-89.5	101	154.9	-89.9	161.6	0	0	0	105.5	L31	L29-L31 PolarHBondContact O-N 2.82Å
30	N	39	Very low	39.9	Very low	145 Å²	145	157 Å²	157	78%	0.775	80%	0.799	S	S	*	*			trans	-46.8	110.3	170.1	-71.5	-34.9	0	0	0	108.5	K32	N30-K32 VanDerWaalsContact C-N 3.26Å; N30-K32 PolarHBondContact O-N 3.42Å
31	L	34.2	Very low	42.1	Very low	171 Å²	171	154.4 Å²	154.4	90%	0.895	80%	0.795	S	S	*	*			trans	-57.5	95.9	160.9	-83.4	150.9	0	0	0	106.6	L29 E33	L29-L31 PolarHBondContact O-N 2.82Å; L31-E33 PolarHBondContact O-N 2.83Å
32	K	45.8	Very low	44.4	Very low	185 Å²	185	155 Å²	155	80%	0.804	80%	0.801	S	S	*	*			trans	-74	115.2	155.9	-79.9	-173.4	174.3	-176.6	0	106	N30 E34	N30-K32 VanDerWaalsContact C-N 3.26Å; N30-K32 PolarHBondContact O-N 3.42Å; K32-E34 PolarHBondContact O-N 3.49Å
33	E	40	Very low	47	Very low	188 Å²	188	150 Å²	150	88%	0.879	80%	0.796	S	S	*	*			trans	-57	100.5	170.2	-66.2	174.7	151	0	0	109.6	L31	L31-E33 PolarHBondContact O-N 2.83Å
34	E	42.8	Very low	49.5	Very low	180 Å²	180	148.6 Å²	148.6	84%	0.841	80%	0.797	S	S	*	*			trans	-115.8	93.8	162.6	-86.2	-173.8	166.9	0	0	109.7	K32	K32-E34 PolarHBondContact O-N 3.49Å
35	K	44.3	Very low	51.9	Low	188 Å²	188	152.2 Å²	152.2	82%	0.817	80%	0.802	S	S	*	*			trans	22.4	108.8	137.2	-64.3	177.7	178.4	176.2	0	117.1	S37	K35-S37 PolarHBondContact O-N 3.42Å
36	N	42.5	Very low	54.1	Low	171 Å²	171	152.2 Å²	152.2	91%	0.914	80%	0.797	S	S	*	*			trans	48.9	65.4	137.1	-62.4	-8.3	0	0	0	117.4
37	S	50.8	Low	56.2	Low	80 Å²	80	156 Å²	156	56%	0.559	80%	0.802	S	S	*	*			trans	-116.6	140	147.7	65.2	0	0	0	0	109.1	K35 D39	K35-S37 PolarHBondContact O-N 3.42Å; S37-D39 WeakPolarHBondContact CB-OD2 3.28Å; S37-D39 PolarHBondContact O-N 3.29Å; S37-D39 PolarHBondContact OG-OD2 3.02Å
38	L	57	Low	58.2	Low	184 Å²	184	159.2 Å²	159.2	96%	0.963	80%	0.797	S	S	*	*			trans	-68	39.1	171.8	-88.6	150.3	0	0	0	111.5	V40	L38-V40 PolarHBondContact O-N 3.16Å
39	D	60.8	Low	60.3	Low	123 Å²	123	158.9 Å²	158.9	66%	0.658	79%	0.787	S	S	*	*			trans	-83.4	105.2	-177.8	-82.9	-40.2	0	0	0	110.2	S37 N41	S37-D39 WeakPolarHBondContact CB-OD2 3.28Å; S37-D39 PolarHBondContact O-N 3.29Å; S37-D39 PolarHBondContact OG-OD2 3.02Å; D39-N41 PolarHBondContact O-N 3.38Å
40	V	67.4	Low	62.3	Low	133 Å²	133	156.7 Å²	156.7	81%	0.806	79%	0.785	S	S	*	*			trans	-66	103.5	169.7	-179.7	0	0	0	0	108	L38	L38-V40 PolarHBondContact O-N 3.16Å
41	N	75.3	Confident	64.2	Low	145 Å²	145	152.1 Å²	152.1	78%	0.775	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.5	125.9	170	-80.2	-40.4	0	0	0	109.6	D39	D39-N41 PolarHBondContact O-N 3.38Å
42	P	77.6	Confident	66.1	Low	110 Å²	110	145.7 Å²	145.7	71%	0.714	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-62.4	141.1	179.2	25.1	-33	0	0	0	110
43	P	82	Confident	67.7	Low	124 Å²	124	140.4 Å²	140.4	81%	0.805	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63.7	140.5	179.9	26.1	-33.7	0	0	0	110.9	K45	P43-K45 PolarHBondContact O-N 3.2Å
44	L	84.3	Confident	69.4	Low	168 Å²	168	136.3 Å²	136.3	88%	0.88	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-59.6	129.4	172.4	-66.9	174.7	0	0	0	110.2	R46	L44-R46 PolarHBondContact O-N 3.49Å
45	K	82	Confident	70.7	Confident	176 Å²	176	134 Å²	134	77%	0.765	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.7	174.9	-172.6	175.5	-178.1	176.1	0	109.5	P43 Y47	P43-K45 PolarHBondContact O-N 3.2Å; K45-Y47 PolarHBondContact O-N 3.1Å
46	R	78.8	Confident	72.2	Confident	212 Å²	212	127.4 Å²	127.4	80%	0.8	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-72.2	121.7	173.5	-66	-175.3	-179.5	-177.7	1.5	109.6	L44	L44-R46 PolarHBondContact O-N 3.49Å
47	Y	75.5	Confident	73.9	Confident	219 Å²	219	124.6 Å²	124.6	86%	0.859	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-77.9	125.3	170.9	-76.1	-89.6	0	0	0	110.1	K45	K45-Y47 PolarHBondContact O-N 3.1Å
48	R	73.5	Confident	75	Confident	183 Å²	183	126.2 Å²	126.2	69%	0.691	65%	0.647	S	S	*	*			trans	-113	131	175.6	-71.4	-177.9	-176.1	173.8	0.9	108.1	S52	R48-S52 WeakPolarHBondContact CB-OG 3.48Å
49	N	76.2	Confident	75.7	Confident	97 Å²	97	122 Å²	122	52%	0.519	63%	0.634	S	S	.	*			trans	-67.7	150.4	166.2	-171.7	-15.1	0	0	0	108.6	T51 S52	N49-T51 PolarHBondContact O-N 3.04Å; N49-S52 PolarHBondContact N-OG 3.15Å; N49-S52 WeakPolarHBondContact O-CB 3.4Å; N49-S52 PolarHBondContact O-N 3.07Å; N49-S52 PolarHBondContact O-OG 2.76Å
50	S	79.4	Confident	76.5	Confident	108 Å²	108	121.3 Å²	121.3	76%	0.755	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-27.9	178.4	57.1	0	0	0	0	113.3
51	T	77.8	Confident	76.8	Confident	50 Å²	50	120.1 Å²	120.1	31%	0.307	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-1.2	179	53.9	0	0	0	0	114.3	N49 V53 I54 R55	N49-T51 PolarHBondContact O-N 3.04Å; T51-V53 PolarHBondContact O-N 2.72Å; T51-I54 PolarHBondContact O-N 3.08Å; T51-R55 WeakPolarHBondContact O-CG 3.47Å; T51-R55 PolarHBondContact O-N 3.43Å
52	S	74.2	Confident	76.2	Confident	36 Å²	36	120.6 Å²	120.6	25%	0.252	63%	0.627	S	S	.	*	H	α-helix	trans	-65.4	-40.7	-172.4	58.9	0	0	0	0	113.7	R48 N49 R55 A56	R48-S52 WeakPolarHBondContact CB-OG 3.48Å; N49-S52 PolarHBondContact N-OG 3.15Å; N49-S52 WeakPolarHBondContact O-CB 3.4Å; N49-S52 PolarHBondContact O-N 3.07Å; N49-S52 PolarHBondContact O-OG 2.76Å; S52-R55 PolarHBondContact O-N 2.9Å; S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.88Å
53	V	79	Confident	75.5	Confident	74 Å²	74	119.9 Å²	119.9	45%	0.448	62%	0.623	S	S	.	*	H	α-helix	trans	-65	-44.2	177.1	178.2	0	0	0	0	110.5	T51 R55 A56 L57	T51-V53 PolarHBondContact O-N 2.72Å; V53-R55 PolarHBondContact O-N 3.06Å; V53-A56 PolarHBondContact O-N 3.4Å; V53-L57 HydrophobicContact CG1-CD1 4.12Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 2.85Å
54	I	77.2	Confident	74.7	Confident	101 Å²	101	118.4 Å²	118.4	52%	0.518	61%	0.611	S	S	.	*	H	α-helix	trans	-61.4	-46.4	177.9	-63.7	170.6	0	0	0	110.3	T51 A56 L57 I58	T51-I54 PolarHBondContact O-N 3.08Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.44Å; I54-L57 PolarHBondContact O-N 3.41Å; I54-I58 HydrophobicContact CG2-CD1 3.68Å; I54-I58 HydrophobicContact CG2-CG1 4.34Å; I54-I58 VanDerWaalsContact O-CG1 3.26Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 2.81Å
55	R	69.8	Low	73.2	Confident	132 Å²	132	116.6 Å²	116.6	50%	0.498	61%	0.61	S	S	.	*	H	α-helix	trans	-60.1	-42.4	176.5	-72.2	176.8	-173.2	164.3	1.1	112.4	T51 S52 V53 I58 S59	T51-R55 WeakPolarHBondContact O-CG 3.47Å; T51-R55 PolarHBondContact O-N 3.43Å; S52-R55 PolarHBondContact O-N 2.9Å; V53-R55 PolarHBondContact O-N 3.06Å; R55-I58 PolarHBondContact O-N 2.92Å; R55-S59 PolarHBondContact O-N 3.43Å; R55-S59 PolarHBondContact O-OG 3.09Å
56	A	75.1	Confident	72	Confident	50 Å²	50	117 Å²	117	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-63.5	-43.8	177.2	0	0	0	0	0	111.6	S52 V53 I54 S59 C60	S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.88Å; V53-A56 PolarHBondContact O-N 3.4Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.44Å; A56-S59 WeakPolarHBondContact CA-OG 3.43Å; A56-S59 PolarHBondContact O-N 2.69Å; A56-S59 PolarHBondContact O-OG 3.47Å; A56-C60 PolarHBondContact O-N 3.31Å; A56-C60 PolarHBondContact O-SG 3.27Å
57	L	79.1	Confident	71	Confident	112 Å²	112	109.6 Å²	109.6	59%	0.586	60%	0.598	S	S	*	*	H	α-helix	trans	-63.5	-43.4	176.2	-70	172.7	0	0	0	112.1	V53 I54 S59 C60	V53-L57 HydrophobicContact CG1-CD1 4.12Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CG 3.41Å; V53-L57 PolarHBondContact O-N 2.85Å; I54-L57 PolarHBondContact O-N 3.41Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.24Å; L57-C60 WeakPolarHBondContact O-CB 3.32Å; L57-C60 PolarHBondContact O-N 3.33Å; L57-C60 VanDerWaalsContact O-N 3.12Å
58	I	73.7	Confident	70.2	Confident	113 Å²	113	102.1 Å²	102.1	58%	0.579	58%	0.577	S	S	*	*	H	α-helix	trans	-59.8	-42.4	175.6	-68.3	166.7	0	0	0	110.3	I54 R55 C60 V61	I54-I58 HydrophobicContact CG2-CD1 3.68Å; I54-I58 HydrophobicContact CG2-CG1 4.34Å; I54-I58 VanDerWaalsContact O-CG1 3.26Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 2.81Å; R55-I58 PolarHBondContact O-N 2.92Å; I58-C60 PolarHBondContact O-N 2.67Å; I58-V61 PolarHBondContact O-N 3.16Å; I58-V61 VanDerWaalsContact O-N 3.12Å; I58-V61 VanDerWaalsContact O-O 3.05Å
59	S	70.1	Confident	69.5	Low	97 Å²	97	97.9 Å²	97.9	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-66.6	-19.2	178.4	63.5	0	0	0	0	114.4	R55 A56 L57 V61	R55-S59 PolarHBondContact O-N 3.43Å; R55-S59 PolarHBondContact O-OG 3.09Å; A56-S59 WeakPolarHBondContact CA-OG 3.43Å; A56-S59 PolarHBondContact O-N 2.69Å; A56-S59 PolarHBondContact O-OG 3.47Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-S59 PolarHBondContact O-N 3.24Å; S59-V61 VanDerWaalsContact C-N 3.34Å
60	C	77.9	Confident	69.1	Low	107 Å²	107	102.6 Å²	102.6	72%	0.723	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-9.6	175.8	-64.6	0	0	0	0	113.2	A56 L57 I58	A56-C60 PolarHBondContact O-N 3.31Å; A56-C60 PolarHBondContact O-SG 3.27Å; L57-C60 WeakPolarHBondContact O-CB 3.32Å; L57-C60 PolarHBondContact O-N 3.33Å; L57-C60 VanDerWaalsContact O-N 3.12Å; I58-C60 PolarHBondContact O-N 2.67Å
61	V	73.7	Confident	68.2	Low	108 Å²	108	101.5 Å²	101.5	66%	0.655	57%	0.568	S	S	*	*			trans	-118.4	125.3	-174.5	-175.9	0	0	0	0	109.3	I58 S59	I58-V61 PolarHBondContact O-N 3.16Å; I58-V61 VanDerWaalsContact O-N 3.12Å; I58-V61 VanDerWaalsContact O-O 3.05Å; S59-V61 VanDerWaalsContact C-N 3.34Å
62	Q	64.2	Low	67.6	Low	155 Å²	155	100 Å²	100	72%	0.724	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-87.6	143	170.9	-70.1	-175.7	-21.2	0	0	110.1	V64	Q62-V64 PolarHBondContact O-N 2.68Å
63	P	62.2	Low	67.2	Low	96 Å²	96	99.3 Å²	99.3	62%	0.623	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.2	172.2	25.3	-31.3	0	0	0	109.1	D537	P63-D537 HydrophobicContact CG-CB 4.32Å
64	V	64.2	Low	66.6	Low	93 Å²	93	100 Å²	100	56%	0.564	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-79.8	123.2	174.7	178.7	0	0	0	0	107.3	Q62 E66 A67	Q62-V64 PolarHBondContact O-N 2.68Å; V64-E66 HydrophobicContact CG1-CB 4.33Å; V64-E66 PolarHBondContact O-N 3.12Å; V64-E66 VanDerWaalsContact O-N 3.12Å; V64-A67 HydrophobicContact CB-CB 4.04Å; V64-A67 VanDerWaalsContact O-CB 3.28Å; V64-A67 WeakPolarHBondContact O-CB 3.2Å; V64-A67 PolarHBondContact O-N 3.04Å
65	P	53.3	Low	65.9	Low	130 Å²	130	101.6 Å²	101.6	84%	0.844	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-23.8	-175	20.5	-30.6	0	0	0	113.5
66	E	56.8	Low	65.5	Low	185 Å²	185	100 Å²	100	86%	0.864	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	177.3	-60.2	176.3	-177.8	0	0	113.5	V64	V64-E66 HydrophobicContact CG1-CB 4.33Å; V64-E66 PolarHBondContact O-N 3.12Å; V64-E66 VanDerWaalsContact O-N 3.12Å
67	A	58.9	Low	64.5	Low	56 Å²	56	99.4 Å²	99.4	46%	0.463	56%	0.563	S	S	.	*	S	Bend	trans	-72.3	143.6	-175.5	0	0	0	0	0	112.1	V64	V64-A67 HydrophobicContact CB-CB 4.04Å; V64-A67 VanDerWaalsContact O-CB 3.28Å; V64-A67 WeakPolarHBondContact O-CB 3.2Å; V64-A67 PolarHBondContact O-N 3.04Å
68	P	58.9	Low	63.3	Low	62 Å²	62	105.1 Å²	105.1	40%	0.403	58%	0.576	S	S	.	*			trans	-60.6	142.2	175.3	27	-36.3	0	0	0	111.5	F70 S77	P68-F70 PolarHBondContact O-N 2.72Å; P68-S77 VanDerWaalsContact CB-OG 3.27Å; P68-S77 WeakPolarHBondContact CB-OG 3.27Å
69	I	58.8	Low	62.4	Low	93 Å²	93	101.9 Å²	101.9	48%	0.477	56%	0.56	S	S	.	*			trans	-59.4	115.8	171.5	-59.7	171.9	0	0	0	108.2	D71 L72 G73	I69-D71 HydrophobicContact CG2-CB 4.15Å; I69-D71 PolarHBondContact O-N 2.77Å; I69-D71 VanDerWaalsContact O-N 3.1Å; I69-L72 HydrophobicContact CB-CB 4.45Å; I69-L72 HydrophobicContact CB-CD1 4.01Å; I69-L72 HydrophobicContact CB-CG 4.37Å; I69-L72 HydrophobicContact CD1-CD1 3.96Å; I69-L72 HydrophobicContact CG1-CD1 4.49Å; I69-L72 HydrophobicContact CG2-CD1 4.37Å; I69-L72 HydrophobicContact CG2-CG 4.37Å; I69-L72 PolarHBondContact O-N 3.1Å; I69-G73 PolarHBondContact O-N 2.73Å
70	F	65.9	Low	61.5	Low	196 Å²	196	98.7 Å²	98.7	86%	0.86	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.9	-176	-179.3	-98.2	0	0	0	112.9	P68 L72 G73	P68-F70 PolarHBondContact O-N 2.72Å; F70-L72 PolarHBondContact O-N 3.03Å; F70-G73 PolarHBondContact O-N 3.37Å
71	D	61.3	Low	60.3	Low	85 Å²	85	96.3 Å²	96.3	46%	0.455	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.5	-179	-64.4	-39.9	0	0	0	114.4	I69 M88 K91	I69-D71 HydrophobicContact CG2-CB 4.15Å; I69-D71 PolarHBondContact O-N 2.77Å; I69-D71 VanDerWaalsContact O-N 3.1Å; D71-M88 HydrophobicContact CB-CE 3.69Å; D71-M88 HydrophobicContact CB-SD 4Å; D71-K91 PolarHBondContact O-NZ 2.88Å
72	L	64.3	Low	59.1	Low	18 Å²	18	93.4 Å²	93.4	9%	0.094	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-28	179.3	-71.1	173.2	0	0	0	111.7	I69 F70 F76 T84 C87 M88	I69-L72 HydrophobicContact CB-CB 4.45Å; I69-L72 HydrophobicContact CB-CD1 4.01Å; I69-L72 HydrophobicContact CB-CG 4.37Å; I69-L72 HydrophobicContact CD1-CD1 3.96Å; I69-L72 HydrophobicContact CG1-CD1 4.49Å; I69-L72 HydrophobicContact CG2-CD1 4.37Å; I69-L72 HydrophobicContact CG2-CG 4.37Å; I69-L72 PolarHBondContact O-N 3.1Å; F70-L72 PolarHBondContact O-N 3.03Å; L72-F76 HydrophobicContact CB-CB 3.86Å; L72-F76 HydrophobicContact CD2-CB 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.24Å; L72-T84 HydrophobicContact CD1-CG2 3.48Å; L72-T84 VanDerWaalsContact CD1-CG2 3.48Å; L72-C87 HydrophobicContact CD2-CB 3.88Å; L72-M88 HydrophobicContact CD2-CG 3.75Å; L72-M88 HydrophobicContact CD2-SD 3.67Å; L72-M88 HydrophobicContact CG-SD 4.23Å
73	G	66.8	Low	58.7	Low	22 Å²	22	89.8 Å²	89.8	23%	0.227	49%	0.486	C	S	.	.			trans	81.4	171.7	-168	0	0	0	0	0	112.4	I69 F70 D75 S77	I69-G73 PolarHBondContact O-N 2.73Å; F70-G73 PolarHBondContact O-N 3.37Å; G73-D75 PolarHBondContact O-N 3.46Å; G73-S77 PolarHBondContact O-N 3.04Å
74	P	65.6	Low	58.5	Low	88 Å²	88	85.7 Å²	85.7	57%	0.571	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-41.1	-173.2	24.3	-32.9	0	0	0	112.6	F76 S77	P74-F76 PolarHBondContact O-N 3.28Å; P74-S77 PolarHBondContact O-N 3.42Å; P74-S77 PolarHBondContact O-OG 3.32Å
75	D	63.8	Low	57.9	Low	135 Å²	135	83.5 Å²	83.5	72%	0.722	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.6	-172.5	-57.3	-31	0	0	0	113	G73	G73-D75 PolarHBondContact O-N 3.46Å
76	F	61.7	Low	58.2	Low	99 Å²	99	82.4 Å²	82.4	43%	0.434	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.2	-175.1	-62.7	-84.7	0	0	0	113.3	L72 P74 R78 L79 C87	L72-F76 HydrophobicContact CB-CB 3.86Å; L72-F76 HydrophobicContact CD2-CB 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.24Å; P74-F76 PolarHBondContact O-N 3.28Å; F76-R78 VanDerWaalsContact C-N 3.28Å; F76-R78 PolarHBondContact O-N 3.32Å; F76-L79 HydrophobicContact CB-CD1 4.06Å; F76-L79 HydrophobicContact CD1-CD1 3.61Å; F76-L79 HydrophobicContact CG-CD1 4.31Å; F76-L79 VanDerWaalsContact O-CB 3.31Å; F76-L79 WeakPolarHBondContact O-CB 3.09Å; F76-L79 PolarHBondContact O-N 3.07Å; F76-C87 HydrophobicContact CD1-CB 4.46Å; F76-C87 VanDerWaalsContact CD1-SG 3.58Å
77	S	53.3	Low	58.5	Low	38 Å²	38	75.2 Å²	75.2	27%	0.266	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.5	-179.4	66.4	0	0	0	0	114.7	P68 G73 P74 L79	P68-S77 VanDerWaalsContact CB-OG 3.27Å; P68-S77 WeakPolarHBondContact CB-OG 3.27Å; G73-S77 PolarHBondContact O-N 3.04Å; P74-S77 PolarHBondContact O-N 3.42Å; P74-S77 PolarHBondContact O-OG 3.32Å; S77-L79 PolarHBondContact O-N 3.34Å
78	R	54.5	Low	58.6	Low	231 Å²	231	73.4 Å²	73.4	87%	0.872	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.4	176.6	-63.3	-175.8	178	-178.6	-0.6	112.7	F76	F76-R78 VanDerWaalsContact C-N 3.28Å; F76-R78 PolarHBondContact O-N 3.32Å
79	L	54	Low	58.6	Low	46 Å²	46	71.2 Å²	71.2	24%	0.241	36%	0.364	C	S	.	.	S	Bend	trans	-74.5	145	-178.9	-67.5	175.1	0	0	0	111	F76 S77 R83 T84	F76-L79 HydrophobicContact CB-CD1 4.06Å; F76-L79 HydrophobicContact CD1-CD1 3.61Å; F76-L79 HydrophobicContact CG-CD1 4.31Å; F76-L79 VanDerWaalsContact O-CB 3.31Å; F76-L79 WeakPolarHBondContact O-CB 3.09Å; F76-L79 PolarHBondContact O-N 3.07Å; S77-L79 PolarHBondContact O-N 3.34Å; L79-R83 HydrophobicContact CB-CB 3.97Å; L79-R83 HydrophobicContact CD1-CB 4.29Å; L79-T84 HydrophobicContact CB-CG2 4.26Å; L79-T84 WeakPolarHBondContact O-CG2 3.46Å
80	P	50.5	Low	58.9	Low	30 Å²	30	70.2 Å²	70.2	20%	0.195	37%	0.365	C	S	.	.			trans	-56.3	150.5	173.1	-22.4	30.4	0	0	0	112.2	A82 R83 T84 H656	P80-A82 PolarHBondContact O-N 3.43Å; P80-R83 WeakPolarHBondContact O-CA 3.06Å; P80-R83 PolarHBondContact O-N 3.18Å; P80-T84 PolarHBondContact O-N 3.4Å; P80-H656 WeakPolarHBondContact CB-NE2 3.44Å; P80-H656 VanDerWaalsContact CG-NE2 3.25Å; P80-H656 WeakPolarHBondContact CG-NE2 3.47Å
81	T	53.6	Low	59	Low	57 Å²	57	64.6 Å²	64.6	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-52.2	-29.7	-176.5	-39.4	0	0	0	0	113.3	T84 R85	T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.3Å; T81-R85 PolarHBondContact O-N 2.98Å
82	A	49.1	Very low	58.9	Low	46 Å²	46	61 Å²	61	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-39.8	174.2	0	0	0	0	0	113.6	P80 R85 L86	P80-A82 PolarHBondContact O-N 3.43Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.24Å; A82-L86 PolarHBondContact O-N 2.86Å
83	R	55.7	Low	58.7	Low	79 Å²	79	66.6 Å²	66.6	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-76.4	-33.3	175.4	-82.3	-172.3	174.4	153.3	-0.7	112.1	L79 P80 R85 L86 C87 E653 N718	L79-R83 HydrophobicContact CB-CB 3.97Å; L79-R83 HydrophobicContact CD1-CB 4.29Å; P80-R83 WeakPolarHBondContact O-CA 3.06Å; P80-R83 PolarHBondContact O-N 3.18Å; R83-R85 PolarHBondContact O-N 3.32Å; R83-L86 WeakPolarHBondContact O-CB 3.47Å; R83-L86 PolarHBondContact O-N 3.47Å; R83-C87 PolarHBondContact O-N 3.15Å; R83-C87 PolarHBondContact O-SG 3.36Å; R83-C87 VanDerWaalsContact O-SG 3.37Å; R83-E653 IonicContact CZ-OE2 3.04Å; R83-E653 IonicContact NH1-OE1 2.79Å; R83-E653 IonicContact NH1-OE2 3.61Å; R83-E653 PolarHBondContact NH1-OE2 2.61Å; R83-N718 PolarHBondContact NH2-OD1 3.48Å
84	T	57.4	Low	58.8	Low	10 Å²	10	67.6 Å²	67.6	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-57.9	-36.6	170.9	70	0	0	0	0	111.8	L72 L79 P80 T81 C87 M88	L72-T84 HydrophobicContact CD1-CG2 3.48Å; L72-T84 VanDerWaalsContact CD1-CG2 3.48Å; L79-T84 HydrophobicContact CB-CG2 4.26Å; L79-T84 WeakPolarHBondContact O-CG2 3.46Å; P80-T84 PolarHBondContact O-N 3.4Å; T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.3Å; T84-C87 PolarHBondContact O-N 3.04Å; T84-M88 WeakPolarHBondContact O-CG 3.35Å; T84-M88 PolarHBondContact O-N 3.18Å
85	R	52.5	Low	58.9	Low	48 Å²	48	68.1 Å²	68.1	18%	0.181	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-50.5	171.7	174.6	178.4	179.1	-160.5	-4.3	110.4	T81 A82 R83 C87 M88 L89 R219 I222	T81-R85 PolarHBondContact O-N 2.98Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.24Å; R83-R85 PolarHBondContact O-N 3.32Å; R85-C87 PolarHBondContact O-N 3.22Å; R85-M88 PolarHBondContact O-N 3.22Å; R85-L89 HydrophobicContact CG-CD1 3.81Å; R85-L89 HydrophobicContact CG-CG 4.24Å; R85-L89 WeakPolarHBondContact O-CB 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.38Å; R85-L89 PolarHBondContact O-N 3.48Å; R85-R219 HydrophobicContact CG-CB 4.09Å; R85-R219 HydrophobicContact CG-CG 4.29Å; R85-R219 VanDerWaalsContact CZ-O 3.27Å; R85-R219 PolarHBondContact NE-O 3.27Å; R85-R219 PolarHBondContact NH2-O 2.96Å; R85-I222 PolarHBondContact NH1-O 3.47Å; R85-I222 VanDerWaalsContact NH2-C 3.27Å; R85-I222 PolarHBondContact NH2-O 2.69Å; R85-I222 VanDerWaalsContact NH2-O 3.14Å
86	L	58.5	Low	58.8	Low	107 Å²	107	64 Å²	64	56%	0.56	32%	0.324	S	S	*	.	H	α-helix	trans	-59.7	-44.6	179.7	-169.8	70.4	0	0	0	112.2	A82 R83 M88 L89 S90	A82-L86 PolarHBondContact O-N 2.86Å; R83-L86 WeakPolarHBondContact O-CB 3.47Å; R83-L86 PolarHBondContact O-N 3.47Å; L86-M88 PolarHBondContact O-N 3.01Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 PolarHBondContact O-OG 3.4Å; L86-S90 VanDerWaalsContact O-OG 3.09Å
87	C	63.2	Low	59.1	Low	33 Å²	33	61.8 Å²	61.8	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-45.9	177.8	-65.3	0	0	0	0	112	L72 F76 R83 T84 R85 S90 K91	L72-C87 HydrophobicContact CD2-CB 3.88Å; F76-C87 HydrophobicContact CD1-CB 4.46Å; F76-C87 VanDerWaalsContact CD1-SG 3.58Å; R83-C87 PolarHBondContact O-N 3.15Å; R83-C87 PolarHBondContact O-SG 3.36Å; R83-C87 VanDerWaalsContact O-SG 3.37Å; T84-C87 PolarHBondContact O-N 3.04Å; R85-C87 PolarHBondContact O-N 3.22Å; C87-S90 PolarHBondContact O-N 3.49Å; C87-K91 WeakPolarHBondContact O-CB 3.37Å; C87-K91 PolarHBondContact O-N 3.14Å
88	M	62.1	Low	60.1	Low	18 Å²	18	62.8 Å²	62.8	9%	0.089	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-37	177.1	-67.3	-55.4	-70.5	0	0	112.2	D71 L72 T84 R85 L86 K91 A92 I216	D71-M88 HydrophobicContact CB-CE 3.69Å; D71-M88 HydrophobicContact CB-SD 4Å; L72-M88 HydrophobicContact CD2-CG 3.75Å; L72-M88 HydrophobicContact CD2-SD 3.67Å; L72-M88 HydrophobicContact CG-SD 4.23Å; T84-M88 WeakPolarHBondContact O-CG 3.35Å; T84-M88 PolarHBondContact O-N 3.18Å; R85-M88 PolarHBondContact O-N 3.22Å; L86-M88 PolarHBondContact O-N 3.01Å; M88-K91 PolarHBondContact O-N 3.45Å; M88-K91 HydrophobicContact SD-CD 4.36Å; M88-A92 WeakPolarHBondContact O-CB 3.43Å; M88-A92 PolarHBondContact O-N 2.9Å; M88-I216 HydrophobicContact CB-CD1 4.21Å; M88-I216 HydrophobicContact CB-CG2 4.12Å; M88-I216 HydrophobicContact CE-CD1 3.17Å; M88-I216 HydrophobicContact CG-CD1 4.35Å
89	L	57.2	Low	60.7	Low	17 Å²	17	55.3 Å²	55.3	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-45.7	173.4	-71.6	172.2	0	0	0	111.2	R85 L86 A92 K93 F220	R85-L89 HydrophobicContact CG-CD1 3.81Å; R85-L89 HydrophobicContact CG-CG 4.24Å; R85-L89 WeakPolarHBondContact O-CB 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.38Å; R85-L89 PolarHBondContact O-N 3.48Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3.34Å; L89-A92 PolarHBondContact O-N 2.82Å; L89-K93 WeakPolarHBondContact O-CB 3.18Å; L89-K93 WeakPolarHBondContact O-CG 3.47Å; L89-K93 PolarHBondContact O-N 3.38Å; L89-F220 HydrophobicContact CD2-CD1 3.18Å; L89-F220 HydrophobicContact CD2-CE1 3.17Å; L89-F220 HydrophobicContact CD2-CG 3.92Å; L89-F220 HydrophobicContact CD2-CZ 3.88Å; L89-F220 HydrophobicContact CG-CE1 4.43Å
90	S	65.2	Low	61.3	Low	71 Å²	71	54.9 Å²	54.9	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.9	-63.8	0	0	0	0	111.7	L86 C87 K93 G94	L86-S90 WeakPolarHBondContact O-CB 3.35Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 PolarHBondContact O-OG 3.4Å; L86-S90 VanDerWaalsContact O-OG 3.09Å; C87-S90 PolarHBondContact O-N 3.49Å; S90-K93 PolarHBondContact O-N 3.21Å; S90-G94 PolarHBondContact O-N 3.36Å
91	K	68.4	Low	62.5	Low	78 Å²	78	55.4 Å²	55.4	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-46.3	175.3	-175.1	175.7	179.9	178.1	0	111.8	D71 C87 M88 G94 R95	D71-K91 PolarHBondContact O-NZ 2.88Å; C87-K91 WeakPolarHBondContact O-CB 3.37Å; C87-K91 PolarHBondContact O-N 3.14Å; M88-K91 PolarHBondContact O-N 3.45Å; M88-K91 HydrophobicContact SD-CD 4.36Å; K91-G94 PolarHBondContact O-N 3.07Å; K91-R95 WeakPolarHBondContact O-CG 3.32Å; K91-R95 PolarHBondContact O-N 2.94Å
92	A	59.9	Low	63.4	Low	9 Å²	9	53.8 Å²	53.8	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-42.4	177.1	0	0	0	0	0	112.2	M88 L89 G94 R95 L96 F220	M88-A92 WeakPolarHBondContact O-CB 3.43Å; M88-A92 PolarHBondContact O-N 2.9Å; L89-A92 PolarHBondContact O-N 2.82Å; A92-G94 VanDerWaalsContact C-N 3.34Å; A92-G94 PolarHBondContact O-N 3.07Å; A92-R95 PolarHBondContact O-N 3.3Å; A92-L96 WeakPolarHBondContact O-CB 3.44Å; A92-L96 PolarHBondContact O-N 2.89Å; A92-F220 HydrophobicContact CB-CE1 4.38Å; A92-F220 HydrophobicContact CB-CZ 3.71Å
93	K	60	Low	64.3	Low	137 Å²	137	53.3 Å²	53.3	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-61	-40.7	173.8	-77.2	-176.1	177.4	-172.2	0	112.2	L89 S90 L96 A97	L89-K93 WeakPolarHBondContact O-CB 3.18Å; L89-K93 WeakPolarHBondContact O-CG 3.47Å; L89-K93 PolarHBondContact O-N 3.38Å; S90-K93 PolarHBondContact O-N 3.21Å; K93-L96 PolarHBondContact O-N 2.76Å; K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 2.95Å
94	G	68.1	Low	64.9	Low	42 Å²	42	53.4 Å²	53.4	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-43	175.6	0	0	0	0	0	112.5	S90 K91 A92 A97 A98	S90-G94 PolarHBondContact O-N 3.36Å; K91-G94 PolarHBondContact O-N 3.07Å; A92-G94 VanDerWaalsContact C-N 3.34Å; A92-G94 PolarHBondContact O-N 3.07Å; G94-A97 PolarHBondContact O-N 2.96Å; G94-A98 WeakPolarHBondContact O-CB 3.37Å; G94-A98 PolarHBondContact O-N 3.44Å
95	R	69.3	Low	65.9	Low	100 Å²	100	60.2 Å²	60.2	38%	0.377	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-41	174.9	-75.8	171.2	170.7	-172.9	-4.9	112.5	K91 A92 A98 R99 E213	K91-R95 WeakPolarHBondContact O-CG 3.32Å; K91-R95 PolarHBondContact O-N 2.94Å; A92-R95 PolarHBondContact O-N 3.3Å; R95-A98 PolarHBondContact O-N 2.91Å; R95-R99 WeakPolarHBondContact O-CG 3.49Å; R95-R99 PolarHBondContact O-N 3.07Å; R95-E213 WeakPolarHBondContact CD-OE1 3.38Å; R95-E213 IonicContact CZ-OE1 2.78Å; R95-E213 IonicContact NE-OE1 3.42Å; R95-E213 IonicContact NH1-OE1 3.97Å; R95-E213 PolarHBondContact NH1-OE1 3.26Å
96	L	61.7	Low	67.1	Low	48 Å²	48	63 Å²	63	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-50.6	173.2	172.4	61.4	0	0	0	111.2	A92 K93 A98 R99 V100 N207	A92-L96 WeakPolarHBondContact O-CB 3.44Å; A92-L96 PolarHBondContact O-N 2.89Å; K93-L96 PolarHBondContact O-N 2.76Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 3Å; L96-R99 PolarHBondContact O-N 3.15Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.4Å; L96-N207 HydrophobicContact CD1-CB 3.25Å
97	A	66.6	Low	67.8	Low	53 Å²	53	60.1 Å²	60.1	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-44.4	176.8	0	0	0	0	0	111.2	K93 G94 R99 V100 S101	K93-A97 WeakPolarHBondContact O-CB 3.38Å; K93-A97 PolarHBondContact O-N 2.95Å; G94-A97 PolarHBondContact O-N 2.96Å; A97-R99 PolarHBondContact O-N 3.34Å; A97-V100 PolarHBondContact O-N 3.41Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.27Å; A97-S101 PolarHBondContact O-OG 3.32Å; A97-S101 VanDerWaalsContact O-OG 3.08Å
98	A	74.2	Confident	68.3	Low	59 Å²	59	64.6 Å²	64.6	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.6	0	0	0	0	0	113	G94 R95 L96 S101 A102	G94-A98 WeakPolarHBondContact O-CB 3.37Å; G94-A98 PolarHBondContact O-N 3.44Å; R95-A98 PolarHBondContact O-N 2.91Å; L96-A98 VanDerWaalsContact C-N 3.3Å; L96-A98 PolarHBondContact O-N 3Å; A98-S101 PolarHBondContact O-N 3.47Å; A98-A102 VanDerWaalsContact O-CB 3.28Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.08Å
99	R	68.2	Low	69.2	Low	74 Å²	74	68.3 Å²	68.3	28%	0.279	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-42.3	176.2	-74.8	177.3	-178.7	157.1	-5.1	112.3	R95 L96 A97 S101 A102 R103 L208 D210	R95-R99 WeakPolarHBondContact O-CG 3.49Å; R95-R99 PolarHBondContact O-N 3.07Å; L96-R99 PolarHBondContact O-N 3.15Å; A97-R99 PolarHBondContact O-N 3.34Å; R99-S101 VanDerWaalsContact C-N 3.32Å; R99-A102 PolarHBondContact O-N 3.06Å; R99-R103 VanDerWaalsContact O-CB 3.31Å; R99-R103 WeakPolarHBondContact O-CB 3.4Å; R99-R103 PolarHBondContact O-N 3.37Å; R99-L208 PolarHBondContact NH1-O 3.35Å; R99-D210 IonicContact NH2-OD1 3.43Å; R99-D210 IonicContact NH2-OD2 2.65Å; R99-D210 PolarHBondContact NH2-OD2 3.4Å
100	V	66.5	Low	70.2	Confident	36 Å²	36	69.6 Å²	69.6	22%	0.218	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-45.8	173.5	172.4	0	0	0	0	109.7	L96 A97 R103 D104 N207	L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.4Å; A97-V100 PolarHBondContact O-N 3.41Å; V100-R103 PolarHBondContact O-N 3.43Å; V100-D104 WeakPolarHBondContact CG1-OD2 3.5Å; V100-D104 WeakPolarHBondContact O-CB 3.48Å; V100-D104 PolarHBondContact O-N 2.93Å; V100-N207 VanDerWaalsContact CG2-OD1 3.29Å; V100-N207 WeakPolarHBondContact CG2-OD1 3.46Å
101	S	74.6	Confident	70.5	Confident	42 Å²	42	68.5 Å²	68.5	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-43.2	178.1	-62.2	0	0	0	0	113.3	A97 A98 R99 R103 F105 F106	A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.27Å; A97-S101 PolarHBondContact O-OG 3.32Å; A97-S101 VanDerWaalsContact O-OG 3.08Å; A98-S101 PolarHBondContact O-N 3.47Å; R99-S101 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.2Å; S101-F105 WeakPolarHBondContact O-CB 3.46Å; S101-F105 PolarHBondContact O-N 3.03Å; S101-F106 PolarHBondContact O-N 3.29Å
102	A	73.5	Confident	70.9	Confident	23 Å²	23	67 Å²	67	19%	0.19	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-35.1	175.5	0	0	0	0	0	112.2	A98 R99 F106 P107 I110	A98-A102 VanDerWaalsContact O-CB 3.28Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.08Å; R99-A102 PolarHBondContact O-N 3.06Å; A102-F106 CarbonylContact O-C 3.59Å; A102-P107 WeakPolarHBondContact O-CA 3.49Å; A102-I110 HydrophobicContact CB-CD1 4.43Å; A102-I110 HydrophobicContact CB-CG1 4.01Å
103	R	67.7	Low	71.6	Confident	35 Å²	35	70.7 Å²	70.7	13%	0.132	39%	0.387	C	S	.	.	H	α-helix	trans	-79.5	-45.6	179.8	-173	-166.5	71	-165.1	-7.6	112.8	R99 V100 S101 P125 T128 N204 S206 N207	R99-R103 VanDerWaalsContact O-CB 3.31Å; R99-R103 WeakPolarHBondContact O-CB 3.4Å; R99-R103 PolarHBondContact O-N 3.37Å; V100-R103 PolarHBondContact O-N 3.43Å; S101-R103 PolarHBondContact O-N 3.2Å; R103-P125 HydrophobicContact CB-CB 4.31Å; R103-P125 HydrophobicContact CG-CB 4.3Å; R103-T128 VanDerWaalsContact CD-CG2 3.5Å; R103-T128 VanDerWaalsContact NE-CG2 3.35Å; R103-N204 VanDerWaalsContact NH1-CG 3.31Å; R103-N204 PolarHBondContact NH1-ND2 3.3Å; R103-S206 PolarHBondContact NH1-OG 3.28Å; R103-N207 PolarHBondContact NH1-OD1 3.12Å
104	D	68.6	Low	72.1	Confident	82 Å²	82	64.1 Å²	64.1	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-91	-31.4	-168.9	-64.6	-14.3	0	0	0	112.9	V100	V100-D104 WeakPolarHBondContact CG1-OD2 3.5Å; V100-D104 WeakPolarHBondContact O-CB 3.48Å; V100-D104 PolarHBondContact O-N 2.93Å
105	F	76.9	Confident	72.4	Confident	152 Å²	152	66.4 Å²	66.4	67%	0.667	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-34.2	-176.5	-57.9	-69.7	0	0	0	113.8	S101	S101-F105 WeakPolarHBondContact O-CB 3.46Å; S101-F105 PolarHBondContact O-N 3.03Å
106	F	77.9	Confident	72.7	Confident	107 Å²	107	67.7 Å²	67.7	47%	0.469	37%	0.374	S	S	.	.			trans	-124	38.9	-173.1	-49.1	-71.6	0	0	0	115.2	S101 A102 N108 D109 I110	S101-F106 PolarHBondContact O-N 3.29Å; A102-F106 CarbonylContact O-C 3.59Å; F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.84Å; F106-D109 HydrophobicContact CB-CB 4.4Å; F106-D109 PolarHBondContact O-N 3.37Å; F106-I110 HydrophobicContact CB-CG1 4.4Å; F106-I110 WeakPolarHBondContact O-CG1 3.45Å; F106-I110 PolarHBondContact O-N 3.34Å
107	P	73.1	Confident	73.2	Confident	47 Å²	47	70.2 Å²	70.2	31%	0.305	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-41.9	-173.3	24.9	-33.3	0	0	0	112.1	A102 T111	A102-P107 WeakPolarHBondContact O-CA 3.49Å; P107-T111 WeakPolarHBondContact O-CB 3.41Å; P107-T111 VanDerWaalsContact O-CG2 3.3Å; P107-T111 WeakPolarHBondContact O-CG2 3.48Å; P107-T111 PolarHBondContact O-N 3.46Å; P107-T111 PolarHBondContact O-OG1 3.02Å
108	N	75.7	Confident	73.4	Confident	126 Å²	126	73 Å²	73	67%	0.674	42%	0.415	S	S	*	.	H	α-helix	trans	-65.7	-44.2	-177.7	-65.8	-20.2	0	0	0	111.9	F106 I110 T111 A112	F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.84Å; N108-I110 PolarHBondContact O-N 3.24Å; N108-T111 VanDerWaalsContact CA-OG1 3.29Å; N108-T111 WeakPolarHBondContact CA-OG1 3.23Å; N108-T111 PolarHBondContact O-N 3.39Å; N108-T111 PolarHBondContact O-OG1 3.3Å; N108-A112 WeakPolarHBondContact O-CB 3.34Å; N108-A112 PolarHBondContact O-N 3.3Å
109	D	80.8	Confident	73.4	Confident	97 Å²	97	75.8 Å²	75.8	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-44.2	-178.8	-57.7	-29.1	0	0	0	111.2	F106 A112 L113	F106-D109 HydrophobicContact CB-CB 4.4Å; F106-D109 PolarHBondContact O-N 3.37Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.07Å; D109-L113 WeakPolarHBondContact O-CG 3.34Å; D109-L113 PolarHBondContact O-N 3.4Å
110	I	77.5	Confident	73.5	Confident	44 Å²	44	75 Å²	75	23%	0.226	42%	0.422	C	S	.	.	H	α-helix	trans	-70.4	-37.1	179.2	-60	-68.8	0	0	0	111	A102 F106 N108 A112 L113 G114 W123 P125	A102-I110 HydrophobicContact CB-CD1 4.43Å; A102-I110 HydrophobicContact CB-CG1 4.01Å; F106-I110 HydrophobicContact CB-CG1 4.4Å; F106-I110 WeakPolarHBondContact O-CG1 3.45Å; F106-I110 PolarHBondContact O-N 3.34Å; N108-I110 PolarHBondContact O-N 3.24Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-L113 HydrophobicContact CD1-CD1 4.31Å; I110-L113 PolarHBondContact O-N 2.79Å; I110-G114 PolarHBondContact O-N 2.96Å; I110-W123 HydrophobicContact CG2-CB 4.47Å; I110-W123 WeakPolarHBondContact CG2-O 3.29Å; I110-P125 HydrophobicContact CB-CG 4.15Å; I110-P125 HydrophobicContact CG2-CG 4.03Å
111	T	71.5	Confident	73.6	Confident	48 Å²	48	75.4 Å²	75.4	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-40.7	172.8	49.9	0	0	0	0	112.2	P107 N108 G114 T115 I124	P107-T111 WeakPolarHBondContact O-CB 3.41Å; P107-T111 VanDerWaalsContact O-CG2 3.3Å; P107-T111 WeakPolarHBondContact O-CG2 3.48Å; P107-T111 PolarHBondContact O-N 3.46Å; P107-T111 PolarHBondContact O-OG1 3.02Å; N108-T111 VanDerWaalsContact CA-OG1 3.29Å; N108-T111 WeakPolarHBondContact CA-OG1 3.23Å; N108-T111 PolarHBondContact O-N 3.39Å; N108-T111 PolarHBondContact O-OG1 3.3Å; T111-G114 PolarHBondContact O-N 3.44Å; T111-T115 WeakPolarHBondContact O-CG2 3.49Å; T111-T115 PolarHBondContact O-N 2.94Å; T111-T115 PolarHBondContact O-OG1 3.34Å; T111-T115 VanDerWaalsContact O-OG1 3.11Å; T111-I124 HydrophobicContact CG2-CG2 4.24Å
112	A	76.1	Confident	73.2	Confident	47 Å²	47	81.8 Å²	81.8	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-58.7	-49.8	175.5	0	0	0	0	0	110.4	N108 D109 I110 G114 T115 E116	N108-A112 WeakPolarHBondContact O-CB 3.34Å; N108-A112 PolarHBondContact O-N 3.3Å; D109-A112 WeakPolarHBondContact O-CB 3.44Å; D109-A112 PolarHBondContact O-N 3.07Å; I110-A112 VanDerWaalsContact C-N 3.34Å; A112-G114 VanDerWaalsContact C-N 3.32Å; A112-G114 PolarHBondContact O-N 3.49Å; A112-T115 PolarHBondContact O-N 3.45Å; A112-T115 VanDerWaalsContact O-N 3.1Å; A112-T115 PolarHBondContact O-OG1 3.13Å; A112-E116 PolarHBondContact O-N 3.18Å; A112-E116 VanDerWaalsContact O-N 3.14Å
113	L	74.6	Confident	72.9	Confident	85 Å²	85	87.5 Å²	87.5	45%	0.445	46%	0.461	S	S	.	.	H	α-helix	trans	-59.1	-38.7	175.6	-70.9	169.9	0	0	0	113.2	D109 I110 T115	D109-L113 WeakPolarHBondContact O-CG 3.34Å; D109-L113 PolarHBondContact O-N 3.4Å; I110-L113 HydrophobicContact CD1-CD1 4.31Å; I110-L113 PolarHBondContact O-N 2.79Å; L113-T115 VanDerWaalsContact C-N 3.29Å; L113-T115 PolarHBondContact O-N 3.46Å
114	G	70.7	Confident	72.9	Confident	0 Å²	0	89.5 Å²	89.5	0%	0	47%	0.474	C	S	.	.	H	α-helix	trans	-71.5	-22.7	178.2	0	0	0	0	0	114.1	I110 T111 A112 I120	I110-G114 PolarHBondContact O-N 2.96Å; T111-G114 PolarHBondContact O-N 3.44Å; A112-G114 VanDerWaalsContact C-N 3.32Å; A112-G114 PolarHBondContact O-N 3.49Å; G114-I120 PolarHBondContact O-N 3.35Å; G114-I120 VanDerWaalsContact O-N 3.1Å
115	T	74.8	Confident	72.6	Confident	90 Å²	90	87.1 Å²	87.1	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-90.1	-17.9	177.8	54	0	0	0	0	114.1	T111 A112 L113	T111-T115 WeakPolarHBondContact O-CG2 3.49Å; T111-T115 PolarHBondContact O-N 2.94Å; T111-T115 PolarHBondContact O-OG1 3.34Å; T111-T115 VanDerWaalsContact O-OG1 3.11Å; A112-T115 PolarHBondContact O-N 3.45Å; A112-T115 VanDerWaalsContact O-N 3.1Å; A112-T115 PolarHBondContact O-OG1 3.13Å; L113-T115 VanDerWaalsContact C-N 3.29Å; L113-T115 PolarHBondContact O-N 3.46Å
116	E	75	Confident	72.1	Confident	126 Å²	126	83.9 Å²	83.9	59%	0.589	45%	0.452	S	S	*	.	S	Bend	trans	-66.6	145.9	172	-73.6	-177.6	178.5	0	0	111.2	A112 P118 L119	A112-E116 PolarHBondContact O-N 3.18Å; A112-E116 VanDerWaalsContact O-N 3.14Å; E116-P118 CarbonylContact O-C 3.09Å; E116-P118 VanDerWaalsContact O-O 3.04Å; E116-L119 PolarHBondContact O-N 2.87Å
117	A	72	Confident	71.7	Confident	101 Å²	101	82 Å²	82	84%	0.835	44%	0.444	S	S	*	.	S	Bend	trans	-75.7	132.4	-178.2	0	0	0	0	0	111.2
118	P	71.7	Confident	71.5	Confident	111 Å²	111	80.6 Å²	80.6	72%	0.721	44%	0.435	S	S	*	.	S	Bend	cis	-76.9	133.7	2.6	31.2	-33.5	0	0	0	111.9	E116 I120	E116-P118 CarbonylContact O-C 3.09Å; E116-P118 VanDerWaalsContact O-O 3.04Å; P118-I120 VanDerWaalsContact O-CG1 3.31Å; P118-I120 WeakPolarHBondContact O-CG1 3.4Å; P118-I120 PolarHBondContact O-N 2.83Å; P118-I120 VanDerWaalsContact O-N 3.09Å
119	L	73.4	Confident	71.4	Confident	118 Å²	118	74.9 Å²	74.9	62%	0.618	41%	0.405	S	S	*	.			trans	-58.9	114.5	-178.4	-173.2	110.4	0	0	0	111.5	E116	E116-L119 PolarHBondContact O-N 2.87Å
120	I	71.6	Confident	71.3	Confident	58 Å²	58	74.4 Å²	74.4	30%	0.297	40%	0.402	S	S	.	.			trans	-104.4	81.8	177.2	-52.2	174.7	0	0	0	109.3	G114 P118 R122 W123	G114-I120 PolarHBondContact O-N 3.35Å; G114-I120 VanDerWaalsContact O-N 3.1Å; P118-I120 VanDerWaalsContact O-CG1 3.31Å; P118-I120 WeakPolarHBondContact O-CG1 3.4Å; P118-I120 PolarHBondContact O-N 2.83Å; P118-I120 VanDerWaalsContact O-N 3.09Å; I120-R122 HydrophobicContact CG2-CB 4.26Å; I120-R122 PolarHBondContact O-N 3.22Å; I120-W123 HydrophobicContact CB-CD2 4.21Å; I120-W123 HydrophobicContact CB-CG 4.2Å; I120-W123 HydrophobicContact CD1-CD2 4.2Å; I120-W123 HydrophobicContact CD1-CE3 4.3Å; I120-W123 HydrophobicContact CD1-CH2 4Å; I120-W123 HydrophobicContact CD1-CZ2 3.87Å; I120-W123 HydrophobicContact CD1-CZ3 4.21Å; I120-W123 HydrophobicContact CG2-CB 4.44Å; I120-W123 HydrophobicContact CG2-CD2 4.01Å; I120-W123 HydrophobicContact CG2-CG 3.74Å; I120-W123 PolarHBondContact O-N 3.35Å
121	S	67.2	Low	71.4	Confident	44 Å²	44	75.6 Å²	75.6	31%	0.308	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-3	178.5	72.8	0	0	0	0	115.5	M1	M1-S121 PolarHBondContact N-O 3.05Å; M1-S121 PolarHBondContact N-OG 3.37Å
122	R	67	Low	71.9	Confident	177 Å²	177	73.4 Å²	73.4	67%	0.668	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-16	175.4	-64.9	-172.1	-174.8	-174.3	4.9	113	L2 I120	L2-R122 VanDerWaalsContact CD1-NH2 3.3Å; I120-R122 HydrophobicContact CG2-CB 4.26Å; I120-R122 PolarHBondContact O-N 3.22Å
123	W	66.6	Low	72.3	Confident	143 Å²	143	71.8 Å²	71.8	54%	0.542	38%	0.38	S	S	.	.	S	Bend	trans	-88.5	-17.3	-178.8	-70.3	3.2	0	0	0	113	I110 I120 P125	I110-W123 HydrophobicContact CG2-CB 4.47Å; I110-W123 WeakPolarHBondContact CG2-O 3.29Å; I120-W123 HydrophobicContact CB-CD2 4.21Å; I120-W123 HydrophobicContact CB-CG 4.2Å; I120-W123 HydrophobicContact CD1-CD2 4.2Å; I120-W123 HydrophobicContact CD1-CE3 4.3Å; I120-W123 HydrophobicContact CD1-CH2 4Å; I120-W123 HydrophobicContact CD1-CZ2 3.87Å; I120-W123 HydrophobicContact CD1-CZ3 4.21Å; I120-W123 HydrophobicContact CG2-CB 4.44Å; I120-W123 HydrophobicContact CG2-CD2 4.01Å; I120-W123 HydrophobicContact CG2-CG 3.74Å; I120-W123 PolarHBondContact O-N 3.35Å; W123-P125 WeakPolarHBondContact O-CD 3.33Å
124	I	67.6	Low	72.8	Confident	77 Å²	77	74.1 Å²	74.1	40%	0.395	39%	0.386	S	S	.	.	S	Bend	trans	-59.1	120.4	178.6	-62.6	171.4	0	0	0	109.6	T111 I126	T111-I124 HydrophobicContact CG2-CG2 4.24Å; I124-I126 PolarHBondContact O-N 3.33Å
125	P	63.6	Low	73.4	Confident	31 Å²	31	77.3 Å²	77.3	20%	0.201	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-58.7	131	178.5	-23.9	34.3	0	0	0	111.5	R103 I110 W123	R103-P125 HydrophobicContact CB-CB 4.31Å; R103-P125 HydrophobicContact CG-CB 4.3Å; I110-P125 HydrophobicContact CB-CG 4.15Å; I110-P125 HydrophobicContact CG2-CG 4.03Å; W123-P125 WeakPolarHBondContact O-CD 3.33Å
126	I	66.1	Low	74	Confident	85 Å²	85	73.4 Å²	73.4	44%	0.436	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-77.2	134.6	178.6	-59.9	173.1	0	0	0	108.8	I124 L153	I124-I126 PolarHBondContact O-N 3.33Å; I126-L153 HydrophobicContact CG2-CD2 3.35Å
127	Q	68.4	Low	74.6	Confident	66 Å²	66	72.1 Å²	72.1	31%	0.308	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.8	141	174.4	-70	179.1	-3.7	0	0	110.6	I132 L153	Q127-I132 HydrophobicContact CB-CD1 4.2Å; Q127-I132 HydrophobicContact CB-CG1 4.23Å; Q127-L153 VanDerWaalsContact O-CD1 3.27Å; Q127-L153 WeakPolarHBondContact O-CD1 3.35Å
128	T	69.9	Low	75.3	Confident	19 Å²	19	73.9 Å²	73.9	12%	0.117	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-81.4	149.2	175.6	62.2	0	0	0	0	111	R103 D130 N131 I132 N204	R103-T128 VanDerWaalsContact CD-CG2 3.5Å; R103-T128 VanDerWaalsContact NE-CG2 3.35Å; T128-D130 PolarHBondContact O-N 2.97Å; T128-N131 PolarHBondContact O-N 3.45Å; T128-N131 VanDerWaalsContact O-N 3.1Å; T128-N131 WeakPolarHBondContact OG1-CB 3.46Å; T128-N131 PolarHBondContact OG1-N 2.66Å; T128-I132 PolarHBondContact O-N 3.27Å; T128-I132 VanDerWaalsContact O-N 3.1Å; T128-N204 WeakPolarHBondContact CB-ND2 3.22Å; T128-N204 WeakPolarHBondContact CG2-ND2 3.29Å
129	P	73.8	Confident	75.8	Confident	6 Å²	6	71.6 Å²	71.6	4%	0.039	36%	0.363	C	S	.	.	H	α-helix	trans	-54.3	-39.1	174	-27.6	36.1	0	0	0	112.9	I132 L133 L150 L153 A155 H158 N204	P129-I132 PolarHBondContact O-N 3.01Å; P129-L133 PolarHBondContact O-N 3.33Å; P129-L150 HydrophobicContact CB-CD2 3.91Å; P129-L153 HydrophobicContact CG-CD1 4.23Å; P129-A155 HydrophobicContact CB-CB 3.91Å; P129-A155 HydrophobicContact CG-CB 3.77Å; P129-H158 HydrophobicContact CB-CB 4.04Å; P129-H158 VanDerWaalsContact CB-CD2 3.44Å; P129-H158 WeakPolarHBondContact CB-CD2 3.26Å; P129-H158 VanDerWaalsContact CB-CG 3.45Å; P129-N204 WeakPolarHBondContact CD-OD1 3.21Å
130	D	78.1	Confident	76.3	Confident	87 Å²	87	68.9 Å²	68.9	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-39.6	177.1	-60.5	-41.7	0	0	0	112.9	T128 I132 L133 K134 H158	T128-D130 PolarHBondContact O-N 2.97Å; D130-I132 VanDerWaalsContact C-N 3.33Å; D130-L133 PolarHBondContact O-N 3.17Å; D130-K134 WeakPolarHBondContact O-CG 3.29Å; D130-K134 PolarHBondContact O-N 3.4Å; D130-H158 IonicContact OD1-CD2 2.73Å; D130-H158 PolarHBondContact OD1-CD2 3.01Å; D130-H158 IonicContact OD1-CE1 3.67Å; D130-H158 IonicContact OD1-NE2 2.81Å; D130-H158 PolarHBondContact OD1-NE2 3.41Å
131	N	80.1	Confident	76.9	Confident	69 Å²	69	66.5 Å²	66.5	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-39.8	176.9	-173.7	3.7	0	0	0	110.6	T128 K134 R135	T128-N131 PolarHBondContact O-N 3.45Å; T128-N131 VanDerWaalsContact O-N 3.1Å; T128-N131 WeakPolarHBondContact OG1-CB 3.46Å; T128-N131 PolarHBondContact OG1-N 2.66Å; N131-K134 PolarHBondContact O-N 3.19Å; N131-R135 VanDerWaalsContact O-CB 3.31Å; N131-R135 WeakPolarHBondContact O-CB 3.41Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 2.94Å; N131-R135 WeakPolarHBondContact OD1-CD 3.23Å
132	I	81.2	Confident	77.9	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-44	176.1	-66.6	158.4	0	0	0	111.1	Q127 T128 P129 D130 R135 A136 L141 A146 R149 L150 L153	Q127-I132 HydrophobicContact CB-CD1 4.2Å; Q127-I132 HydrophobicContact CB-CG1 4.23Å; T128-I132 PolarHBondContact O-N 3.27Å; T128-I132 VanDerWaalsContact O-N 3.1Å; P129-I132 PolarHBondContact O-N 3.01Å; D130-I132 VanDerWaalsContact C-N 3.33Å; I132-R135 PolarHBondContact O-N 3.48Å; I132-A136 WeakPolarHBondContact O-CB 3.35Å; I132-A136 PolarHBondContact O-N 3.1Å; I132-L141 HydrophobicContact CG2-CD1 4.48Å; I132-A146 HydrophobicContact CG2-CB 3.9Å; I132-R149 HydrophobicContact CD1-CB 3.79Å; I132-R149 HydrophobicContact CG1-CB 4.4Å; I132-R149 HydrophobicContact CG2-CB 4.35Å; I132-L150 HydrophobicContact CB-CD2 4.07Å; I132-L150 HydrophobicContact CB-CG 4.48Å; I132-L150 HydrophobicContact CD1-CD2 4.23Å; I132-L150 HydrophobicContact CG2-CD1 4.4Å; I132-L150 HydrophobicContact CG2-CD2 4.03Å; I132-L150 HydrophobicContact CG2-CG 3.87Å; I132-L153 HydrophobicContact CD1-CD1 3.25Å; I132-L153 HydrophobicContact CD1-CG 4.39Å
133	L	84.5	Confident	78.9	Confident	14 Å²	14	61 Å²	61	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-45.9	175.6	-71	-173	0	0	0	112.2	P129 D130 R135 A136 V137 L150 H158 K161 L162 I166	P129-L133 PolarHBondContact O-N 3.33Å; D130-L133 PolarHBondContact O-N 3.17Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.83Å; L133-A136 PolarHBondContact O-N 3.34Å; L133-V137 WeakPolarHBondContact O-CG2 3.34Å; L133-V137 PolarHBondContact O-N 2.88Å; L133-L150 HydrophobicContact CD2-CD1 3.73Å; L133-H158 HydrophobicContact CD1-CB 3.94Å; L133-H158 VanDerWaalsContact CD1-CD2 3.46Å; L133-H158 WeakPolarHBondContact CD1-CD2 3.23Å; L133-H158 HydrophobicContact CG-CB 4.24Å; L133-K161 HydrophobicContact CD1-CD 4.1Å; L133-L162 HydrophobicContact CD2-CB 3.99Å; L133-L162 HydrophobicContact CD2-CD1 4.4Å; L133-I166 HydrophobicContact CD2-CD1 3.85Å
134	K	85.2	Confident	80	Confident	133 Å²	133	56.3 Å²	56.3	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-57.2	-48.3	176.5	-75.4	178.7	179.9	-175.6	0	111.3	D130 N131 A136 V137 E138	D130-K134 WeakPolarHBondContact O-CG 3.29Å; D130-K134 PolarHBondContact O-N 3.4Å; N131-K134 PolarHBondContact O-N 3.19Å; K134-A136 VanDerWaalsContact C-N 3.29Å; K134-A136 PolarHBondContact O-N 3.44Å; K134-V137 PolarHBondContact O-N 3.4Å; K134-V137 VanDerWaalsContact O-N 3.16Å; K134-E138 WeakPolarHBondContact O-CB 3.35Å; K134-E138 VanDerWaalsContact O-CG 3.26Å; K134-E138 WeakPolarHBondContact O-CG 3.26Å; K134-E138 PolarHBondContact O-N 3.4Å
135	R	84.1	Confident	80.9	Confident	67 Å²	67	56.2 Å²	56.2	25%	0.253	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-30.6	179.5	-77.8	-174.1	67.1	176.9	1.5	113.9	N131 I132 L133 G139 S140 L141	N131-R135 VanDerWaalsContact O-CB 3.31Å; N131-R135 WeakPolarHBondContact O-CB 3.41Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.41Å; N131-R135 PolarHBondContact O-N 2.94Å; N131-R135 WeakPolarHBondContact OD1-CD 3.23Å; I132-R135 PolarHBondContact O-N 3.48Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.83Å; R135-G139 PolarHBondContact O-N 3.33Å; R135-S140 WeakPolarHBondContact CA-OG 3.4Å; R135-S140 WeakPolarHBondContact CB-OG 3.31Å; R135-S140 WeakPolarHBondContact CG-OG 3.41Å; R135-S140 PolarHBondContact NE-OG 3.5Å; R135-S140 PolarHBondContact O-N 3.09Å; R135-S140 PolarHBondContact O-OG 3.49Å; R135-L141 HydrophobicContact CB-CB 4.47Å; R135-L141 HydrophobicContact CB-CD1 3.56Å; R135-L141 HydrophobicContact CB-CG 4.13Å; R135-L141 HydrophobicContact CG-CD1 4.43Å; R135-L141 PolarHBondContact O-N 3.37Å
136	A	86.2	Confident	82.1	Confident	8 Å²	8	54.8 Å²	54.8	7%	0.066	30%	0.302	C	S	.	.	H	α-helix	trans	-70.9	-44	172.6	0	0	0	0	0	111.4	I132 L133 K134 E138 G139 A146 L162	I132-A136 WeakPolarHBondContact O-CB 3.35Å; I132-A136 PolarHBondContact O-N 3.1Å; L133-A136 PolarHBondContact O-N 3.34Å; K134-A136 VanDerWaalsContact C-N 3.29Å; K134-A136 PolarHBondContact O-N 3.44Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.46Å; A136-G139 PolarHBondContact O-N 3.35Å; A136-G139 VanDerWaalsContact O-N 3.08Å; A136-A146 HydrophobicContact CB-CB 3.79Å; A136-L162 HydrophobicContact CB-CD1 4.3Å
137	V	87.8	Confident	83.1	Confident	100 Å²	100	50.8 Å²	50.8	61%	0.606	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-37.5	175.3	174.6	0	0	0	0	111.7	L133 K134 G139 I166	L133-V137 WeakPolarHBondContact O-CG2 3.34Å; L133-V137 PolarHBondContact O-N 2.88Å; K134-V137 PolarHBondContact O-N 3.4Å; K134-V137 VanDerWaalsContact O-N 3.16Å; V137-G139 PolarHBondContact O-N 3.29Å; V137-I166 HydrophobicContact CG2-CD1 4.05Å; V137-I166 HydrophobicContact CG2-CG1 4.46Å; V137-I166 HydrophobicContact CG2-CG2 4.06Å
138	E	86.3	Confident	84	Confident	138 Å²	138	50.2 Å²	50.2	65%	0.645	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.5	175.2	-70.4	164.8	-169.5	0	0	113.4	K134 A136 S140	K134-E138 WeakPolarHBondContact O-CB 3.35Å; K134-E138 VanDerWaalsContact O-CG 3.26Å; K134-E138 WeakPolarHBondContact O-CG 3.26Å; K134-E138 PolarHBondContact O-N 3.4Å; A136-E138 VanDerWaalsContact C-N 3.32Å; A136-E138 PolarHBondContact O-N 3.46Å; E138-S140 PolarHBondContact O-N 2.83Å
139	G	82.2	Confident	84.6	Confident	62 Å²	62	52.3 Å²	52.3	64%	0.639	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	8.3	-176.8	0	0	0	0	0	115	R135 A136 V137 L141	R135-G139 PolarHBondContact O-N 3.33Å; A136-G139 PolarHBondContact O-N 3.35Å; A136-G139 VanDerWaalsContact O-N 3.08Å; V137-G139 PolarHBondContact O-N 3.29Å; G139-L141 VanDerWaalsContact C-N 3.28Å; G139-L141 PolarHBondContact O-N 2.88Å
140	S	84.2	Confident	85	Confident	61 Å²	61	52 Å²	52	43%	0.427	28%	0.284	S	S	.	.	S	Bend	trans	-76.1	-16.7	177.1	75.5	0	0	0	0	113.5	R135 E138	R135-S140 WeakPolarHBondContact CA-OG 3.4Å; R135-S140 WeakPolarHBondContact CB-OG 3.31Å; R135-S140 WeakPolarHBondContact CG-OG 3.41Å; R135-S140 PolarHBondContact NE-OG 3.5Å; R135-S140 PolarHBondContact O-N 3.09Å; R135-S140 PolarHBondContact O-OG 3.49Å; E138-S140 PolarHBondContact O-N 2.83Å
141	L	84.7	Confident	85.1	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.047	27%	0.267	C	S	.	.	S	Bend	trans	-127.4	138.3	174.3	-79.4	166.9	0	0	0	108.7	I132 R135 G139 E145 R149	I132-L141 HydrophobicContact CG2-CD1 4.48Å; R135-L141 HydrophobicContact CB-CB 4.47Å; R135-L141 HydrophobicContact CB-CD1 3.56Å; R135-L141 HydrophobicContact CB-CG 4.13Å; R135-L141 HydrophobicContact CG-CD1 4.43Å; R135-L141 PolarHBondContact O-N 3.37Å; G139-L141 VanDerWaalsContact C-N 3.28Å; G139-L141 PolarHBondContact O-N 2.88Å; L141-E145 HydrophobicContact CD2-CG 3.93Å; L141-E145 WeakPolarHBondContact CD2-OE1 3.45Å; L141-E145 WeakPolarHBondContact CD2-OE2 3.26Å; L141-R149 VanDerWaalsContact CD2-CZ 3.46Å
142	S	88.5	Confident	85	Confident	65 Å²	65	51.9 Å²	51.9	46%	0.455	28%	0.283	S	S	.	.			trans	-67	151.5	170.4	69.3	0	0	0	0	110.6	D144 E145 A146	S142-D144 VanDerWaalsContact C-N 3.29Å; S142-D144 PolarHBondContact O-N 3.13Å; S142-E145 PolarHBondContact O-N 2.61Å; S142-E145 WeakPolarHBondContact OG-CB 3.37Å; S142-E145 PolarHBondContact OG-N 3.37Å; S142-A146 WeakPolarHBondContact O-CB 3.31Å; S142-A146 PolarHBondContact O-N 3.09Å
143	N	88.9	Confident	84.6	Confident	39 Å²	39	53 Å²	53	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-38.2	179.4	-71.3	-23.2	0	0	0	112.5	A146 M147 Y170 W172	N143-A146 PolarHBondContact O-N 3.36Å; N143-M147 WeakPolarHBondContact O-CB 3.38Å; N143-M147 PolarHBondContact O-N 2.83Å; N143-Y170 HydrophobicContact CB-CD1 4.43Å; N143-Y170 HydrophobicContact CB-CD2 4.43Å; N143-Y170 HydrophobicContact CB-CE1 4.29Å; N143-Y170 HydrophobicContact CB-CE2 4.3Å; N143-Y170 HydrophobicContact CB-CG 4.49Å; N143-W172 HydrophobicContact CB-CH2 4.01Å; N143-W172 HydrophobicContact CB-CZ3 4.47Å
144	D	88.4	Confident	84.1	Confident	46 Å²	46	54.2 Å²	54.2	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-45.7	175.4	-81.2	-29.4	0	0	0	111.8	S142 A146 M147 D148 Y170	S142-D144 VanDerWaalsContact C-N 3.29Å; S142-D144 PolarHBondContact O-N 3.13Å; D144-A146 PolarHBondContact O-N 3.31Å; D144-M147 PolarHBondContact O-N 3.19Å; D144-D148 WeakPolarHBondContact O-CB 3.35Å; D144-D148 PolarHBondContact O-N 3.26Å; D144-Y170 PolarHBondContact OD2-OH 3.11Å
145	E	87	Confident	83.6	Confident	75 Å²	75	48.1 Å²	48.1	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-38.2	178.4	-172.5	-177.5	175.5	0	0	112	L141 S142 D148 R149	L141-E145 HydrophobicContact CD2-CG 3.93Å; L141-E145 WeakPolarHBondContact CD2-OE1 3.45Å; L141-E145 WeakPolarHBondContact CD2-OE2 3.26Å; S142-E145 PolarHBondContact O-N 2.61Å; S142-E145 WeakPolarHBondContact OG-CB 3.37Å; S142-E145 PolarHBondContact OG-N 3.37Å; E145-D148 PolarHBondContact O-N 2.94Å; E145-R149 WeakPolarHBondContact O-CB 3.42Å; E145-R149 VanDerWaalsContact O-CG 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 IonicContact OE1-CZ 3.24Å; E145-R149 VanDerWaalsContact OE1-CZ 3.24Å; E145-R149 IonicContact OE1-NE 3.91Å; E145-R149 PolarHBondContact OE1-NE 3.4Å; E145-R149 IonicContact OE1-NH2 2.58Å; E145-R149 PolarHBondContact OE1-NH2 3.14Å
146	A	87.9	Confident	83.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-46.4	174.3	0	0	0	0	0	110.9	I132 A136 S142 N143 D144 D148 R149 L150 L162	I132-A146 HydrophobicContact CG2-CB 3.9Å; A136-A146 HydrophobicContact CB-CB 3.79Å; S142-A146 WeakPolarHBondContact O-CB 3.31Å; S142-A146 PolarHBondContact O-N 3.09Å; N143-A146 PolarHBondContact O-N 3.36Å; D144-A146 PolarHBondContact O-N 3.31Å; A146-D148 PolarHBondContact O-N 3.11Å; A146-R149 PolarHBondContact O-N 3.15Å; A146-L150 VanDerWaalsContact O-CG 3.26Å; A146-L150 WeakPolarHBondContact O-CG 3.36Å; A146-L150 PolarHBondContact O-N 3.28Å; A146-L162 HydrophobicContact CB-CD2 3.88Å
147	M	88.8	Confident	83.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-45.6	176.8	-173.1	63.1	77.4	0	0	111.5	N143 D144 R149 L150 I151 L162 W172 T176 L180	N143-M147 WeakPolarHBondContact O-CB 3.38Å; N143-M147 PolarHBondContact O-N 2.83Å; D144-M147 PolarHBondContact O-N 3.19Å; M147-R149 VanDerWaalsContact C-N 3.33Å; M147-R149 PolarHBondContact O-N 3.29Å; M147-L150 PolarHBondContact O-N 3.49Å; M147-I151 HydrophobicContact CG-CD1 3.83Å; M147-I151 HydrophobicContact CG-CG1 4.46Å; M147-I151 WeakPolarHBondContact O-CB 3.34Å; M147-I151 VanDerWaalsContact O-CG1 3.28Å; M147-I151 WeakPolarHBondContact O-CG1 3.43Å; M147-I151 PolarHBondContact O-N 2.96Å; M147-I151 HydrophobicContact SD-CD1 4.25Å; M147-I151 HydrophobicContact SD-CG1 4.43Å; M147-L162 HydrophobicContact CB-CD2 3.94Å; M147-L162 HydrophobicContact CE-CB 4.21Å; M147-L162 HydrophobicContact CE-CD2 3.93Å; M147-L162 HydrophobicContact CE-CG 4.14Å; M147-L162 HydrophobicContact SD-CD2 4.36Å; M147-W172 HydrophobicContact CB-CH2 4.08Å; M147-W172 HydrophobicContact CB-CZ3 3.72Å; M147-W172 HydrophobicContact CE-CE3 4.5Å; M147-W172 HydrophobicContact CE-CH2 3.52Å; M147-W172 HydrophobicContact CE-CZ2 3.85Å; M147-W172 HydrophobicContact CE-CZ3 3.9Å; M147-W172 HydrophobicContact CG-CH2 4.46Å; M147-W172 HydrophobicContact CG-CZ3 4.03Å; M147-T176 HydrophobicContact CB-CG2 4.28Å; M147-T176 HydrophobicContact CG-CG2 3.59Å; M147-L180 HydrophobicContact CE-CD2 4.22Å; M147-L180 HydrophobicContact SD-CD1 4.09Å
148	D	85.6	Confident	83.1	Confident	55 Å²	55	47 Å²	47	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-43.1	177.1	-90.9	-24.8	0	0	0	112.6	D144 E145 A146 I151 L152 R179	D144-D148 WeakPolarHBondContact O-CB 3.35Å; D144-D148 PolarHBondContact O-N 3.26Å; E145-D148 PolarHBondContact O-N 2.94Å; A146-D148 PolarHBondContact O-N 3.11Å; D148-I151 PolarHBondContact O-N 3.46Å; D148-L152 WeakPolarHBondContact O-CB 3.48Å; D148-L152 WeakPolarHBondContact O-CD1 3.49Å; D148-L152 WeakPolarHBondContact O-CG 3.14Å; D148-L152 PolarHBondContact O-N 2.9Å; D148-R179 IonicContact OD1-CZ 3.55Å; D148-R179 IonicContact OD1-NH1 3.7Å; D148-R179 PolarHBondContact OD1-NH1 3.5Å; D148-R179 IonicContact OD1-NH2 3.36Å; D148-R179 PolarHBondContact OD1-NH2 2.96Å
149	R	82.4	Confident	83.1	Confident	63 Å²	63	40.4 Å²	40.4	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-40.8	176.9	-71.4	176.7	-177.8	-164.7	6.3	111.9	I132 L141 E145 A146 M147 L152 L153	I132-R149 HydrophobicContact CD1-CB 3.79Å; I132-R149 HydrophobicContact CG1-CB 4.4Å; I132-R149 HydrophobicContact CG2-CB 4.35Å; L141-R149 VanDerWaalsContact CD2-CZ 3.46Å; E145-R149 WeakPolarHBondContact O-CB 3.42Å; E145-R149 VanDerWaalsContact O-CG 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 IonicContact OE1-CZ 3.24Å; E145-R149 VanDerWaalsContact OE1-CZ 3.24Å; E145-R149 IonicContact OE1-NE 3.91Å; E145-R149 PolarHBondContact OE1-NE 3.4Å; E145-R149 IonicContact OE1-NH2 2.58Å; E145-R149 PolarHBondContact OE1-NH2 3.14Å; A146-R149 PolarHBondContact O-N 3.15Å; M147-R149 VanDerWaalsContact C-N 3.33Å; M147-R149 PolarHBondContact O-N 3.29Å; R149-L152 PolarHBondContact O-N 2.99Å; R149-L153 WeakPolarHBondContact O-CB 3.28Å; R149-L153 VanDerWaalsContact O-CG 3.29Å; R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 3.02Å
150	L	83.2	Confident	83.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-38.8	177	-67.9	171.4	0	0	0	111.9	P129 I132 L133 A146 M147 L153 L154 A155 H158 S159 L162	P129-L150 HydrophobicContact CB-CD2 3.91Å; I132-L150 HydrophobicContact CB-CD2 4.07Å; I132-L150 HydrophobicContact CB-CG 4.48Å; I132-L150 HydrophobicContact CD1-CD2 4.23Å; I132-L150 HydrophobicContact CG2-CD1 4.4Å; I132-L150 HydrophobicContact CG2-CD2 4.03Å; I132-L150 HydrophobicContact CG2-CG 3.87Å; L133-L150 HydrophobicContact CD2-CD1 3.73Å; A146-L150 VanDerWaalsContact O-CG 3.26Å; A146-L150 WeakPolarHBondContact O-CG 3.36Å; A146-L150 PolarHBondContact O-N 3.28Å; M147-L150 PolarHBondContact O-N 3.49Å; L150-L153 CarbonylContact O-C 3.58Å; L150-L153 PolarHBondContact O-N 3.44Å; L150-L154 PolarHBondContact O-N 3.21Å; L150-L154 VanDerWaalsContact O-N 3.07Å; L150-A155 HydrophobicContact CD2-CB 4.32Å; L150-A155 PolarHBondContact O-N 3.23Å; L150-H158 HydrophobicContact CD1-CB 4.26Å; L150-H158 HydrophobicContact CD2-CB 3.77Å; L150-S159 VanDerWaalsContact CB-OG 3.25Å; L150-S159 WeakPolarHBondContact CB-OG 3.41Å; L150-L162 HydrophobicContact CD1-CB 4.22Å; L150-L162 HydrophobicContact CD1-CD2 3.89Å
151	I	80.9	Confident	83.6	Confident	18 Å²	18	41 Å²	41	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-42.4	173.4	-68.5	168.3	0	0	0	110.9	M147 D148 L153 L154 R179 L183	M147-I151 HydrophobicContact CG-CD1 3.83Å; M147-I151 HydrophobicContact CG-CG1 4.46Å; M147-I151 WeakPolarHBondContact O-CB 3.34Å; M147-I151 VanDerWaalsContact O-CG1 3.28Å; M147-I151 WeakPolarHBondContact O-CG1 3.43Å; M147-I151 PolarHBondContact O-N 2.96Å; M147-I151 HydrophobicContact SD-CD1 4.25Å; M147-I151 HydrophobicContact SD-CG1 4.43Å; D148-I151 PolarHBondContact O-N 3.46Å; I151-L153 VanDerWaalsContact C-N 3.3Å; I151-L153 PolarHBondContact O-N 3.32Å; I151-L154 WeakPolarHBondContact O-CA 3.31Å; I151-L154 PolarHBondContact O-N 2.62Å; I151-R179 HydrophobicContact CD1-CB 4.01Å; I151-L183 HydrophobicContact CG1-CD2 4.08Å
152	L	77.7	Confident	83.9	Confident	135 Å²	135	40.6 Å²	40.6	71%	0.707	20%	0.203	S	C	*	.	H	α-helix	trans	-65.2	-33.3	176.1	-76.3	167.5	0	0	0	112.9	D148 R149 L154	D148-L152 WeakPolarHBondContact O-CB 3.48Å; D148-L152 WeakPolarHBondContact O-CD1 3.49Å; D148-L152 WeakPolarHBondContact O-CG 3.14Å; D148-L152 PolarHBondContact O-N 2.9Å; R149-L152 PolarHBondContact O-N 2.99Å; L152-L154 PolarHBondContact O-N 3.21Å
153	L	71.5	Confident	84	Confident	24 Å²	24	37.7 Å²	37.7	13%	0.126	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0	170.9	-69.2	178.1	0	0	0	112.9	I126 Q127 P129 I132 R149 L150 I151 A155 W205	I126-L153 HydrophobicContact CG2-CD2 3.35Å; Q127-L153 VanDerWaalsContact O-CD1 3.27Å; Q127-L153 WeakPolarHBondContact O-CD1 3.35Å; P129-L153 HydrophobicContact CG-CD1 4.23Å; I132-L153 HydrophobicContact CD1-CD1 3.25Å; I132-L153 HydrophobicContact CD1-CG 4.39Å; R149-L153 WeakPolarHBondContact O-CB 3.28Å; R149-L153 VanDerWaalsContact O-CG 3.29Å; R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 3.02Å; L150-L153 CarbonylContact O-C 3.58Å; L150-L153 PolarHBondContact O-N 3.44Å; I151-L153 VanDerWaalsContact C-N 3.3Å; I151-L153 PolarHBondContact O-N 3.32Å; L153-A155 HydrophobicContact CB-CB 4.47Å; L153-A155 PolarHBondContact O-N 3.12Å; L153-W205 PolarHBondContact O-NE1 3.15Å
154	L	75	Confident	84	Confident	39 Å²	39	41.4 Å²	41.4	20%	0.204	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.8	-176.1	-63.4	170.4	0	0	0	111.6	L150 I151 L152 P156 L183 L200 W205	L150-L154 PolarHBondContact O-N 3.21Å; L150-L154 VanDerWaalsContact O-N 3.07Å; I151-L154 WeakPolarHBondContact O-CA 3.31Å; I151-L154 PolarHBondContact O-N 2.62Å; L152-L154 PolarHBondContact O-N 3.21Å; L154-P156 WeakPolarHBondContact O-CD 3.45Å; L154-L183 HydrophobicContact CB-CD1 4.23Å; L154-L183 HydrophobicContact CD2-CD1 3.74Å; L154-L200 WeakPolarHBondContact O-CD2 3.18Å; L154-W205 HydrophobicContact CB-CD2 4.37Å; L154-W205 HydrophobicContact CB-CH2 3.89Å; L154-W205 HydrophobicContact CB-CZ2 3.25Å; L154-W205 HydrophobicContact CD1-CE3 4.44Å; L154-W205 HydrophobicContact CD1-CH2 3.22Å; L154-W205 HydrophobicContact CD1-CZ2 3.57Å; L154-W205 HydrophobicContact CD1-CZ3 3.7Å; L154-W205 HydrophobicContact CG-CH2 4.16Å; L154-W205 HydrophobicContact CG-CZ2 4.03Å; L154-W205 PolarHBondContact O-NE1 2.8Å
155	A	74.5	Confident	84.1	Confident	6 Å²	6	45.2 Å²	45.2	5%	0.05	21%	0.212	C	C	.	.			trans	-99.1	86.7	-177.7	0	0	0	0	0	111.1	P129 L150 L153 H158 S159	P129-A155 HydrophobicContact CB-CB 3.91Å; P129-A155 HydrophobicContact CG-CB 3.77Å; L150-A155 HydrophobicContact CD2-CB 4.32Å; L150-A155 PolarHBondContact O-N 3.23Å; L153-A155 HydrophobicContact CB-CB 4.47Å; L153-A155 PolarHBondContact O-N 3.12Å; A155-H158 HydrophobicContact CB-CB 4.17Å; A155-S159 VanDerWaalsContact O-CB 3.32Å; A155-S159 WeakPolarHBondContact O-CB 3.37Å; A155-S159 PolarHBondContact O-N 2.68Å; A155-S159 PolarHBondContact O-OG 3.41Å
156	P	79.7	Confident	84	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.032	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-41.1	-171	27.2	-36.8	0	0	0	113.3	L154 S159 W160 L183 L184 T187 G190	L154-P156 WeakPolarHBondContact O-CD 3.45Å; P156-S159 PolarHBondContact O-N 3.27Å; P156-W160 VanDerWaalsContact O-CB 3.27Å; P156-W160 WeakPolarHBondContact O-CB 3.33Å; P156-W160 PolarHBondContact O-N 2.96Å; P156-L183 HydrophobicContact CB-CG 4.31Å; P156-L184 HydrophobicContact CB-CD2 4.16Å; P156-T187 VanDerWaalsContact CB-OG1 3.27Å; P156-T187 WeakPolarHBondContact CB-OG1 3.09Å; P156-T187 HydrophobicContact CG-CG2 4.26Å; P156-G190 VanDerWaalsContact CG-CA 3.48Å
157	E	82.5	Confident	84	Confident	105 Å²	105	44.7 Å²	44.7	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-64.1	-47.3	-179.6	-62.5	-169.6	157.1	0	0	111.5	W160 K161	E157-W160 PolarHBondContact O-N 3.13Å; E157-K161 VanDerWaalsContact O-CB 3.31Å; E157-K161 WeakPolarHBondContact O-CB 3.37Å; E157-K161 PolarHBondContact O-N 2.81Å
158	H	84.5	Confident	83.8	Confident	41 Å²	41	47.4 Å²	47.4	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-40.9	177.6	-61.2	74.5	0	0	0	112	P129 D130 L133 L150 A155 K161 L162	P129-H158 HydrophobicContact CB-CB 4.04Å; P129-H158 VanDerWaalsContact CB-CD2 3.44Å; P129-H158 WeakPolarHBondContact CB-CD2 3.26Å; P129-H158 VanDerWaalsContact CB-CG 3.45Å; D130-H158 IonicContact OD1-CD2 2.73Å; D130-H158 PolarHBondContact OD1-CD2 3.01Å; D130-H158 IonicContact OD1-CE1 3.67Å; D130-H158 IonicContact OD1-NE2 2.81Å; D130-H158 PolarHBondContact OD1-NE2 3.41Å; L133-H158 HydrophobicContact CD1-CB 3.94Å; L133-H158 VanDerWaalsContact CD1-CD2 3.46Å; L133-H158 WeakPolarHBondContact CD1-CD2 3.23Å; L133-H158 HydrophobicContact CG-CB 4.24Å; L150-H158 HydrophobicContact CD1-CB 4.26Å; L150-H158 HydrophobicContact CD2-CB 3.77Å; A155-H158 HydrophobicContact CB-CB 4.17Å; H158-K161 PolarHBondContact O-N 3.4Å; H158-L162 PolarHBondContact O-N 3.35Å
159	S	86.3	Confident	83.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176.2	-55.7	0	0	0	0	111.1	L150 A155 P156 L162 Y163	L150-S159 VanDerWaalsContact CB-OG 3.25Å; L150-S159 WeakPolarHBondContact CB-OG 3.41Å; A155-S159 VanDerWaalsContact O-CB 3.32Å; A155-S159 WeakPolarHBondContact O-CB 3.37Å; A155-S159 PolarHBondContact O-N 2.68Å; A155-S159 PolarHBondContact O-OG 3.41Å; P156-S159 PolarHBondContact O-N 3.27Å; S159-L162 PolarHBondContact O-N 3.33Å; S159-Y163 PolarHBondContact O-N 3.08Å; S159-Y163 VanDerWaalsContact O-N 3.1Å
160	W	88.6	Confident	83.9	Confident	40 Å²	40	53.5 Å²	53.5	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-40.7	175.7	-177.4	-118.2	0	0	0	112.1	P156 E157 Y163 K164 L184 P270 K273 L274	P156-W160 VanDerWaalsContact O-CB 3.27Å; P156-W160 WeakPolarHBondContact O-CB 3.33Å; P156-W160 PolarHBondContact O-N 2.96Å; E157-W160 PolarHBondContact O-N 3.13Å; W160-Y163 AromaticContact CE3-CD1 3.93Å; W160-Y163 HydrophobicContact CE3-CD1 3.93Å; W160-Y163 HydrophobicContact CH2-CD1 4.22Å; W160-Y163 HydrophobicContact CH2-CE1 4.27Å; W160-Y163 AromaticContact CZ3-CD1 3.58Å; W160-Y163 HydrophobicContact CZ3-CD1 3.58Å; W160-Y163 AromaticContact CZ3-CE1 3.89Å; W160-Y163 HydrophobicContact CZ3-CE1 3.89Å; W160-Y163 PolarHBondContact O-N 3.1Å; W160-K164 HydrophobicContact CZ2-CD 3.98Å; W160-K164 VanDerWaalsContact O-CB 3.3Å; W160-K164 WeakPolarHBondContact O-CB 3.42Å; W160-K164 PolarHBondContact O-N 3.26Å; W160-L184 HydrophobicContact CB-CD2 4.37Å; W160-L184 HydrophobicContact CE3-CD1 3.83Å; W160-L184 HydrophobicContact CZ3-CD1 4.17Å; W160-P270 HydrophobicContact CD2-CB 3.75Å; W160-P270 HydrophobicContact CE3-CB 4.07Å; W160-P270 HydrophobicContact CG-CB 4.1Å; W160-P270 HydrophobicContact CG-CG 4.49Å; W160-P270 HydrophobicContact CH2-CB 4.43Å; W160-P270 WeakPolarHBondContact CH2-O 3.3Å; W160-P270 HydrophobicContact CZ2-CB 4.14Å; W160-P270 HydrophobicContact CZ3-CB 4.41Å; W160-K273 HydrophobicContact CH2-CB 4Å; W160-K273 HydrophobicContact CZ2-CB 4.18Å; W160-L274 HydrophobicContact CH2-CB 4.38Å; W160-L274 HydrophobicContact CZ3-CB 3.94Å; W160-L274 HydrophobicContact CZ3-CD1 4.3Å
161	K	89.4	Confident	84.1	Confident	96 Å²	96	63 Å²	63	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.1	-167.5	175.2	-175.6	177.2	0	112	L133 E157 H158 Y163 E165 I166	L133-K161 HydrophobicContact CD1-CD 4.1Å; E157-K161 VanDerWaalsContact O-CB 3.31Å; E157-K161 WeakPolarHBondContact O-CB 3.37Å; E157-K161 PolarHBondContact O-N 2.81Å; H158-K161 PolarHBondContact O-N 3.4Å; K161-Y163 PolarHBondContact O-N 3.07Å; K161-E165 WeakPolarHBondContact CE-OE2 3.5Å; K161-E165 HydrophobicContact CG-CB 4.25Å; K161-E165 HydrophobicContact CG-CG 4.36Å; K161-E165 WeakPolarHBondContact CG-OE2 3.41Å; K161-E165 WeakPolarHBondContact O-CA 3.33Å; K161-E165 WeakPolarHBondContact O-CB 3.49Å; K161-E165 PolarHBondContact O-N 3.07Å; K161-I166 PolarHBondContact O-N 3.12Å
162	L	89.8	Confident	84.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-59.9	-46.3	175.2	-177	63.9	0	0	0	111.4	L133 A136 A146 M147 L150 H158 S159 I166 A167 W172	L133-L162 HydrophobicContact CD2-CB 3.99Å; L133-L162 HydrophobicContact CD2-CD1 4.4Å; A136-L162 HydrophobicContact CB-CD1 4.3Å; A146-L162 HydrophobicContact CB-CD2 3.88Å; M147-L162 HydrophobicContact CB-CD2 3.94Å; M147-L162 HydrophobicContact CE-CB 4.21Å; M147-L162 HydrophobicContact CE-CD2 3.93Å; M147-L162 HydrophobicContact CE-CG 4.14Å; M147-L162 HydrophobicContact SD-CD2 4.36Å; L150-L162 HydrophobicContact CD1-CB 4.22Å; L150-L162 HydrophobicContact CD1-CD2 3.89Å; H158-L162 PolarHBondContact O-N 3.35Å; S159-L162 PolarHBondContact O-N 3.33Å; L162-I166 HydrophobicContact CD1-CB 4.06Å; L162-I166 HydrophobicContact CD1-CD1 4.19Å; L162-I166 HydrophobicContact CD1-CG2 3.98Å; L162-A167 PolarHBondContact O-N 3.18Å; L162-W172 HydrophobicContact CD2-CH2 4.21Å; L162-W172 HydrophobicContact CG-CH2 4.23Å
163	Y	91.3	Very high	85.1	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.012	29%	0.288	C	S	.	.	I	π-helix	trans	-67.9	-45.8	179.3	173.8	-98.1	0	0	0	113.2	S159 W160 K161 W172 L177 L180 L274 K277 E278	S159-Y163 PolarHBondContact O-N 3.08Å; S159-Y163 VanDerWaalsContact O-N 3.1Å; W160-Y163 AromaticContact CE3-CD1 3.93Å; W160-Y163 HydrophobicContact CE3-CD1 3.93Å; W160-Y163 HydrophobicContact CH2-CD1 4.22Å; W160-Y163 HydrophobicContact CH2-CE1 4.27Å; W160-Y163 AromaticContact CZ3-CD1 3.58Å; W160-Y163 HydrophobicContact CZ3-CD1 3.58Å; W160-Y163 AromaticContact CZ3-CE1 3.89Å; W160-Y163 HydrophobicContact CZ3-CE1 3.89Å; W160-Y163 PolarHBondContact O-N 3.1Å; K161-Y163 PolarHBondContact O-N 3.07Å; Y163-W172 AromaticContact CD2-CD1 3.65Å; Y163-W172 AromaticContact CD2-CE2 3.99Å; Y163-W172 HydrophobicContact CD2-CG 4.32Å; Y163-W172 AromaticContact CD2-NE1 3.42Å; Y163-W172 AromaticContact CE2-CD1 3.63Å; Y163-W172 HydrophobicContact CE2-CG 4.42Å; Y163-W172 AromaticContact CE2-NE1 3.83Å; Y163-L177 HydrophobicContact CD2-CD2 4.34Å; Y163-L177 HydrophobicContact CE2-CD2 3.83Å; Y163-L180 HydrophobicContact CD2-CD2 4.18Å; Y163-L180 HydrophobicContact CG-CD2 4Å; Y163-L274 HydrophobicContact CD1-CD1 4.17Å; Y163-L274 HydrophobicContact CE1-CD1 3.57Å; Y163-L274 HydrophobicContact CE2-CD1 3.96Å; Y163-L274 VanDerWaalsContact CZ-CD1 3.46Å; Y163-K277 WeakPolarHBondContact OH-CD 3.24Å; Y163-K277 WeakPolarHBondContact OH-CE 3.36Å; Y163-K277 PolarHBondContact OH-NZ 3.05Å; Y163-E278 WeakPolarHBondContact OH-CG 3.21Å; Y163-E278 PolarHBondContact OH-OE1 3.38Å
164	K	90	Very high	85.9	Confident	118 Å²	118	61.6 Å²	61.6	51%	0.513	30%	0.302	S	S	.	.	I	π-helix	trans	-87.6	-40.1	-170.3	-172.5	-174	174.9	-165.6	0	113.6	W160	W160-K164 HydrophobicContact CZ2-CD 3.98Å; W160-K164 VanDerWaalsContact O-CB 3.3Å; W160-K164 WeakPolarHBondContact O-CB 3.42Å; W160-K164 PolarHBondContact O-N 3.26Å
165	E	89.6	Confident	86.7	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	32%	0.319	S	S	*	.	I	π-helix	trans	-106.3	-40.7	-169	-62.5	179.6	-172.4	0	0	113.1	K161	K161-E165 WeakPolarHBondContact CE-OE2 3.5Å; K161-E165 HydrophobicContact CG-CB 4.25Å; K161-E165 HydrophobicContact CG-CG 4.36Å; K161-E165 WeakPolarHBondContact CG-OE2 3.41Å; K161-E165 WeakPolarHBondContact O-CA 3.33Å; K161-E165 WeakPolarHBondContact O-CB 3.49Å; K161-E165 PolarHBondContact O-N 3.07Å
166	I	85.7	Confident	87.4	Confident	56 Å²	56	65 Å²	65	29%	0.287	32%	0.32	S	S	.	.	I	π-helix	trans	-89.8	-43	-171.4	-59.6	173.7	0	0	0	111.7	L133 V137 K161 L162	L133-I166 HydrophobicContact CD2-CD1 3.85Å; V137-I166 HydrophobicContact CG2-CD1 4.05Å; V137-I166 HydrophobicContact CG2-CG1 4.46Å; V137-I166 HydrophobicContact CG2-CG2 4.06Å; K161-I166 PolarHBondContact O-N 3.12Å; L162-I166 HydrophobicContact CD1-CB 4.06Å; L162-I166 HydrophobicContact CD1-CD1 4.19Å; L162-I166 HydrophobicContact CD1-CG2 3.98Å
167	A	86.2	Confident	88	Confident	7 Å²	7	64.9 Å²	64.9	6%	0.058	32%	0.319	C	S	.	.			trans	-128.5	56.3	-175.3	0	0	0	0	0	112.5	L162 D169 Y170 W172	L162-A167 PolarHBondContact O-N 3.18Å; A167-D169 VanDerWaalsContact C-N 3.32Å; A167-D169 PolarHBondContact O-N 2.97Å; A167-Y170 PolarHBondContact O-N 2.77Å; A167-W172 HydrophobicContact CB-CZ2 3.93Å
168	P	85.6	Confident	88.5	Confident	59 Å²	59	60.9 Å²	60.9	38%	0.383	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.1	-176.2	27.5	-35.1	0	0	0	113.4
169	D	83.5	Confident	88.7	Confident	156 Å²	156	62.4 Å²	62.4	83%	0.834	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3.5	-176.5	-58.8	-38.9	0	0	0	113.2	A167	A167-D169 VanDerWaalsContact C-N 3.32Å; A167-D169 PolarHBondContact O-N 2.97Å
170	Y	87	Confident	89	Confident	89 Å²	89	62.5 Å²	62.5	35%	0.349	31%	0.305	S	S	.	.			trans	-75.1	135	-178.1	-167.8	-99.1	0	0	0	111.2	N143 D144 A167 W172	N143-Y170 HydrophobicContact CB-CD1 4.43Å; N143-Y170 HydrophobicContact CB-CD2 4.43Å; N143-Y170 HydrophobicContact CB-CE1 4.29Å; N143-Y170 HydrophobicContact CB-CE2 4.3Å; N143-Y170 HydrophobicContact CB-CG 4.49Å; D144-Y170 PolarHBondContact OD2-OH 3.11Å; A167-Y170 PolarHBondContact O-N 2.77Å; Y170-W172 AromaticContact CD1-CD2 3.73Å; Y170-W172 HydrophobicContact CD1-CD2 3.73Å; Y170-W172 AromaticContact CD1-CE2 3.85Å; Y170-W172 AromaticContact CD1-CE3 3.88Å; Y170-W172 HydrophobicContact CD1-CE3 3.88Å; Y170-W172 HydrophobicContact CD1-CG 4.19Å; Y170-W172 HydrophobicContact CD1-CH2 4.32Å; Y170-W172 HydrophobicContact CD1-CZ2 4.18Å; Y170-W172 HydrophobicContact CD1-CZ3 4.16Å; Y170-W172 HydrophobicContact CE1-CD2 4.42Å; Y170-W172 HydrophobicContact CE1-CE3 4.14Å; Y170-W172 HydrophobicContact CE1-CZ3 4.32Å; Y170-W172 PolarHBondContact O-N 3.44Å
171	K	87.4	Confident	89.1	Confident	199 Å²	199	60.6 Å²	60.6	87%	0.865	30%	0.298	S	S	*	.			trans	-80.5	84.2	177.8	-69.6	-174.7	179.4	-179.3	0	110.6
172	W	88.5	Confident	89.1	Confident	22 Å²	22	59.2 Å²	59.2	8%	0.083	29%	0.294	C	S	.	.			trans	-64.1	141.7	177.2	-62.1	99.6	0	0	0	112.4	N143 M147 L162 Y163 A167 Y170 T176 L177	N143-W172 HydrophobicContact CB-CH2 4.01Å; N143-W172 HydrophobicContact CB-CZ3 4.47Å; M147-W172 HydrophobicContact CB-CH2 4.08Å; M147-W172 HydrophobicContact CB-CZ3 3.72Å; M147-W172 HydrophobicContact CE-CE3 4.5Å; M147-W172 HydrophobicContact CE-CH2 3.52Å; M147-W172 HydrophobicContact CE-CZ2 3.85Å; M147-W172 HydrophobicContact CE-CZ3 3.9Å; M147-W172 HydrophobicContact CG-CH2 4.46Å; M147-W172 HydrophobicContact CG-CZ3 4.03Å; L162-W172 HydrophobicContact CD2-CH2 4.21Å; L162-W172 HydrophobicContact CG-CH2 4.23Å; Y163-W172 AromaticContact CD2-CD1 3.65Å; Y163-W172 AromaticContact CD2-CE2 3.99Å; Y163-W172 HydrophobicContact CD2-CG 4.32Å; Y163-W172 AromaticContact CD2-NE1 3.42Å; Y163-W172 AromaticContact CE2-CD1 3.63Å; Y163-W172 HydrophobicContact CE2-CG 4.42Å; Y163-W172 AromaticContact CE2-NE1 3.83Å; A167-W172 HydrophobicContact CB-CZ2 3.93Å; Y170-W172 AromaticContact CD1-CD2 3.73Å; Y170-W172 HydrophobicContact CD1-CD2 3.73Å; Y170-W172 AromaticContact CD1-CE2 3.85Å; Y170-W172 AromaticContact CD1-CE3 3.88Å; Y170-W172 HydrophobicContact CD1-CE3 3.88Å; Y170-W172 HydrophobicContact CD1-CG 4.19Å; Y170-W172 HydrophobicContact CD1-CH2 4.32Å; Y170-W172 HydrophobicContact CD1-CZ2 4.18Å; Y170-W172 HydrophobicContact CD1-CZ3 4.16Å; Y170-W172 HydrophobicContact CE1-CD2 4.42Å; Y170-W172 HydrophobicContact CE1-CE3 4.14Å; Y170-W172 HydrophobicContact CE1-CZ3 4.32Å; Y170-W172 PolarHBondContact O-N 3.44Å; W172-T176 HydrophobicContact CE3-CG2 3.88Å; W172-T176 HydrophobicContact CZ3-CG2 4.27Å; W172-L177 HydrophobicContact CB-CD1 4.25Å; W172-L177 HydrophobicContact CB-CD2 3.77Å; W172-L177 HydrophobicContact CB-CG 3.82Å; W172-L177 HydrophobicContact CG-CD2 4.2Å
173	T	89.8	Confident	88.9	Confident	67 Å²	67	59.5 Å²	59.5	41%	0.411	30%	0.296	S	S	.	.			trans	-72	151.6	174.5	80.7	0	0	0	0	111.3	N175 T176 L177	T173-N175 PolarHBondContact O-N 2.91Å; T173-T176 PolarHBondContact O-N 3.34Å; T173-T176 VanDerWaalsContact O-N 3.13Å; T173-T176 PolarHBondContact OG1-N 2.89Å; T173-T176 PolarHBondContact OG1-OG1 3.04Å; T173-L177 PolarHBondContact O-N 2.94Å
174	S	88.9	Confident	88.7	Confident	59 Å²	59	59.4 Å²	59.4	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-55.3	-40.3	176.7	178.8	0	0	0	0	112.2	L177 H178	S174-L177 PolarHBondContact O-N 2.94Å; S174-H178 PolarHBondContact O-N 2.93Å; S174-H178 PolarHBondContact O-ND1 3.31Å; S174-H178 PolarHBondContact OG-CE1 3Å; S174-H178 PolarHBondContact OG-ND1 2.85Å
175	N	90.9	Very high	88.6	Confident	106 Å²	106	53.9 Å²	53.9	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-65.3	-42.1	178.6	-172.6	30.4	0	0	0	112.1	T173 L177 H178 R179	T173-N175 PolarHBondContact O-N 2.91Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 3.16Å; N175-H178 PolarHBondContact O-N 3.41Å; N175-R179 WeakPolarHBondContact O-CG 3.39Å; N175-R179 PolarHBondContact O-N 3.34Å
176	T	90.3	Very high	88.1	Confident	12 Å²	12	49.7 Å²	49.7	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-42.6	176.9	-49.5	0	0	0	0	111.1	M147 W172 T173 R179 L180	M147-T176 HydrophobicContact CB-CG2 4.28Å; M147-T176 HydrophobicContact CG-CG2 3.59Å; W172-T176 HydrophobicContact CE3-CG2 3.88Å; W172-T176 HydrophobicContact CZ3-CG2 4.27Å; T173-T176 PolarHBondContact O-N 3.34Å; T173-T176 VanDerWaalsContact O-N 3.13Å; T173-T176 PolarHBondContact OG1-N 2.89Å; T173-T176 PolarHBondContact OG1-OG1 3.04Å; T176-R179 PolarHBondContact O-N 3.3Å; T176-L180 WeakPolarHBondContact O-CB 3.3Å; T176-L180 PolarHBondContact O-N 2.8Å
177	L	92.3	Very high	87.6	Confident	2 Å²	2	47 Å²	47	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.5	-68.4	174.5	0	0	0	112.5	Y163 W172 T173 S174 N175 L180 L181 L274 E278 I281 L282	Y163-L177 HydrophobicContact CD2-CD2 4.34Å; Y163-L177 HydrophobicContact CE2-CD2 3.83Å; W172-L177 HydrophobicContact CB-CD1 4.25Å; W172-L177 HydrophobicContact CB-CD2 3.77Å; W172-L177 HydrophobicContact CB-CG 3.82Å; W172-L177 HydrophobicContact CG-CD2 4.2Å; T173-L177 PolarHBondContact O-N 2.94Å; S174-L177 PolarHBondContact O-N 2.94Å; N175-L177 VanDerWaalsContact C-N 3.34Å; N175-L177 PolarHBondContact O-N 3.16Å; L177-L180 PolarHBondContact O-N 2.92Å; L177-L181 WeakPolarHBondContact O-CB 2.67Å; L177-L181 PolarHBondContact O-N 3.16Å; L177-L274 HydrophobicContact CD2-CD1 4.24Å; L177-E278 HydrophobicContact CD1-CB 4.4Å; L177-E278 HydrophobicContact CD1-CG 4.2Å; L177-E278 HydrophobicContact CD2-CG 4.41Å; L177-I281 HydrophobicContact CD1-CD1 4.02Å; L177-I281 HydrophobicContact CD1-CG2 4.08Å; L177-L282 HydrophobicContact CB-CD2 4.01Å
178	H	92.1	Very high	87.2	Confident	20 Å²	20	46.8 Å²	46.8	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-42.5	174.9	-76.2	87.9	0	0	0	111.9	S174 N175 L180 L181 D182 T284	S174-H178 PolarHBondContact O-N 2.93Å; S174-H178 PolarHBondContact O-ND1 3.31Å; S174-H178 PolarHBondContact OG-CE1 3Å; S174-H178 PolarHBondContact OG-ND1 2.85Å; N175-H178 PolarHBondContact O-N 3.41Å; H178-L180 VanDerWaalsContact C-N 3.35Å; H178-L180 PolarHBondContact O-N 3.47Å; H178-L181 WeakPolarHBondContact O-CB 3.46Å; H178-L181 PolarHBondContact O-N 3.32Å; H178-D182 VanDerWaalsContact O-CG 3.29Å; H178-D182 PolarHBondContact O-N 2.97Å; H178-T284 PolarHBondContact NE2-OG1 3.45Å
179	R	90.4	Very high	86.5	Confident	74 Å²	74	44.3 Å²	44.3	28%	0.279	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-36	177.3	-71.4	174.3	62	-157.3	-11.3	112.7	D148 I151 N175 T176 L183	D148-R179 IonicContact OD1-CZ 3.55Å; D148-R179 IonicContact OD1-NH1 3.7Å; D148-R179 PolarHBondContact OD1-NH1 3.5Å; D148-R179 IonicContact OD1-NH2 3.36Å; D148-R179 PolarHBondContact OD1-NH2 2.96Å; I151-R179 HydrophobicContact CD1-CB 4.01Å; N175-R179 WeakPolarHBondContact O-CG 3.39Å; N175-R179 PolarHBondContact O-N 3.34Å; T176-R179 PolarHBondContact O-N 3.3Å; R179-L183 PolarHBondContact O-N 3.12Å
180	L	91.4	Very high	85.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-45.3	171.9	179.9	61.2	0	0	0	110.6	M147 Y163 T176 L177 H178 D182 L183 L184 L274	M147-L180 HydrophobicContact CE-CD2 4.22Å; M147-L180 HydrophobicContact SD-CD1 4.09Å; Y163-L180 HydrophobicContact CD2-CD2 4.18Å; Y163-L180 HydrophobicContact CG-CD2 4Å; T176-L180 WeakPolarHBondContact O-CB 3.3Å; T176-L180 PolarHBondContact O-N 2.8Å; L177-L180 PolarHBondContact O-N 2.92Å; H178-L180 VanDerWaalsContact C-N 3.35Å; H178-L180 PolarHBondContact O-N 3.47Å; L180-D182 VanDerWaalsContact C-N 3.33Å; L180-D182 PolarHBondContact O-N 3Å; L180-L183 PolarHBondContact O-N 3.28Å; L180-L184 HydrophobicContact CD1-CD1 4.26Å; L180-L184 HydrophobicContact CD1-CG 4.23Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.45Å; L180-L274 HydrophobicContact CB-CD2 4.29Å; L180-L274 HydrophobicContact CD2-CD1 4.45Å; L180-L274 HydrophobicContact CD2-CD2 3.91Å; L180-L274 HydrophobicContact CG-CD2 3.87Å
181	L	92	Very high	84.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-46	175.6	-175.2	69.3	0	0	0	111.1	L177 H178 L183 L184 C185 A271 L274 F275 L282 M291	L177-L181 WeakPolarHBondContact O-CB 2.67Å; L177-L181 PolarHBondContact O-N 3.16Å; H178-L181 WeakPolarHBondContact O-CB 3.46Å; H178-L181 PolarHBondContact O-N 3.32Å; L181-L183 PolarHBondContact O-N 2.94Å; L181-L184 PolarHBondContact O-N 3.43Å; L181-C185 VanDerWaalsContact O-CB 3.28Å; L181-C185 WeakPolarHBondContact O-CB 3.42Å; L181-C185 PolarHBondContact O-N 3.27Å; L181-C185 PolarHBondContact O-SG 3.09Å; L181-A271 HydrophobicContact CD1-CB 4.47Å; L181-L274 HydrophobicContact CB-CD2 4.15Å; L181-L274 HydrophobicContact CD1-CD2 4.29Å; L181-F275 HydrophobicContact CD1-CB 4.34Å; L181-F275 HydrophobicContact CD2-CD2 4.1Å; L181-L282 HydrophobicContact CD2-CD1 4.38Å; L181-L282 HydrophobicContact CD2-CD2 4.31Å; L181-M291 HydrophobicContact CD1-CG 4.46Å; L181-M291 HydrophobicContact CD1-SD 3.83Å; L181-M291 HydrophobicContact CD2-CG 4.36Å
182	D	88.4	Confident	82.8	Confident	66 Å²	66	31 Å²	31	35%	0.353	16%	0.159	S	C	.	.	H	α-helix	trans	-56.7	-48.4	175.7	-72.3	-5.3	0	0	0	111.4	H178 L180 L184 C185 V186 S290	H178-D182 VanDerWaalsContact O-CG 3.29Å; H178-D182 PolarHBondContact O-N 2.97Å; L180-D182 VanDerWaalsContact C-N 3.33Å; L180-D182 PolarHBondContact O-N 3Å; D182-L184 PolarHBondContact O-N 3.19Å; D182-C185 PolarHBondContact O-N 3.07Å; D182-V186 WeakPolarHBondContact O-CB 3.32Å; D182-V186 WeakPolarHBondContact O-CG2 3.3Å; D182-V186 PolarHBondContact O-N 3.01Å; D182-S290 WeakPolarHBondContact OD1-CB 3.3Å; D182-S290 PolarHBondContact OD1-OG 3.44Å
183	L	85.6	Confident	80.7	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-47.6	178	177	65.3	0	0	0	111.5	I151 L154 P156 R179 L180 L181 V186 T187	I151-L183 HydrophobicContact CG1-CD2 4.08Å; L154-L183 HydrophobicContact CB-CD1 4.23Å; L154-L183 HydrophobicContact CD2-CD1 3.74Å; P156-L183 HydrophobicContact CB-CG 4.31Å; R179-L183 PolarHBondContact O-N 3.12Å; L180-L183 PolarHBondContact O-N 3.28Å; L181-L183 PolarHBondContact O-N 2.94Å; L183-V186 PolarHBondContact O-N 3.5Å; L183-T187 HydrophobicContact CD1-CG2 4.04Å; L183-T187 WeakPolarHBondContact O-CB 3.42Å; L183-T187 WeakPolarHBondContact O-CG2 3.19Å; L183-T187 PolarHBondContact O-N 3.45Å; L183-T187 PolarHBondContact O-OG1 3.1Å
184	L	88.1	Confident	78.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-41.8	-179.6	-63.7	175.1	0	0	0	111.3	P156 W160 L180 L181 D182 V186 T187 N188 G189 P270 A271 L274	P156-L184 HydrophobicContact CB-CD2 4.16Å; W160-L184 HydrophobicContact CB-CD2 4.37Å; W160-L184 HydrophobicContact CE3-CD1 3.83Å; W160-L184 HydrophobicContact CZ3-CD1 4.17Å; L180-L184 HydrophobicContact CD1-CD1 4.26Å; L180-L184 HydrophobicContact CD1-CG 4.23Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 HydrophobicContact CG-CG 4.44Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.23Å; L180-L184 PolarHBondContact O-N 3.45Å; L181-L184 PolarHBondContact O-N 3.43Å; D182-L184 PolarHBondContact O-N 3.19Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.79Å; L184-T187 PolarHBondContact O-N 2.92Å; L184-N188 CarbonylContact O-C 3.14Å; L184-N188 VanDerWaalsContact O-CA 3.29Å; L184-N188 WeakPolarHBondContact O-CA 3.34Å; L184-N188 PolarHBondContact O-N 2.8Å; L184-G189 PolarHBondContact O-N 3.12Å; L184-P270 HydrophobicContact CD1-CB 4.06Å; L184-P270 HydrophobicContact CD2-CB 4.06Å; L184-A271 HydrophobicContact CB-CB 3.96Å; L184-L274 HydrophobicContact CD1-CD2 3.94Å
185	C	86.7	Confident	76	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-32.7	177.9	-67.3	0	0	0	0	112.7	L181 D182 W265 S290 G294 F298	L181-C185 VanDerWaalsContact O-CB 3.28Å; L181-C185 WeakPolarHBondContact O-CB 3.42Å; L181-C185 PolarHBondContact O-N 3.27Å; L181-C185 PolarHBondContact O-SG 3.09Å; D182-C185 PolarHBondContact O-N 3.07Å; C185-W265 HydrophobicContact CB-CH2 4.09Å; C185-W265 HydrophobicContact CB-CZ3 4.49Å; C185-S290 WeakPolarHBondContact CB-O 3.39Å; C185-G294 VanDerWaalsContact O-CA 3.28Å; C185-G294 WeakPolarHBondContact O-CA 3.5Å; C185-F298 WeakPolarHBondContact O-CE2 3.24Å
186	V	80.2	Confident	73.7	Confident	38 Å²	38	31.1 Å²	31.1	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-78.8	-28.2	179.6	164.7	0	0	0	0	111.9	T8 D182 L183 L184 H197 F298	T8-V186 HydrophobicContact CG2-CG1 4.37Å; D182-V186 WeakPolarHBondContact O-CB 3.32Å; D182-V186 WeakPolarHBondContact O-CG2 3.3Å; D182-V186 PolarHBondContact O-N 3.01Å; L183-V186 PolarHBondContact O-N 3.5Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.79Å; V186-H197 WeakPolarHBondContact CG1-CE1 3.46Å; V186-H197 WeakPolarHBondContact CG1-NE2 3.2Å; V186-H197 PolarHBondContact O-NE2 3.48Å; V186-F298 WeakPolarHBondContact O-CE2 3.17Å; V186-F298 VanDerWaalsContact O-CZ 3.29Å; V186-F298 WeakPolarHBondContact O-CZ 3.3Å
187	T	74.2	Confident	71.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-109.2	0.6	-175.3	61.5	0	0	0	0	114.5	P156 L183 L184 G189 G190 R191 G192 L200	P156-T187 VanDerWaalsContact CB-OG1 3.27Å; P156-T187 WeakPolarHBondContact CB-OG1 3.09Å; P156-T187 HydrophobicContact CG-CG2 4.26Å; L183-T187 HydrophobicContact CD1-CG2 4.04Å; L183-T187 WeakPolarHBondContact O-CB 3.42Å; L183-T187 WeakPolarHBondContact O-CG2 3.19Å; L183-T187 PolarHBondContact O-N 3.45Å; L183-T187 PolarHBondContact O-OG1 3.1Å; L184-T187 PolarHBondContact O-N 2.92Å; T187-G189 PolarHBondContact O-N 3.05Å; T187-G190 PolarHBondContact O-N 3.47Å; T187-G190 VanDerWaalsContact O-N 3.08Å; T187-R191 PolarHBondContact O-N 3.45Å; T187-G192 WeakPolarHBondContact O-CA 3.43Å; T187-G192 PolarHBondContact O-N 3.49Å; T187-L200 HydrophobicContact CG2-CD1 3.6Å
188	N	77.7	Confident	68.5	Low	2 Å²	2	35.2 Å²	35.2	1%	0.011	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	50.5	42.2	-167.8	-160.4	12.6	0	0	0	112.1	L184 G190 R191 N263 N264 T269 F298	L184-N188 CarbonylContact O-C 3.14Å; L184-N188 VanDerWaalsContact O-CA 3.29Å; L184-N188 WeakPolarHBondContact O-CA 3.34Å; L184-N188 PolarHBondContact O-N 2.8Å; N188-G190 VanDerWaalsContact C-N 3.26Å; N188-G190 PolarHBondContact O-N 3Å; N188-R191 WeakPolarHBondContact O-CB 3.48Å; N188-R191 PolarHBondContact O-N 3.32Å; N188-N263 PolarHBondContact ND2-O 2.81Å; N188-N264 PolarHBondContact ND2-O 3.48Å; N188-T269 WeakPolarHBondContact OD1-CG2 3.39Å; N188-F298 HydrophobicContact CB-CD1 3.77Å; N188-F298 HydrophobicContact CB-CD2 3.72Å; N188-F298 HydrophobicContact CB-CE1 3.7Å; N188-F298 HydrophobicContact CB-CE2 3.66Å; N188-F298 HydrophobicContact CB-CG 3.78Å; N188-F298 HydrophobicContact CB-CZ 3.64Å; N188-F298 VanDerWaalsContact N-CE2 3.31Å
189	G	71.5	Confident	65.8	Low	8 Å²	8	35.5 Å²	35.5	8%	0.082	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	63.3	25.3	-177	0	0	0	0	0	115.3	L184 T187	L184-G189 PolarHBondContact O-N 3.12Å; T187-G189 PolarHBondContact O-N 3.05Å
190	G	66.7	Low	63.2	Low	4 Å²	4	32.7 Å²	32.7	4%	0.041	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	86.9	9.9	-173.6	0	0	0	0	0	113.8	P156 T187 N188 N201	P156-G190 VanDerWaalsContact CG-CA 3.48Å; T187-G190 PolarHBondContact O-N 3.47Å; T187-G190 VanDerWaalsContact O-N 3.08Å; N188-G190 VanDerWaalsContact C-N 3.26Å; N188-G190 PolarHBondContact O-N 3Å; G190-N201 VanDerWaalsContact C-CG 3.45Å; G190-N201 VanDerWaalsContact C-OD1 3.27Å; G190-N201 WeakPolarHBondContact O-CB 3.12Å; G190-N201 PolarHBondContact O-ND2 2.97Å; G190-N201 PolarHBondContact O-OD1 2.9Å
191	R	64.1	Low	60.4	Low	158 Å²	158	34.3 Å²	34.3	60%	0.596	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	5.9	173.9	-61.3	-175.6	178	-174.8	-1.5	113.4	T187 N188 G193 N201 N263	T187-R191 PolarHBondContact O-N 3.45Å; N188-R191 WeakPolarHBondContact O-CB 3.48Å; N188-R191 PolarHBondContact O-N 3.32Å; R191-G193 PolarHBondContact O-N 3.29Å; R191-N201 WeakPolarHBondContact CA-ND2 3.35Å; R191-N263 PolarHBondContact O-OD1 3.28Å
192	G	49	Very low	57.7	Low	3 Å²	3	41.9 Å²	41.9	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	-71.7	14.5	-172.1	0	0	0	0	0	117.1	T187 S196 N201	T187-G192 WeakPolarHBondContact O-CA 3.43Å; T187-G192 PolarHBondContact O-N 3.49Å; G192-S196 WeakPolarHBondContact CA-OG 3.39Å; G192-S196 WeakPolarHBondContact O-CB 3.3Å; G192-S196 PolarHBondContact O-N 3.22Å; G192-S196 PolarHBondContact O-OG 3.39Å; G192-N201 PolarHBondContact N-ND2 2.84Å; G192-N201 VanDerWaalsContact N-ND2 3.2Å
193	G	45.6	Very low	55.3	Low	8 Å²	8	43.8 Å²	43.8	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	41.6	-168.1	-171.3	0	0	0	0	0	117.6	R191 H195 S196 N201 N263	R191-G193 PolarHBondContact O-N 3.29Å; G193-H195 PolarHBondContact O-N 3.37Å; G193-H195 VanDerWaalsContact O-N 3.08Å; G193-S196 PolarHBondContact O-N 3.19Å; G193-S196 PolarHBondContact O-OG 2.95Å; G193-N201 WeakPolarHBondContact CA-ND2 3.29Å; G193-N201 PolarHBondContact N-ND2 3.08Å; G193-N263 VanDerWaalsContact CA-ND2 3.32Å; G193-N263 WeakPolarHBondContact CA-ND2 3.4Å; G193-N263 PolarHBondContact N-ND2 3.16Å; G193-N263 PolarHBondContact N-OD1 2.89Å
194	F	39.6	Very low	53.1	Low	116 Å²	116	45.1 Å²	45.1	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-21.9	-174.6	-88.8	-89.8	0	0	0	115.3	D221	F194-D221 WeakPolarHBondContact CE1-OD2 3.33Å; F194-D221 WeakPolarHBondContact CZ-OD1 3.5Å
195	H	40.1	Very low	50.8	Low	123 Å²	123	47.4 Å²	47.4	57%	0.569	23%	0.23	S	C	*	.	H	α-helix	trans	-100.3	-18.9	-171.6	-64	-55.5	0	0	0	114.4	G193 H197	G193-H195 PolarHBondContact O-N 3.37Å; G193-H195 VanDerWaalsContact O-N 3.08Å; H195-H197 VanDerWaalsContact C-N 3.33Å
196	S	41.4	Very low	48.4	Very low	9 Å²	9	48 Å²	48	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-70.6	-37.3	177.8	65.8	0	0	0	0	111	G192 G193 R297 F298	G192-S196 WeakPolarHBondContact CA-OG 3.39Å; G192-S196 WeakPolarHBondContact O-CB 3.3Å; G192-S196 PolarHBondContact O-N 3.22Å; G192-S196 PolarHBondContact O-OG 3.39Å; G193-S196 PolarHBondContact O-N 3.19Å; G193-S196 PolarHBondContact O-OG 2.95Å; S196-R297 PolarHBondContact O-NH2 3.26Å; S196-F298 VanDerWaalsContact CB-CE1 3.47Å; S196-F298 VanDerWaalsContact CB-CZ 3.43Å
197	H	37.6	Very low	46.5	Very low	33 Å²	33	47.4 Å²	47.4	15%	0.153	23%	0.229	C	C	.	.	S	Bend	trans	-151.3	128	170.9	-48.8	-84.3	0	0	0	105.7	V186 H195 L199 L200	V186-H197 WeakPolarHBondContact CG1-CE1 3.46Å; V186-H197 WeakPolarHBondContact CG1-NE2 3.2Å; V186-H197 PolarHBondContact O-NE2 3.48Å; H195-H197 VanDerWaalsContact C-N 3.33Å; H197-L199 PolarHBondContact O-N 3.45Å; H197-L200 HydrophobicContact CB-CB 4.02Å; H197-L200 HydrophobicContact CB-CD1 3.38Å; H197-L200 HydrophobicContact CB-CG 3.89Å; H197-L200 WeakPolarHBondContact CD2-CD1 3.36Å
198	V	36.2	Very low	45	Very low	67 Å²	67	49.8 Å²	49.8	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	108.8	159.8	174.9	0	0	0	0	107	I214	V198-I214 HydrophobicContact CG1-CB 4.35Å; V198-I214 HydrophobicContact CG1-CD1 3.97Å; V198-I214 HydrophobicContact CG1-CG1 3.92Å; V198-I214 HydrophobicContact CG1-CG2 3.64Å; V198-I214 HydrophobicContact CG2-CG2 4.31Å
199	L	35.6	Very low	43.2	Very low	25 Å²	25	50.5 Å²	50.5	13%	0.131	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	23.7	168.3	-54	151.4	0	0	0	120.5	H197 Y203 L208 P209 I214	H197-L199 PolarHBondContact O-N 3.45Å; L199-Y203 HydrophobicContact CD2-CD1 4.5Å; L199-Y203 HydrophobicContact CD2-CD2 4.42Å; L199-Y203 HydrophobicContact CD2-CG 4.31Å; L199-Y203 VanDerWaalsContact O-CB 3.28Å; L199-Y203 WeakPolarHBondContact O-CB 3.39Å; L199-L208 HydrophobicContact CD1-CD2 3.21Å; L199-L208 HydrophobicContact CD1-CG 3.66Å; L199-P209 HydrophobicContact CD1-CG 4.12Å; L199-P209 HydrophobicContact CD2-CG 4.28Å; L199-I214 HydrophobicContact CD1-CG1 4.44Å
200	L	35.8	Very low	41.9	Very low	15 Å²	15	53.4 Å²	53.4	8%	0.079	26%	0.26	C	S	.	.			trans	-94.6	-34.1	-167.1	-106.5	175.6	0	0	0	121.1	L154 T187 H197 N202 W205	L154-L200 WeakPolarHBondContact O-CD2 3.18Å; T187-L200 HydrophobicContact CG2-CD1 3.6Å; H197-L200 HydrophobicContact CB-CB 4.02Å; H197-L200 HydrophobicContact CB-CD1 3.38Å; H197-L200 HydrophobicContact CB-CG 3.89Å; H197-L200 WeakPolarHBondContact CD2-CD1 3.36Å; L200-N202 PolarHBondContact O-N 3.2Å; L200-W205 HydrophobicContact CD1-CH2 4.13Å; L200-W205 HydrophobicContact CD1-CZ2 3.42Å; L200-W205 VanDerWaalsContact CD1-CZ2 3.42Å; L200-W205 HydrophobicContact CD2-CZ2 3.26Å; L200-W205 HydrophobicContact CG-CH2 4.07Å; L200-W205 HydrophobicContact CG-CZ2 3.17Å
201	N	32.9	Very low	40.6	Very low	36 Å²	36	56.4 Å²	56.4	19%	0.193	28%	0.279	C	S	.	.	S	Bend	trans	-89.1	-4.8	-162.9	-66.8	-0.4	0	0	0	115	G190 R191 G192 G193	G190-N201 VanDerWaalsContact C-CG 3.45Å; G190-N201 VanDerWaalsContact C-OD1 3.27Å; G190-N201 WeakPolarHBondContact O-CB 3.12Å; G190-N201 PolarHBondContact O-ND2 2.97Å; G190-N201 PolarHBondContact O-OD1 2.9Å; R191-N201 WeakPolarHBondContact CA-ND2 3.35Å; G192-N201 PolarHBondContact N-ND2 2.84Å; G192-N201 VanDerWaalsContact N-ND2 3.2Å; G193-N201 WeakPolarHBondContact CA-ND2 3.29Å; G193-N201 PolarHBondContact N-ND2 3.08Å
202	N	35.5	Very low	39.6	Very low	159 Å²	159	53.7 Å²	53.7	85%	0.85	28%	0.276	S	S	*	.	S	Bend	trans	-148.7	6.3	178.3	-80.3	-40.7	0	0	0	114	L200	L200-N202 PolarHBondContact O-N 3.2Å
203	Y	37.6	Very low	39.3	Very low	107 Å²	107	53.9 Å²	53.9	42%	0.42	28%	0.277	S	S	.	.			trans	-115.4	123.3	-172.6	-85.8	-92.2	0	0	0	111.6	L199 W205	L199-Y203 HydrophobicContact CD2-CD1 4.5Å; L199-Y203 HydrophobicContact CD2-CD2 4.42Å; L199-Y203 HydrophobicContact CD2-CG 4.31Å; L199-Y203 VanDerWaalsContact O-CB 3.28Å; L199-Y203 WeakPolarHBondContact O-CB 3.39Å; Y203-W205 PolarHBondContact O-N 3.3Å
204	N	40.1	Very low	39	Very low	34 Å²	34	56 Å²	56	18%	0.182	29%	0.286	C	S	.	.			trans	-61.3	117.5	167.8	-166.1	-27.1	0	0	0	108.8	R103 T128 P129 S206 N207	R103-N204 VanDerWaalsContact NH1-CG 3.31Å; R103-N204 PolarHBondContact NH1-ND2 3.3Å; T128-N204 WeakPolarHBondContact CB-ND2 3.22Å; T128-N204 WeakPolarHBondContact CG2-ND2 3.29Å; P129-N204 WeakPolarHBondContact CD-OD1 3.21Å; N204-S206 PolarHBondContact O-N 2.93Å; N204-S206 PolarHBondContact OD1-OG 3.29Å; N204-N207 WeakPolarHBondContact O-CA 3.35Å; N204-N207 WeakPolarHBondContact O-CB 3.34Å; N204-N207 PolarHBondContact O-N 2.9Å
205	W	39.9	Very low	38.9	Very low	49 Å²	49	54.2 Å²	54.2	19%	0.186	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57.5	-16.8	-174.5	-74.4	78	0	0	0	115.2	L153 L154 L200 Y203 N207 L208	L153-W205 PolarHBondContact O-NE1 3.15Å; L154-W205 HydrophobicContact CB-CD2 4.37Å; L154-W205 HydrophobicContact CB-CH2 3.89Å; L154-W205 HydrophobicContact CB-CZ2 3.25Å; L154-W205 HydrophobicContact CD1-CE3 4.44Å; L154-W205 HydrophobicContact CD1-CH2 3.22Å; L154-W205 HydrophobicContact CD1-CZ2 3.57Å; L154-W205 HydrophobicContact CD1-CZ3 3.7Å; L154-W205 HydrophobicContact CG-CH2 4.16Å; L154-W205 HydrophobicContact CG-CZ2 4.03Å; L154-W205 PolarHBondContact O-NE1 2.8Å; L200-W205 HydrophobicContact CD1-CH2 4.13Å; L200-W205 HydrophobicContact CD1-CZ2 3.42Å; L200-W205 VanDerWaalsContact CD1-CZ2 3.42Å; L200-W205 HydrophobicContact CD2-CZ2 3.26Å; L200-W205 HydrophobicContact CG-CH2 4.07Å; L200-W205 HydrophobicContact CG-CZ2 3.17Å; Y203-W205 PolarHBondContact O-N 3.3Å; W205-N207 PolarHBondContact O-N 3.04Å; W205-L208 HydrophobicContact CB-CD1 4.33Å; W205-L208 HydrophobicContact CD2-CD1 4.02Å; W205-L208 HydrophobicContact CE3-CD1 3.2Å; W205-L208 HydrophobicContact CZ3-CD1 3.75Å; W205-L208 WeakPolarHBondContact O-CD1 3.32Å; W205-L208 PolarHBondContact O-N 3.34Å
206	S	36.2	Very low	39	Very low	15 Å²	15	49 Å²	49	11%	0.105	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-68.1	-12.9	169.4	65	0	0	0	0	114.1	R103 N204	R103-S206 PolarHBondContact NH1-OG 3.28Å; N204-S206 PolarHBondContact O-N 2.93Å; N204-S206 PolarHBondContact OD1-OG 3.29Å
207	N	39.7	Very low	38.9	Very low	24 Å²	24	49.3 Å²	49.3	13%	0.128	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-99.5	2.8	-176.7	-73.8	3.4	0	0	0	112.9	L96 V100 R103 N204 W205 P209	L96-N207 HydrophobicContact CD1-CB 3.25Å; V100-N207 VanDerWaalsContact CG2-OD1 3.29Å; V100-N207 WeakPolarHBondContact CG2-OD1 3.46Å; R103-N207 PolarHBondContact NH1-OD1 3.12Å; N204-N207 WeakPolarHBondContact O-CA 3.35Å; N204-N207 WeakPolarHBondContact O-CB 3.34Å; N204-N207 PolarHBondContact O-N 2.9Å; W205-N207 PolarHBondContact O-N 3.04Å; N207-P209 WeakPolarHBondContact O-CD 3.12Å; N207-P209 VanDerWaalsContact O-N 3.16Å
208	L	42	Very low	39.1	Very low	51 Å²	51	52.3 Å²	52.3	27%	0.267	27%	0.267	S	S	.	.			trans	-54.5	115.1	-175.7	-115.1	145.2	0	0	0	111.4	R99 L199 W205 I214	R99-L208 PolarHBondContact NH1-O 3.35Å; L199-L208 HydrophobicContact CD1-CD2 3.21Å; L199-L208 HydrophobicContact CD1-CG 3.66Å; W205-L208 HydrophobicContact CB-CD1 4.33Å; W205-L208 HydrophobicContact CD2-CD1 4.02Å; W205-L208 HydrophobicContact CE3-CD1 3.2Å; W205-L208 HydrophobicContact CZ3-CD1 3.75Å; W205-L208 WeakPolarHBondContact O-CD1 3.32Å; W205-L208 PolarHBondContact O-N 3.34Å; L208-I214 HydrophobicContact CD2-CD1 4.17Å
209	P	39.2	Very low	39.2	Very low	16 Å²	16	50.5 Å²	50.5	10%	0.104	25%	0.253	C	S	.	.			trans	-47.4	146.2	166.7	3.3	-14.7	0	0	0	111.4	L199 N207 E213 T217	L199-P209 HydrophobicContact CD1-CG 4.12Å; L199-P209 HydrophobicContact CD2-CG 4.28Å; N207-P209 WeakPolarHBondContact O-CD 3.12Å; N207-P209 VanDerWaalsContact O-N 3.16Å; P209-E213 WeakPolarHBondContact CA-OE2 3.32Å; P209-E213 HydrophobicContact CB-CB 3.24Å; P209-E213 HydrophobicContact CB-CG 4.21Å; P209-E213 WeakPolarHBondContact CB-OE2 3.42Å; P209-T217 HydrophobicContact CB-CG2 4.24Å; P209-T217 HydrophobicContact CG-CG2 3.49Å; P209-T217 VanDerWaalsContact CG-CG2 3.49Å
210	D	45	Very low	39.2	Very low	70 Å²	70	51.7 Å²	51.7	37%	0.374	26%	0.258	S	S	.	.			trans	-49.3	153.3	171.7	-101.7	-45	0	0	0	110.1	R99 D212 E213 I214	R99-D210 IonicContact NH2-OD1 3.43Å; R99-D210 IonicContact NH2-OD2 2.65Å; R99-D210 PolarHBondContact NH2-OD2 3.4Å; D210-D212 PolarHBondContact O-N 3.49Å; D210-E213 HydrophobicContact CB-CG 4.28Å; D210-E213 PolarHBondContact N-OE2 3.02Å; D210-E213 CarbonylContact O-C 3.57Å; D210-E213 VanDerWaalsContact O-CA 3.31Å; D210-E213 WeakPolarHBondContact O-CA 3.35Å; D210-E213 VanDerWaalsContact O-CB 3.29Å; D210-E213 WeakPolarHBondContact O-CB 3.39Å; D210-E213 PolarHBondContact O-N 3.08Å; D210-I214 PolarHBondContact O-N 3.43Å; D210-I214 VanDerWaalsContact O-N 3.08Å
211	P	40.2	Very low	39.3	Very low	67 Å²	67	54.2 Å²	54.2	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-54.2	-26.4	176.7	18.1	-29.2	0	0	0	113.2	E213 I214	P211-E213 VanDerWaalsContact C-N 3.33Å; P211-I214 PolarHBondContact O-N 2.97Å
212	D	43.1	Very low	39.3	Very low	100 Å²	100	56.4 Å²	56.4	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-72.2	-23.5	171.8	-62.2	-36.2	0	0	0	113.6	D210 Y215	D210-D212 PolarHBondContact O-N 3.49Å; D212-Y215 WeakPolarHBondContact O-CB 3.17Å
213	E	41.5	Very low	39	Very low	8 Å²	8	53.3 Å²	53.3	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-86.7	-24.3	174.7	-67.2	175.4	161.5	0	0	112.1	R95 P209 D210 P211 Y215 I216 T217	R95-E213 WeakPolarHBondContact CD-OE1 3.38Å; R95-E213 IonicContact CZ-OE1 2.78Å; R95-E213 IonicContact NE-OE1 3.42Å; R95-E213 IonicContact NH1-OE1 3.97Å; R95-E213 PolarHBondContact NH1-OE1 3.26Å; P209-E213 WeakPolarHBondContact CA-OE2 3.32Å; P209-E213 HydrophobicContact CB-CB 3.24Å; P209-E213 HydrophobicContact CB-CG 4.21Å; P209-E213 WeakPolarHBondContact CB-OE2 3.42Å; D210-E213 HydrophobicContact CB-CG 4.28Å; D210-E213 PolarHBondContact N-OE2 3.02Å; D210-E213 CarbonylContact O-C 3.57Å; D210-E213 VanDerWaalsContact O-CA 3.31Å; D210-E213 WeakPolarHBondContact O-CA 3.35Å; D210-E213 VanDerWaalsContact O-CB 3.29Å; D210-E213 WeakPolarHBondContact O-CB 3.39Å; D210-E213 PolarHBondContact O-N 3.08Å; P211-E213 VanDerWaalsContact C-N 3.33Å; E213-Y215 PolarHBondContact O-N 3.34Å; E213-I216 CarbonylContact O-C 3.48Å; E213-I216 VanDerWaalsContact O-CA 3.29Å; E213-I216 WeakPolarHBondContact O-CA 3.46Å; E213-I216 VanDerWaalsContact O-CB 3.3Å; E213-I216 WeakPolarHBondContact O-CB 3.48Å; E213-I216 PolarHBondContact O-N 3.28Å; E213-T217 WeakPolarHBondContact O-CG2 3.43Å; E213-T217 PolarHBondContact O-N 3.14Å
214	I	39.5	Very low	38.6	Very low	53 Å²	53	52.8 Å²	52.8	27%	0.272	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-35.2	169	-67.9	174.5	0	0	0	111.4	V198 L199 L208 D210 P211 I216 T217	V198-I214 HydrophobicContact CG1-CB 4.35Å; V198-I214 HydrophobicContact CG1-CD1 3.97Å; V198-I214 HydrophobicContact CG1-CG1 3.92Å; V198-I214 HydrophobicContact CG1-CG2 3.64Å; V198-I214 HydrophobicContact CG2-CG2 4.31Å; L199-I214 HydrophobicContact CD1-CG1 4.44Å; L208-I214 HydrophobicContact CD2-CD1 4.17Å; D210-I214 PolarHBondContact O-N 3.43Å; D210-I214 VanDerWaalsContact O-N 3.08Å; P211-I214 PolarHBondContact O-N 2.97Å; I214-I216 PolarHBondContact O-N 3.48Å; I214-T217 WeakPolarHBondContact CA-OG1 3.44Å; I214-T217 PolarHBondContact O-N 2.95Å; I214-T217 PolarHBondContact O-OG1 3.27Å
215	Y	38.3	Very low	38	Very low	77 Å²	77	57.3 Å²	57.3	30%	0.302	31%	0.306	S	S	.	.	H	α-helix	trans	-55.9	-25.1	169.9	-178.7	-95.9	0	0	0	112.5	D212 E213 P543	D212-Y215 WeakPolarHBondContact O-CB 3.17Å; E213-Y215 PolarHBondContact O-N 3.34Å; Y215-P543 WeakPolarHBondContact CD2-O 3.5Å; Y215-P543 WeakPolarHBondContact CE2-O 3.45Å
216	I	40.9	Very low	37.4	Very low	15 Å²	15	59.1 Å²	59.1	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-102	-13.2	-178.9	-46.5	179.7	0	0	0	110.5	M88 E213 I214 H218 R219	M88-I216 HydrophobicContact CB-CD1 4.21Å; M88-I216 HydrophobicContact CB-CG2 4.12Å; M88-I216 HydrophobicContact CE-CD1 3.17Å; M88-I216 HydrophobicContact CG-CD1 4.35Å; E213-I216 CarbonylContact O-C 3.48Å; E213-I216 VanDerWaalsContact O-CA 3.29Å; E213-I216 WeakPolarHBondContact O-CA 3.46Å; E213-I216 VanDerWaalsContact O-CB 3.3Å; E213-I216 WeakPolarHBondContact O-CB 3.48Å; E213-I216 PolarHBondContact O-N 3.28Å; I214-I216 PolarHBondContact O-N 3.48Å; I216-H218 VanDerWaalsContact C-N 3.32Å; I216-H218 PolarHBondContact O-N 2.76Å; I216-R219 HydrophobicContact CG2-CB 4.39Å; I216-R219 WeakPolarHBondContact O-CA 3.36Å; I216-R219 WeakPolarHBondContact O-CB 3.49Å; I216-R219 PolarHBondContact O-N 3.48Å
217	T	40.1	Very low	37	Very low	15 Å²	15	66 Å²	66	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-67.6	-29.1	-170.7	50.2	0	0	0	0	114.2	P209 E213 I214 R219 F220	P209-T217 HydrophobicContact CB-CG2 4.24Å; P209-T217 HydrophobicContact CG-CG2 3.49Å; P209-T217 VanDerWaalsContact CG-CG2 3.49Å; E213-T217 WeakPolarHBondContact O-CG2 3.43Å; E213-T217 PolarHBondContact O-N 3.14Å; I214-T217 WeakPolarHBondContact CA-OG1 3.44Å; I214-T217 PolarHBondContact O-N 2.95Å; I214-T217 PolarHBondContact O-OG1 3.27Å; T217-R219 PolarHBondContact O-N 3Å; T217-F220 HydrophobicContact CG2-CD2 3.73Å; T217-F220 HydrophobicContact CG2-CE2 3.5Å; T217-F220 WeakPolarHBondContact O-CB 3.47Å; T217-F220 VanDerWaalsContact O-CD2 3.23Å; T217-F220 WeakPolarHBondContact O-CD2 3.49Å; T217-F220 PolarHBondContact O-N 3.32Å
218	H	41.6	Very low	36.5	Very low	95 Å²	95	71.8 Å²	71.8	44%	0.44	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.8	169.6	-90.1	-64.4	0	0	0	113.9	I216	I216-H218 VanDerWaalsContact C-N 3.32Å; I216-H218 PolarHBondContact O-N 2.76Å
219	R	38	Very low	35.8	Very low	30 Å²	30	76.5 Å²	76.5	11%	0.113	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	168.9	-68.2	174.2	141.3	-179.5	0.1	113.5	R85 I216 T217 I545	R85-R219 HydrophobicContact CG-CB 4.09Å; R85-R219 HydrophobicContact CG-CG 4.29Å; R85-R219 VanDerWaalsContact CZ-O 3.27Å; R85-R219 PolarHBondContact NE-O 3.27Å; R85-R219 PolarHBondContact NH2-O 2.96Å; I216-R219 HydrophobicContact CG2-CB 4.39Å; I216-R219 WeakPolarHBondContact O-CA 3.36Å; I216-R219 WeakPolarHBondContact O-CB 3.49Å; I216-R219 PolarHBondContact O-N 3.48Å; T217-R219 PolarHBondContact O-N 3Å; R219-I545 HydrophobicContact CG-CG2 3.89Å
220	F	36.3	Very low	35.3	Very low	50 Å²	50	85 Å²	85	22%	0.219	45%	0.449	C	S	.	.	S	Bend	trans	-75.6	-29.8	176.7	-70.4	-69.6	0	0	0	112.6	L89 A92 T217	L89-F220 HydrophobicContact CD2-CD1 3.18Å; L89-F220 HydrophobicContact CD2-CE1 3.17Å; L89-F220 HydrophobicContact CD2-CG 3.92Å; L89-F220 HydrophobicContact CD2-CZ 3.88Å; L89-F220 HydrophobicContact CG-CE1 4.43Å; A92-F220 HydrophobicContact CB-CE1 4.38Å; A92-F220 HydrophobicContact CB-CZ 3.71Å; T217-F220 HydrophobicContact CG2-CD2 3.73Å; T217-F220 HydrophobicContact CG2-CE2 3.5Å; T217-F220 WeakPolarHBondContact O-CB 3.47Å; T217-F220 VanDerWaalsContact O-CD2 3.23Å; T217-F220 WeakPolarHBondContact O-CD2 3.49Å; T217-F220 PolarHBondContact O-N 3.32Å
221	D	37.7	Very low	34.4	Very low	67 Å²	67	90 Å²	90	36%	0.358	47%	0.469	S	S	.	.	S	Bend	trans	-96.8	-12.2	-166.8	-58.2	-41.4	0	0	0	115.9	F194 T223	F194-D221 WeakPolarHBondContact CE1-OD2 3.33Å; F194-D221 WeakPolarHBondContact CZ-OD1 3.5Å; D221-T223 PolarHBondContact O-N 2.89Å
222	I	33.9	Very low	33.8	Very low	83 Å²	83	93.1 Å²	93.1	43%	0.426	48%	0.481	S	S	.	.	S	Bend	trans	-87.4	38	178.2	-42.3	174.9	0	0	0	110.8	R85	R85-I222 PolarHBondContact NH1-O 3.47Å; R85-I222 VanDerWaalsContact NH2-C 3.27Å; R85-I222 PolarHBondContact NH2-O 2.69Å; R85-I222 VanDerWaalsContact NH2-O 3.14Å
223	T	28.7	Very low	33	Very low	93 Å²	93	96.2 Å²	96.2	57%	0.571	50%	0.496	S	S	*	.	S	Bend	trans	-144.9	45.9	172.9	45.1	0	0	0	0	110.9	D221	D221-T223 PolarHBondContact O-N 2.89Å
224	T	29.1	Very low	32.2	Very low	96 Å²	96	101 Å²	101	59%	0.589	53%	0.526	S	S	*	.			trans	-154	13.6	164.8	38.4	0	0	0	0	114.3	S226	T224-S226 PolarHBondContact O-N 3.43Å
225	T	27.2	Very low	31.6	Very low	129 Å²	129	105.7 Å²	105.7	79%	0.791	55%	0.552	S	S	*	*			trans	-83.6	20.9	169.3	47.5	0	0	0	0	113.6
226	S	27	Very low	30.9	Very low	88 Å²	88	112.7 Å²	112.7	62%	0.615	58%	0.578	S	S	*	*	S	Bend	trans	-90.9	116.6	154.8	60.7	0	0	0	0	108.2	T224 H228	T224-S226 PolarHBondContact O-N 3.43Å; S226-H228 PolarHBondContact O-N 3.28Å
227	N	27.6	Very low	30.2	Very low	160 Å²	160	118 Å²	118	86%	0.856	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	47.5	-175.9	-75.2	-32.9	0	0	0	117.7
228	H	28.7	Very low	29.6	Very low	145 Å²	145	125.8 Å²	125.8	67%	0.671	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-10.5	-173.4	-78.2	-48.1	0	0	0	118.9	S226	S226-H228 PolarHBondContact O-N 3.28Å
229	D	28.1	Very low	29.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	66%	0.662	S	S	*	*	S	Bend	trans	-104.8	13.3	-177.4	-72.4	-17.7	0	0	0	115.4	Q231	D229-Q231 VanDerWaalsContact C-N 3.32Å
230	K	29	Very low	28.6	Very low	194 Å²	194	135.9 Å²	135.9	84%	0.843	70%	0.695	S	S	*	*			trans	-92.1	22.4	165.6	-78.4	-172.7	-180	177.2	0	113.4	I232	K230-I232 PolarHBondContact O-N 3.32Å
231	Q	25.9	Very low	28.1	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.813	72%	0.724	S	S	*	*			trans	-75.9	77	163.5	-79.5	-171.4	-5.1	0	0	109.6	D229 I233	D229-Q231 VanDerWaalsContact C-N 3.32Å; Q231-I233 PolarHBondContact O-N 3.13Å
232	I	27.2	Very low	27.8	Very low	134 Å²	134	144.7 Å²	144.7	69%	0.687	75%	0.749	S	S	*	*			trans	-47.1	124.5	149.8	-68.5	170.1	0	0	0	107.2	K230 T234	K230-I232 PolarHBondContact O-N 3.32Å; I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 PolarHBondContact O-N 3.26Å
233	I	26.6	Very low	27.6	Very low	164 Å²	164	147 Å²	147	84%	0.841	77%	0.768	S	S	*	*	S	Bend	trans	-42.6	92.3	160.1	-61.5	157.2	0	0	0	108.7	Q231	Q231-I233 PolarHBondContact O-N 3.13Å
234	T	25.6	Very low	27.4	Very low	109 Å²	109	150.3 Å²	150.3	67%	0.669	78%	0.782	S	S	*	*			trans	-173.8	109.4	156.6	36.8	0	0	0	0	110.4	I232	I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 PolarHBondContact O-N 3.26Å
235	N	25.1	Very low	27.4	Very low	152 Å²	152	153.1 Å²	153.1	81%	0.813	79%	0.793	S	S	*	*			trans	48.9	109.1	145.5	-65.6	-18.5	0	0	0	120.8
236	R	24.5	Very low	27.4	Very low	223 Å²	223	153.6 Å²	153.6	84%	0.842	79%	0.787	S	S	*	*				48.7	119.4	119.8	-103.3	-178.6	173.3	157	-2	118.9
237	N	26.3	Very low	27.5	Very low	128 Å²	128	156.4 Å²	156.4	68%	0.684	79%	0.793	S	S	*	*			trans	82.3	135.7	142.9	-60.7	-8.3	0	0	0	117.4
238	E	28	Very low	27.5	Very low	177 Å²	177	154.8 Å²	154.8	83%	0.827	79%	0.785	S	S	*	*			trans	81.5	96.2	163.8	-59.1	165.2	-155.2	0	0	115.6
239	L	31.3	Very low	27.5	Very low	166 Å²	166	155.1 Å²	155.1	87%	0.869	79%	0.791	S	S	*	*				171.8	113.7	84.7	-150.1	76.7	0	0	0	108.6
240	E	25.8	Very low	27.5	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	77%	0.768	S	S	*	*			trans	-70.6	158.3	163.2	-67.8	172.8	153.5	0	0	109.7
241	N	26.5	Very low	27.6	Very low	156 Å²	156	149.1 Å²	149.1	83%	0.834	76%	0.76	S	S	*	*			trans	99.3	84.1	169.7	-51	-33.3	0	0	0	116.8
242	T	32.2	Very low	27.7	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	75%	0.754	S	S	*	*			trans	-148.2	134.5	136.2	22.8	0	0	0	0	110.1
243	T	28.9	Very low	27.7	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	75%	0.75	S	S	*	*			trans	-73.8	150	-163.7	39	0	0	0	0	114.9	D245	T243-D245 PolarHBondContact O-N 2.89Å
244	N	25	Very low	27.6	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	73%	0.733	S	S	*	*			trans	-40	120.4	168.2	-60.5	-36.2	0	0	0	114.5
245	D	29.1	Very low	27.7	Very low	155 Å²	155	137.2 Å²	137.2	83%	0.829	72%	0.724	S	S	*	*			trans	-127.4	124	152.9	-89.6	-32.6	0	0	0	109	T243 I247	T243-D245 PolarHBondContact O-N 2.89Å; D245-I247 PolarHBondContact O-N 3.39Å
246	E	27.5	Very low	27.8	Very low	139 Å²	139	136.2 Å²	136.2	65%	0.65	72%	0.717	S	S	*	*			trans	-62.4	101.3	-179.5	-69.7	-176.9	128	0	0	110.6	N248 K729	E246-N248 VanDerWaalsContact C-N 3.34Å; E246-N248 PolarHBondContact O-N 3.03Å; E246-K729 IonicContact OE1-NZ 2.89Å; E246-K729 PolarHBondContact OE1-NZ 2.94Å
247	I	29	Very low	27.7	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	70%	0.7	S	S	*	*			trans	-75.5	90.6	167.8	-58.8	173.6	0	0	0	107.8	D245 D249	D245-I247 PolarHBondContact O-N 3.39Å; I247-D249 PolarHBondContact O-N 2.79Å; I247-D249 VanDerWaalsContact O-N 3.09Å
248	N	27	Very low	27.8	Very low	127 Å²	127	127.8 Å²	127.8	68%	0.679	69%	0.693	S	S	*	*			trans	-66.4	98.9	158.4	-81.2	-34.8	0	0	0	107.7	E246 E250	E246-N248 VanDerWaalsContact C-N 3.34Å; E246-N248 PolarHBondContact O-N 3.03Å; N248-E250 PolarHBondContact O-N 3.29Å
249	D	28.8	Very low	27.7	Very low	152 Å²	152	125.5 Å²	125.5	81%	0.813	69%	0.691	S	S	*	*			trans	-68.1	62	168.1	-105.9	-8.5	0	0	0	109.9	I247 F251	I247-D249 PolarHBondContact O-N 2.79Å; I247-D249 VanDerWaalsContact O-N 3.09Å; D249-F251 PolarHBondContact O-N 3.31Å
250	E	29.2	Very low	27.8	Very low	68 Å²	68	125.5 Å²	125.5	32%	0.318	69%	0.687	S	S	.	*			trans	-74.1	120.7	158.5	-78.2	-160.9	164.8	0	0	107.6	N248 T252 N593	N248-E250 PolarHBondContact O-N 3.29Å; E250-T252 PolarHBondContact O-N 2.82Å; E250-T252 PolarHBondContact O-OG1 3.49Å; E250-N593 PolarHBondContact OE2-ND2 3.33Å
251	F	30.4	Very low	28.2	Very low	150 Å²	150	123.7 Å²	123.7	66%	0.658	68%	0.678	S	S	*	*			trans	-58.2	78	165.8	-98.6	-97.1	0	0	0	108.9	D249 G253	D249-F251 PolarHBondContact O-N 3.31Å; F251-G253 PolarHBondContact O-N 3.49Å; F251-G253 VanDerWaalsContact O-N 3.17Å
252	T	28.7	Very low	29.1	Very low	115 Å²	115	121 Å²	121	71%	0.706	67%	0.671	S	S	*	*			trans	-69.5	106.4	162.7	38.4	0	0	0	0	105.4	E250 D254	E250-T252 PolarHBondContact O-N 2.82Å; E250-T252 PolarHBondContact O-OG1 3.49Å; T252-D254 PolarHBondContact O-N 2.86Å
253	G	26.9	Very low	30.3	Very low	58 Å²	58	116.3 Å²	116.3	60%	0.598	64%	0.641	S	S	*	*			trans	-67.3	17.2	-175.2	0	0	0	0	0	114.9	F251	F251-G253 PolarHBondContact O-N 3.49Å; F251-G253 VanDerWaalsContact O-N 3.17Å
254	D	25	Very low	32.3	Very low	91 Å²	91	114.8 Å²	114.8	49%	0.487	63%	0.628	S	S	.	*			trans	-116.2	73.6	-171.3	-74.4	-43.8	0	0	0	110.7	T252	T252-D254 PolarHBondContact O-N 2.86Å
255	S	26	Very low	34.9	Very low	67 Å²	67	107.3 Å²	107.3	47%	0.469	59%	0.588	S	S	.	*			trans	166.7	121.8	134.2	48.7	0	0	0	0	106.2	S257	S255-S257 VanDerWaalsContact CB-N 3.28Å; S255-S257 PolarHBondContact O-N 2.91Å; S255-S257 PolarHBondContact OG-OG 3.47Å; S255-S257 VanDerWaalsContact OG-OG 3.09Å
256	I	27.6	Very low	37.3	Very low	131 Å²	131	104.1 Å²	104.1	67%	0.672	57%	0.571	S	S	*	*			trans	-67.4	70.7	138.7	-58.9	168.3	0	0	0	103.7	L258	I256-L258 PolarHBondContact O-N 3.16Å
257	S	22.7	Very low	39.9	Very low	69 Å²	69	102.3 Å²	102.3	48%	0.483	57%	0.565	S	S	.	*			trans	-66.8	97.8	155.3	41.4	0	0	0	0	101.4	S255 V259	S255-S257 VanDerWaalsContact CB-N 3.28Å; S255-S257 PolarHBondContact O-N 2.91Å; S255-S257 PolarHBondContact OG-OG 3.47Å; S255-S257 VanDerWaalsContact OG-OG 3.09Å; S257-V259 PolarHBondContact O-N 2.95Å
258	L	28.7	Very low	42.4	Very low	104 Å²	104	100 Å²	100	55%	0.545	55%	0.554	S	S	.	*			trans	-45	99.8	146.8	-73.7	155.4	0	0	0	103.3	I256 E260	I256-L258 PolarHBondContact O-N 3.16Å; L258-E260 PolarHBondContact O-N 3.42Å
259	V	25.6	Very low	45.1	Very low	129 Å²	129	94.1 Å²	94.1	78%	0.782	52%	0.523	S	S	*	.			trans	-62.1	95.8	165.6	173.4	0	0	0	0	102.6	S257 E261	S257-V259 PolarHBondContact O-N 2.95Å; V259-E261 PolarHBondContact O-N 3.42Å
260	E	32.9	Very low	47.8	Very low	166 Å²	166	87.7 Å²	87.7	78%	0.776	49%	0.489	S	S	*	.			trans	-64	77.6	177.5	-73.1	176.4	162.2	0	0	107.4	L258 S262	L258-E260 PolarHBondContact O-N 3.42Å; E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 PolarHBondContact O-N 3.01Å
261	E	34	Very low	50.7	Low	133 Å²	133	84.5 Å²	84.5	62%	0.621	47%	0.474	S	S	*	.			trans	-62.5	112.3	139.8	-73.7	-171.7	166.5	0	0	104.4	V259 N263	V259-E261 PolarHBondContact O-N 3.42Å; E261-N263 VanDerWaalsContact O-CG 3.27Å; E261-N263 PolarHBondContact O-N 3.03Å; E261-N263 PolarHBondContact O-ND2 3.38Å
262	S	46.9	Very low	53.6	Low	99 Å²	99	77.3 Å²	77.3	69%	0.692	44%	0.443	S	S	*	.			trans	-58.6	81	-169	57.3	0	0	0	0	111.6	E260 N264	E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 PolarHBondContact O-N 3.01Å; S262-N264 PolarHBondContact O-N 2.84Å; S262-N264 VanDerWaalsContact O-N 3.12Å
263	N	57.5	Low	56.5	Low	48 Å²	48	76.3 Å²	76.3	26%	0.257	43%	0.429	S	S	.	.			trans	-82.2	27.9	174.3	-61.6	-42.8	0	0	0	111.1	N188 R191 G193 E261	N188-N263 PolarHBondContact ND2-O 2.81Å; R191-N263 PolarHBondContact O-OD1 3.28Å; G193-N263 VanDerWaalsContact CA-ND2 3.32Å; G193-N263 WeakPolarHBondContact CA-ND2 3.4Å; G193-N263 PolarHBondContact N-ND2 3.16Å; G193-N263 PolarHBondContact N-OD1 2.89Å; E261-N263 VanDerWaalsContact O-CG 3.27Å; E261-N263 PolarHBondContact O-N 3.03Å; E261-N263 PolarHBondContact O-ND2 3.38Å
264	N	70.4	Confident	59.5	Low	101 Å²	101	73.5 Å²	73.5	54%	0.54	40%	0.4	S	S	.	.			trans	-69.8	142	-178.2	-68.3	-7.9	0	0	0	109.1	N188 S262 D266 F298	N188-N264 PolarHBondContact ND2-O 3.48Å; S262-N264 PolarHBondContact O-N 2.84Å; S262-N264 VanDerWaalsContact O-N 3.12Å; N264-D266 PolarHBondContact O-N 2.96Å; N264-F298 CarbonylContact C-O 3.49Å; N264-F298 WeakPolarHBondContact CA-O 3.48Å
265	W	79.3	Confident	62.7	Low	5 Å²	5	69.4 Å²	69.4	2%	0.019	38%	0.378	C	S	.	.			trans	-68.1	123.4	172.8	-172.9	-83.3	0	0	0	109.9	C185 A271 E272 M291 A295 F298 N300	C185-W265 HydrophobicContact CB-CH2 4.09Å; C185-W265 HydrophobicContact CB-CZ3 4.49Å; W265-A271 HydrophobicContact CH2-CB 3.45Å; W265-A271 VanDerWaalsContact CH2-CB 3.45Å; W265-A271 HydrophobicContact CZ2-CB 3.72Å; W265-A271 HydrophobicContact CZ3-CB 4.44Å; W265-E272 HydrophobicContact CZ2-CG 4.25Å; W265-E272 PolarHBondContact NE1-OE1 2.98Å; W265-M291 HydrophobicContact CZ2-CE 3.98Å; W265-M291 HydrophobicContact CZ2-SD 4.19Å; W265-A295 HydrophobicContact CD2-CB 4.35Å; W265-A295 HydrophobicContact CG-CB 4.26Å; W265-F298 HydrophobicContact CB-CB 3.82Å; W265-F298 HydrophobicContact CE3-CB 3.98Å; W265-F298 AromaticContact CE3-CD2 3.76Å; W265-F298 HydrophobicContact CE3-CD2 3.76Å; W265-F298 HydrophobicContact CE3-CG 4.23Å; W265-F298 AromaticContact CZ3-CD2 3.98Å; W265-F298 HydrophobicContact CZ3-CD2 3.98Å; W265-F298 PolarHBondContact N-O 3.41Å; W265-N300 HydrophobicContact CB-CB 3.67Å; W265-N300 HydrophobicContact CG-CB 4.33Å; W265-N300 PolarHBondContact O-ND2 3.01Å
266	D	80.3	Confident	65.8	Low	88 Å²	88	71.5 Å²	71.5	47%	0.471	38%	0.38	S	S	.	.			trans	-114.7	153.3	178.6	-165.4	2.1	0	0	0	110.3	N264 D268 T269	N264-D266 PolarHBondContact O-N 2.96Å; D266-D268 PolarHBondContact O-N 3.31Å; D266-T269 HydrophobicContact CB-CG2 4.28Å; D266-T269 WeakPolarHBondContact O-CB 3.16Å; D266-T269 WeakPolarHBondContact O-CG2 3Å; D266-T269 PolarHBondContact O-N 3.47Å; D266-T269 VanDerWaalsContact O-N 3.14Å; D266-T269 PolarHBondContact O-OG1 2.69Å
267	L	81.3	Confident	68.7	Low	100 Å²	100	71.1 Å²	71.1	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18	175.4	-65	175.9	0	0	0	111.9	T269 E272	L267-T269 VanDerWaalsContact C-N 3.33Å; L267-E272 VanDerWaalsContact O-CB 3.28Å; L267-E272 WeakPolarHBondContact O-CB 3.46Å
268	D	82.2	Confident	71.8	Confident	100 Å²	100	69.9 Å²	69.9	54%	0.535	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	3.8	177.3	-102.4	-42.8	0	0	0	115	D266 K273	D266-D268 PolarHBondContact O-N 3.31Å; D268-K273 WeakPolarHBondContact O-CE 3.3Å; D268-K273 PolarHBondContact O-NZ 3.13Å; D268-K273 VanDerWaalsContact OD1-CE 3.28Å; D268-K273 WeakPolarHBondContact OD1-CE 3.1Å; D268-K273 IonicContact OD1-NZ 3.35Å; D268-K273 PolarHBondContact OD1-NZ 3.12Å
269	T	83.2	Confident	74.6	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.018	35%	0.351	C	S	.	.	S	Bend	trans	-66.1	153.7	-179.3	55.9	0	0	0	0	112.6	N188 D266 L267 A271 E272 K273	N188-T269 WeakPolarHBondContact OD1-CG2 3.39Å; D266-T269 HydrophobicContact CB-CG2 4.28Å; D266-T269 WeakPolarHBondContact O-CB 3.16Å; D266-T269 WeakPolarHBondContact O-CG2 3Å; D266-T269 PolarHBondContact O-N 3.47Å; D266-T269 VanDerWaalsContact O-N 3.14Å; D266-T269 PolarHBondContact O-OG1 2.69Å; L267-T269 VanDerWaalsContact C-N 3.33Å; T269-A271 PolarHBondContact O-N 3.29Å; T269-E272 PolarHBondContact O-N 3.36Å; T269-E272 WeakPolarHBondContact OG1-CG 3.36Å; T269-K273 PolarHBondContact O-N 3.11Å
270	P	85.9	Confident	77.5	Confident	17 Å²	17	70.7 Å²	70.7	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-54.4	-33.9	173.8	-29.7	38	0	0	0	113.8	W160 L184 L274	W160-P270 HydrophobicContact CD2-CB 3.75Å; W160-P270 HydrophobicContact CE3-CB 4.07Å; W160-P270 HydrophobicContact CG-CB 4.1Å; W160-P270 HydrophobicContact CG-CG 4.49Å; W160-P270 HydrophobicContact CH2-CB 4.43Å; W160-P270 WeakPolarHBondContact CH2-O 3.3Å; W160-P270 HydrophobicContact CZ2-CB 4.14Å; W160-P270 HydrophobicContact CZ3-CB 4.41Å; L184-P270 HydrophobicContact CD1-CB 4.06Å; L184-P270 HydrophobicContact CD2-CB 4.06Å; P270-L274 WeakPolarHBondContact O-CB 3.47Å; P270-L274 PolarHBondContact O-N 3.31Å
271	A	89.4	Confident	80.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-49.8	179	0	0	0	0	0	111.9	L181 L184 W265 T269 K273 L274 F275 M291	L181-A271 HydrophobicContact CD1-CB 4.47Å; L184-A271 HydrophobicContact CB-CB 3.96Å; W265-A271 HydrophobicContact CH2-CB 3.45Å; W265-A271 VanDerWaalsContact CH2-CB 3.45Å; W265-A271 HydrophobicContact CZ2-CB 3.72Å; W265-A271 HydrophobicContact CZ3-CB 4.44Å; T269-A271 PolarHBondContact O-N 3.29Å; A271-K273 VanDerWaalsContact C-N 3.34Å; A271-K273 PolarHBondContact O-N 3.49Å; A271-L274 PolarHBondContact O-N 2.94Å; A271-F275 WeakPolarHBondContact O-CB 3.49Å; A271-F275 PolarHBondContact O-N 3.46Å; A271-M291 HydrophobicContact CB-SD 4.32Å
272	E	90.4	Very high	82.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-43	176	-67.1	-82.6	-176.3	0	0	110.7	W265 L267 T269 L274 F275 H276 M291 R303	W265-E272 HydrophobicContact CZ2-CG 4.25Å; W265-E272 PolarHBondContact NE1-OE1 2.98Å; L267-E272 VanDerWaalsContact O-CB 3.28Å; L267-E272 WeakPolarHBondContact O-CB 3.46Å; T269-E272 PolarHBondContact O-N 3.36Å; T269-E272 WeakPolarHBondContact OG1-CG 3.36Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 3.12Å; E272-F275 PolarHBondContact O-N 2.76Å; E272-H276 WeakPolarHBondContact O-CB 3.29Å; E272-H276 PolarHBondContact O-CD2 2.83Å; E272-H276 PolarHBondContact O-N 3.4Å; E272-H276 IonicContact OE2-NE2 3.59Å; E272-M291 HydrophobicContact CG-CE 3.92Å; E272-M291 WeakPolarHBondContact OE1-CE 3.48Å; E272-M291 VanDerWaalsContact OE2-CE 3.27Å; E272-M291 WeakPolarHBondContact OE2-CE 3.4Å; E272-R303 IonicContact OE1-CZ 3.99Å; E272-R303 IonicContact OE1-NE 3.78Å; E272-R303 PolarHBondContact OE1-NE 3.45Å; E272-R303 IonicContact OE1-NH2 3.78Å; E272-R303 IonicContact OE2-CZ 3.89Å; E272-R303 IonicContact OE2-NE 2.68Å; E272-R303 IonicContact OE2-NH2 3.2Å; E272-R303 PolarHBondContact OE2-NH2 2.89Å
273	K	90.3	Very high	84.5	Confident	93 Å²	93	57.4 Å²	57.4	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-42	176.2	-75.4	171.7	174.1	148.2	0	112.7	W160 D268 T269 A271 K277	W160-K273 HydrophobicContact CH2-CB 4Å; W160-K273 HydrophobicContact CZ2-CB 4.18Å; D268-K273 WeakPolarHBondContact O-CE 3.3Å; D268-K273 PolarHBondContact O-NZ 3.13Å; D268-K273 VanDerWaalsContact OD1-CE 3.28Å; D268-K273 WeakPolarHBondContact OD1-CE 3.1Å; D268-K273 IonicContact OD1-NZ 3.35Å; D268-K273 PolarHBondContact OD1-NZ 3.12Å; T269-K273 PolarHBondContact O-N 3.11Å; A271-K273 VanDerWaalsContact C-N 3.34Å; A271-K273 PolarHBondContact O-N 3.49Å; K273-K277 VanDerWaalsContact O-CB 3.24Å; K273-K277 WeakPolarHBondContact O-CB 3.25Å; K273-K277 PolarHBondContact O-N 3.45Å
274	L	91	Very high	85.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-47.9	176.2	-175.5	62.6	0	0	0	111.2	W160 Y163 L177 L180 L181 L184 P270 A271 E272 H276 K277 E278 L282	W160-L274 HydrophobicContact CH2-CB 4.38Å; W160-L274 HydrophobicContact CZ3-CB 3.94Å; W160-L274 HydrophobicContact CZ3-CD1 4.3Å; Y163-L274 HydrophobicContact CD1-CD1 4.17Å; Y163-L274 HydrophobicContact CE1-CD1 3.57Å; Y163-L274 HydrophobicContact CE2-CD1 3.96Å; Y163-L274 VanDerWaalsContact CZ-CD1 3.46Å; L177-L274 HydrophobicContact CD2-CD1 4.24Å; L180-L274 HydrophobicContact CB-CD2 4.29Å; L180-L274 HydrophobicContact CD2-CD1 4.45Å; L180-L274 HydrophobicContact CD2-CD2 3.91Å; L180-L274 HydrophobicContact CG-CD2 3.87Å; L181-L274 HydrophobicContact CB-CD2 4.15Å; L181-L274 HydrophobicContact CD1-CD2 4.29Å; L184-L274 HydrophobicContact CD1-CD2 3.94Å; P270-L274 WeakPolarHBondContact O-CB 3.47Å; P270-L274 PolarHBondContact O-N 3.31Å; A271-L274 PolarHBondContact O-N 2.94Å; E272-L274 VanDerWaalsContact C-N 3.35Å; E272-L274 PolarHBondContact O-N 3.12Å; L274-H276 PolarHBondContact O-N 3.38Å; L274-K277 PolarHBondContact O-N 2.89Å; L274-E278 HydrophobicContact CD1-CG 4.22Å; L274-E278 PolarHBondContact O-N 3.4Å; L274-L282 HydrophobicContact CG-CD1 4.04Å
275	F	91.2	Very high	86.7	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-40.7	-178.1	-170	-102.2	0	0	0	112.2	L181 A271 E272 Y279 L282 Y288 M291	L181-F275 HydrophobicContact CD1-CB 4.34Å; L181-F275 HydrophobicContact CD2-CD2 4.1Å; A271-F275 WeakPolarHBondContact O-CB 3.49Å; A271-F275 PolarHBondContact O-N 3.46Å; E272-F275 PolarHBondContact O-N 2.76Å; F275-Y279 HydrophobicContact CD1-CD2 4.39Å; F275-Y279 AromaticContact CE1-CD2 3.94Å; F275-Y279 HydrophobicContact CE1-CD2 3.94Å; F275-Y279 AromaticContact CE1-CE2 3.94Å; F275-Y279 HydrophobicContact CE1-CE2 3.94Å; F275-Y279 HydrophobicContact CZ-CD2 4.33Å; F275-Y279 HydrophobicContact CZ-CE2 4.25Å; F275-Y279 WeakPolarHBondContact O-CA 3.44Å; F275-Y279 WeakPolarHBondContact O-CB 3.47Å; F275-Y279 PolarHBondContact O-N 3.03Å; F275-Y279 VanDerWaalsContact O-N 3.14Å; F275-L282 HydrophobicContact CD2-CB 3.9Å; F275-L282 HydrophobicContact CD2-CD1 4.44Å; F275-L282 HydrophobicContact CE2-CB 4.07Å; F275-L282 WeakPolarHBondContact CE2-O 3.47Å; F275-Y288 HydrophobicContact CZ-CD1 4.34Å; F275-Y288 HydrophobicContact CZ-CE1 4.1Å; F275-M291 HydrophobicContact CB-CE 4.2Å; F275-M291 HydrophobicContact CB-CG 4.39Å; F275-M291 HydrophobicContact CB-SD 3.99Å; F275-M291 HydrophobicContact CD1-CE 4.45Å; F275-M291 HydrophobicContact CD1-CG 4.41Å; F275-M291 HydrophobicContact CD2-CG 3.73Å; F275-M291 HydrophobicContact CD2-SD 4.4Å; F275-M291 HydrophobicContact CE2-CG 4.07Å; F275-M291 HydrophobicContact CG-CE 4.33Å; F275-M291 HydrophobicContact CG-CG 3.92Å; F275-M291 HydrophobicContact CG-SD 4.17Å
276	H	90.6	Very high	87.1	Confident	112 Å²	112	56 Å²	56	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-40.3	176	-75.6	-60.4	0	0	0	113.1	E272 L274	E272-H276 WeakPolarHBondContact O-CB 3.29Å; E272-H276 PolarHBondContact O-CD2 2.83Å; E272-H276 PolarHBondContact O-N 3.4Å; E272-H276 IonicContact OE2-NE2 3.59Å; L274-H276 PolarHBondContact O-N 3.38Å
277	K	88.7	Confident	87.5	Confident	122 Å²	122	51.8 Å²	51.8	53%	0.53	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-45	-179.9	-177.5	179.7	168.1	-160.2	0	112.1	Y163 K273 L274	Y163-K277 WeakPolarHBondContact OH-CD 3.24Å; Y163-K277 WeakPolarHBondContact OH-CE 3.36Å; Y163-K277 PolarHBondContact OH-NZ 3.05Å; K273-K277 VanDerWaalsContact O-CB 3.24Å; K273-K277 WeakPolarHBondContact O-CB 3.25Å; K273-K277 PolarHBondContact O-N 3.45Å; L274-K277 PolarHBondContact O-N 2.89Å
278	E	88.3	Confident	88	Confident	43 Å²	43	48 Å²	48	20%	0.201	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	29.5	-177.1	-58	-64.9	168.9	0	0	112.1	Y163 L177 L274 N280 I281 L282	Y163-E278 WeakPolarHBondContact OH-CG 3.21Å; Y163-E278 PolarHBondContact OH-OE1 3.38Å; L177-E278 HydrophobicContact CD1-CB 4.4Å; L177-E278 HydrophobicContact CD1-CG 4.2Å; L177-E278 HydrophobicContact CD2-CG 4.41Å; L274-E278 HydrophobicContact CD1-CG 4.22Å; L274-E278 PolarHBondContact O-N 3.4Å; E278-N280 PolarHBondContact O-N 3.32Å; E278-N280 VanDerWaalsContact O-N 3.12Å; E278-I281 PolarHBondContact O-N 3.05Å; E278-L282 HydrophobicContact CB-CD1 3.92Å; E278-L282 HydrophobicContact CB-CG 4.19Å; E278-L282 PolarHBondContact O-N 2.73Å
279	Y	87.8	Confident	88.4	Confident	92 Å²	92	46.3 Å²	46.3	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-52.7	-40.8	-172.4	-176.2	-102.3	0	0	0	112.8	F275 I281 L282 N283 Y288	F275-Y279 HydrophobicContact CD1-CD2 4.39Å; F275-Y279 AromaticContact CE1-CD2 3.94Å; F275-Y279 HydrophobicContact CE1-CD2 3.94Å; F275-Y279 AromaticContact CE1-CE2 3.94Å; F275-Y279 HydrophobicContact CE1-CE2 3.94Å; F275-Y279 HydrophobicContact CZ-CD2 4.33Å; F275-Y279 HydrophobicContact CZ-CE2 4.25Å; F275-Y279 WeakPolarHBondContact O-CA 3.44Å; F275-Y279 WeakPolarHBondContact O-CB 3.47Å; F275-Y279 PolarHBondContact O-N 3.03Å; F275-Y279 VanDerWaalsContact O-N 3.14Å; Y279-I281 PolarHBondContact O-N 2.93Å; Y279-L282 PolarHBondContact O-N 3.42Å; Y279-N283 HydrophobicContact CD1-CB 4.5Å; Y279-N283 HydrophobicContact CE1-CB 4.25Å; Y279-N283 HydrophobicContact CE2-CB 4.35Å; Y279-N283 WeakPolarHBondContact O-CB 2.96Å; Y279-N283 PolarHBondContact O-N 3Å; Y279-Y288 PolarHBondContact OH-OH 2.89Å
280	N	86.1	Confident	88.8	Confident	158 Å²	158	46.8 Å²	46.8	85%	0.845	23%	0.233	S	C	*	.	H	α-helix	trans	-61.6	-26.6	179.5	-65.6	-24.6	0	0	0	113.7	E278	E278-N280 PolarHBondContact O-N 3.32Å; E278-N280 VanDerWaalsContact O-N 3.12Å
281	I	87.5	Confident	89.1	Confident	64 Å²	64	46 Å²	46	33%	0.328	23%	0.228	S	C	.	.	H	α-helix	trans	-96.8	-34.6	-178.7	-56.2	175.2	0	0	0	111.1	L177 E278 Y279 T284	L177-I281 HydrophobicContact CD1-CD1 4.02Å; L177-I281 HydrophobicContact CD1-CG2 4.08Å; E278-I281 PolarHBondContact O-N 3.05Å; Y279-I281 PolarHBondContact O-N 2.93Å; I281-T284 WeakPolarHBondContact O-CG2 3.43Å
282	L	87.9	Confident	89.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-94	-8	-174.9	-66.9	176.3	0	0	0	113.9	L177 L181 L274 F275 E278 Y279 T284	L177-L282 HydrophobicContact CB-CD2 4.01Å; L181-L282 HydrophobicContact CD2-CD1 4.38Å; L181-L282 HydrophobicContact CD2-CD2 4.31Å; L274-L282 HydrophobicContact CG-CD1 4.04Å; F275-L282 HydrophobicContact CD2-CB 3.9Å; F275-L282 HydrophobicContact CD2-CD1 4.44Å; F275-L282 HydrophobicContact CE2-CB 4.07Å; F275-L282 WeakPolarHBondContact CE2-O 3.47Å; E278-L282 HydrophobicContact CB-CD1 3.92Å; E278-L282 HydrophobicContact CB-CG 4.19Å; E278-L282 PolarHBondContact O-N 2.73Å; Y279-L282 PolarHBondContact O-N 3.42Å; L282-T284 PolarHBondContact O-N 3.35Å
283	N	86.1	Confident	89.1	Confident	55 Å²	55	48.8 Å²	48.8	29%	0.294	24%	0.238	S	C	.	.			trans	-70.1	69.6	170.1	-176.6	4.8	0	0	0	110.6	Y279 Y288	Y279-N283 HydrophobicContact CD1-CB 4.5Å; Y279-N283 HydrophobicContact CE1-CB 4.25Å; Y279-N283 HydrophobicContact CE2-CB 4.35Å; Y279-N283 WeakPolarHBondContact O-CB 2.96Å; Y279-N283 PolarHBondContact O-N 3Å; N283-Y288 WeakPolarHBondContact OD1-CE2 3.38Å
284	T	86.9	Confident	88.9	Confident	37 Å²	37	44.4 Å²	44.4	23%	0.227	22%	0.22	C	C	.	.	S	Bend	trans	-136	164.6	-179.2	78.8	0	0	0	0	108.9	H178 I281 L282 A286 G287 Y288	H178-T284 PolarHBondContact NE2-OG1 3.45Å; I281-T284 WeakPolarHBondContact O-CG2 3.43Å; L282-T284 PolarHBondContact O-N 3.35Å; T284-A286 PolarHBondContact O-N 3.49Å; T284-A286 PolarHBondContact OG1-N 3.16Å; T284-G287 PolarHBondContact O-N 3.14Å; T284-G287 PolarHBondContact OG1-N 2.94Å; T284-Y288 WeakPolarHBondContact O-CD2 3.37Å; T284-Y288 PolarHBondContact O-N 3.35Å; T284-Y288 VanDerWaalsContact O-N 3.15Å
285	P	86.2	Confident	88.8	Confident	43 Å²	43	44.4 Å²	44.4	28%	0.279	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-40.2	174.4	-20.4	27.7	0	0	0	112.5	R289 Y320	P285-R289 WeakPolarHBondContact O-CB 3.32Å; P285-R289 VanDerWaalsContact O-CD 3.27Å; P285-R289 WeakPolarHBondContact O-CD 3.33Å; P285-R289 WeakPolarHBondContact O-CG 3.2Å; P285-R289 PolarHBondContact O-N 3.15Å; P285-Y320 HydrophobicContact CB-CD1 3.95Å; P285-Y320 HydrophobicContact CB-CD2 4.34Å; P285-Y320 HydrophobicContact CB-CE1 4.13Å; P285-Y320 HydrophobicContact CB-CG 4.09Å; P285-Y320 HydrophobicContact CG-CD1 3.93Å; P285-Y320 HydrophobicContact CG-CD2 3.79Å; P285-Y320 HydrophobicContact CG-CE1 3.7Å; P285-Y320 HydrophobicContact CG-CE2 3.56Å; P285-Y320 HydrophobicContact CG-CG 4Å
286	A	87.5	Confident	88.6	Confident	45 Å²	45	44.7 Å²	44.7	37%	0.372	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-44.1	-179.7	0	0	0	0	0	111.4	T284 R289 S290	T284-A286 PolarHBondContact O-N 3.49Å; T284-A286 PolarHBondContact OG1-N 3.16Å; A286-R289 PolarHBondContact O-N 3.41Å; A286-S290 PolarHBondContact O-N 2.97Å; A286-S290 PolarHBondContact O-OG 2.96Å; A286-S290 VanDerWaalsContact O-OG 3.11Å
287	G	89.9	Confident	88.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-48.3	177.5	0	0	0	0	0	113.1	T284 S290 M291	T284-G287 PolarHBondContact O-N 3.14Å; T284-G287 PolarHBondContact OG1-N 2.94Å; G287-S290 PolarHBondContact O-N 2.62Å; G287-M291 WeakPolarHBondContact O-CG 3.43Å; G287-M291 PolarHBondContact O-N 3.36Å
288	Y	90.6	Very high	87.8	Confident	20 Å²	20	38.4 Å²	38.4	8%	0.078	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-42.9	176.8	-79.2	-72.4	0	0	0	112.9	F275 Y279 N283 T284 S290 M291 I292 L307 V311 Y320	F275-Y288 HydrophobicContact CZ-CD1 4.34Å; F275-Y288 HydrophobicContact CZ-CE1 4.1Å; Y279-Y288 PolarHBondContact OH-OH 2.89Å; N283-Y288 WeakPolarHBondContact OD1-CE2 3.38Å; T284-Y288 WeakPolarHBondContact O-CD2 3.37Å; T284-Y288 PolarHBondContact O-N 3.35Å; T284-Y288 VanDerWaalsContact O-N 3.15Å; Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 2.97Å; Y288-M291 PolarHBondContact O-N 3.48Å; Y288-I292 WeakPolarHBondContact O-CB 3.22Å; Y288-I292 WeakPolarHBondContact O-CD1 3.49Å; Y288-I292 WeakPolarHBondContact O-CG1 3.08Å; Y288-I292 PolarHBondContact O-N 2.93Å; Y288-L307 HydrophobicContact CE1-CD2 4.36Å; Y288-V311 HydrophobicContact CD1-CG2 3.69Å; Y288-V311 HydrophobicContact CD2-CG2 4.08Å; Y288-V311 HydrophobicContact CE1-CG2 4.17Å; Y288-V311 HydrophobicContact CE2-CG2 4.49Å; Y288-V311 HydrophobicContact CG-CG2 3.65Å; Y288-Y320 HydrophobicContact CD2-CD1 4.48Å; Y288-Y320 HydrophobicContact CD2-CE1 4.32Å
289	R	91.8	Very high	87.3	Confident	65 Å²	65	37.7 Å²	37.7	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-44.7	176.7	-72.8	164.4	-169.7	-159	5.3	111	P285 A286 R293 K319 Y320 L321 D322	P285-R289 WeakPolarHBondContact O-CB 3.32Å; P285-R289 VanDerWaalsContact O-CD 3.27Å; P285-R289 WeakPolarHBondContact O-CD 3.33Å; P285-R289 WeakPolarHBondContact O-CG 3.2Å; P285-R289 PolarHBondContact O-N 3.15Å; A286-R289 PolarHBondContact O-N 3.41Å; R289-R293 VanDerWaalsContact O-CB 3.26Å; R289-R293 WeakPolarHBondContact O-CB 3.47Å; R289-R293 WeakPolarHBondContact O-CD 3.16Å; R289-R293 WeakPolarHBondContact O-CG 3.48Å; R289-R293 PolarHBondContact O-N 2.99Å; R289-K319 PolarHBondContact NH2-O 3.45Å; R289-Y320 PolarHBondContact NE-O 3.09Å; R289-Y320 PolarHBondContact NH2-O 3.49Å; R289-L321 HydrophobicContact CG-CD2 4.25Å; R289-D322 WeakPolarHBondContact CD-OD2 3.43Å; R289-D322 IonicContact CZ-OD2 2.88Å; R289-D322 IonicContact NE-OD2 3Å; R289-D322 IonicContact NH1-OD2 3.06Å; R289-D322 PolarHBondContact NH1-OD2 3.2Å
290	S	90.3	Very high	87.2	Confident	12 Å²	12	35 Å²	35	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-41.8	-178.4	-60.1	0	0	0	0	112.7	D182 C185 A286 G287 Y288 R293 G294	D182-S290 WeakPolarHBondContact OD1-CB 3.3Å; D182-S290 PolarHBondContact OD1-OG 3.44Å; C185-S290 WeakPolarHBondContact CB-O 3.39Å; A286-S290 PolarHBondContact O-N 2.97Å; A286-S290 PolarHBondContact O-OG 2.96Å; A286-S290 VanDerWaalsContact O-OG 3.11Å; G287-S290 PolarHBondContact O-N 2.62Å; Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 2.97Å; S290-R293 PolarHBondContact O-N 3.32Å; S290-G294 PolarHBondContact O-N 2.88Å
291	M	92.5	Very high	87.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-47.4	175.6	-73.7	-63.9	-67.6	0	0	112.5	L181 W265 A271 E272 F275 G287 Y288 R293 G294 A295 L307	L181-M291 HydrophobicContact CD1-CG 4.46Å; L181-M291 HydrophobicContact CD1-SD 3.83Å; L181-M291 HydrophobicContact CD2-CG 4.36Å; W265-M291 HydrophobicContact CZ2-CE 3.98Å; W265-M291 HydrophobicContact CZ2-SD 4.19Å; A271-M291 HydrophobicContact CB-SD 4.32Å; E272-M291 HydrophobicContact CG-CE 3.92Å; E272-M291 WeakPolarHBondContact OE1-CE 3.48Å; E272-M291 VanDerWaalsContact OE2-CE 3.27Å; E272-M291 WeakPolarHBondContact OE2-CE 3.4Å; F275-M291 HydrophobicContact CB-CE 4.2Å; F275-M291 HydrophobicContact CB-CG 4.39Å; F275-M291 HydrophobicContact CB-SD 3.99Å; F275-M291 HydrophobicContact CD1-CE 4.45Å; F275-M291 HydrophobicContact CD1-CG 4.41Å; F275-M291 HydrophobicContact CD2-CG 3.73Å; F275-M291 HydrophobicContact CD2-SD 4.4Å; F275-M291 HydrophobicContact CE2-CG 4.07Å; F275-M291 HydrophobicContact CG-CE 4.33Å; F275-M291 HydrophobicContact CG-CG 3.92Å; F275-M291 HydrophobicContact CG-SD 4.17Å; G287-M291 WeakPolarHBondContact O-CG 3.43Å; G287-M291 PolarHBondContact O-N 3.36Å; Y288-M291 PolarHBondContact O-N 3.48Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.03Å; M291-G294 PolarHBondContact O-N 3.1Å; M291-A295 WeakPolarHBondContact O-CB 3.4Å; M291-A295 PolarHBondContact O-N 3.4Å; M291-L307 HydrophobicContact CB-CD1 3.81Å
292	I	91.3	Very high	87.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-44.8	178.8	-66.7	163.7	0	0	0	110.2	Y288 A296 A304 L307 L321 T325	Y288-I292 WeakPolarHBondContact O-CB 3.22Å; Y288-I292 WeakPolarHBondContact O-CD1 3.49Å; Y288-I292 WeakPolarHBondContact O-CG1 3.08Å; Y288-I292 PolarHBondContact O-N 2.93Å; I292-A296 WeakPolarHBondContact O-CB 3.38Å; I292-A296 PolarHBondContact O-N 3.36Å; I292-A304 HydrophobicContact CG2-CB 4.34Å; I292-L307 HydrophobicContact CD1-CB 4.32Å; I292-L307 HydrophobicContact CG1-CB 3.66Å; I292-L307 HydrophobicContact CG1-CD1 4.35Å; I292-L321 HydrophobicContact CD1-CD1 4.23Å; I292-L321 HydrophobicContact CD1-CD2 3.66Å; I292-T325 HydrophobicContact CB-CG2 3.74Å; I292-T325 HydrophobicContact CD1-CG2 4.24Å; I292-T325 HydrophobicContact CG2-CG2 3.48Å; I292-T325 VanDerWaalsContact CG2-CG2 3.48Å
293	R	89.5	Confident	87.4	Confident	59 Å²	59	28.6 Å²	28.6	22%	0.223	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175.4	-76	175.4	-170.4	177.7	3.3	112.4	R289 S290 M291 R297 D322 T325 Q328	R289-R293 VanDerWaalsContact O-CB 3.26Å; R289-R293 WeakPolarHBondContact O-CB 3.47Å; R289-R293 WeakPolarHBondContact O-CD 3.16Å; R289-R293 WeakPolarHBondContact O-CG 3.48Å; R289-R293 PolarHBondContact O-N 2.99Å; S290-R293 PolarHBondContact O-N 3.32Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.03Å; R293-R297 WeakPolarHBondContact O-CB 3.39Å; R293-R297 PolarHBondContact O-N 2.8Å; R293-D322 IonicContact CZ-OD1 3.54Å; R293-D322 IonicContact CZ-OD2 3.14Å; R293-D322 IonicContact NE-OD1 2.7Å; R293-D322 IonicContact NH2-OD1 3.89Å; R293-D322 PolarHBondContact NH2-OD1 3.32Å; R293-D322 IonicContact NH2-OD2 3.92Å; R293-D322 PolarHBondContact NH2-OD2 3.46Å; R293-T325 HydrophobicContact CG-CG2 4.34Å; R293-T325 PolarHBondContact NE-OG1 3.48Å; R293-T325 PolarHBondContact NH2-OG1 2.95Å; R293-Q328 HydrophobicContact CG-CG 4.49Å; R293-Q328 PolarHBondContact O-OE1 2.94Å
294	G	86.2	Confident	87.6	Confident	2 Å²	2	26 Å²	26	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-55.5	177.7	0	0	0	0	0	111.9	C185 S290 M291 A296 R297 F298	C185-G294 VanDerWaalsContact O-CA 3.28Å; C185-G294 WeakPolarHBondContact O-CA 3.5Å; S290-G294 PolarHBondContact O-N 2.88Å; M291-G294 PolarHBondContact O-N 3.1Å; G294-A296 VanDerWaalsContact C-N 3.34Å; G294-A296 PolarHBondContact O-N 2.75Å; G294-R297 PolarHBondContact O-N 3.27Å; G294-F298 VanDerWaalsContact O-CD2 3.28Å; G294-F298 WeakPolarHBondContact O-CD2 3.36Å; G294-F298 PolarHBondContact O-N 2.98Å
295	A	88.3	Confident	87.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-43.9	179.1	0	0	0	0	0	112.4	W265 M291 F298 G299 N300 R303 A304	W265-A295 HydrophobicContact CD2-CB 4.35Å; W265-A295 HydrophobicContact CG-CB 4.26Å; M291-A295 WeakPolarHBondContact O-CB 3.4Å; M291-A295 PolarHBondContact O-N 3.4Å; A295-F298 PolarHBondContact O-N 2.97Å; A295-G299 PolarHBondContact O-N 3.31Å; A295-N300 CarbonylContact O-C 3.35Å; A295-N300 PolarHBondContact O-N 3.5Å; A295-R303 HydrophobicContact CB-CB 4.26Å; A295-R303 HydrophobicContact CB-CG 4.16Å; A295-A304 HydrophobicContact CB-CB 3.94Å
296	A	86.6	Confident	88	Confident	9 Å²	9	27.2 Å²	27.2	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-40	178.2	0	0	0	0	0	112.6	I292 G294 A304 Q328 S332	I292-A296 WeakPolarHBondContact O-CB 3.38Å; I292-A296 PolarHBondContact O-N 3.36Å; G294-A296 VanDerWaalsContact C-N 3.34Å; G294-A296 PolarHBondContact O-N 2.75Å; A296-A304 HydrophobicContact CB-CB 3.93Å; A296-Q328 HydrophobicContact CB-CB 4.3Å; A296-S332 WeakPolarHBondContact O-CB 3.45Å
297	R	82.8	Confident	88.2	Confident	91 Å²	91	25.2 Å²	25.2	34%	0.343	12%	0.121	S	C	.	.	H	α-helix	trans	-66.5	-37.5	179.2	-178.9	178.7	-173.1	157.2	1.9	112.5	S196 R293 G294	S196-R297 PolarHBondContact O-NH2 3.26Å; R293-R297 WeakPolarHBondContact O-CB 3.39Å; R293-R297 PolarHBondContact O-N 2.8Å; G294-R297 PolarHBondContact O-N 3.27Å
298	F	80	Confident	88.2	Confident	12 Å²	12	25.2 Å²	25.2	5%	0.053	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	31.1	-174.3	-70.5	-67.7	0	0	0	113.2	C185 V186 N188 S196 N264 W265 G294 A295 N300	C185-F298 WeakPolarHBondContact O-CE2 3.24Å; V186-F298 WeakPolarHBondContact O-CE2 3.17Å; V186-F298 VanDerWaalsContact O-CZ 3.29Å; V186-F298 WeakPolarHBondContact O-CZ 3.3Å; N188-F298 HydrophobicContact CB-CD1 3.77Å; N188-F298 HydrophobicContact CB-CD2 3.72Å; N188-F298 HydrophobicContact CB-CE1 3.7Å; N188-F298 HydrophobicContact CB-CE2 3.66Å; N188-F298 HydrophobicContact CB-CG 3.78Å; N188-F298 HydrophobicContact CB-CZ 3.64Å; N188-F298 VanDerWaalsContact N-CE2 3.31Å; S196-F298 VanDerWaalsContact CB-CE1 3.47Å; S196-F298 VanDerWaalsContact CB-CZ 3.43Å; N264-F298 CarbonylContact C-O 3.49Å; N264-F298 WeakPolarHBondContact CA-O 3.48Å; W265-F298 HydrophobicContact CB-CB 3.82Å; W265-F298 HydrophobicContact CE3-CB 3.98Å; W265-F298 AromaticContact CE3-CD2 3.76Å; W265-F298 HydrophobicContact CE3-CD2 3.76Å; W265-F298 HydrophobicContact CE3-CG 4.23Å; W265-F298 AromaticContact CZ3-CD2 3.98Å; W265-F298 HydrophobicContact CZ3-CD2 3.98Å; W265-F298 PolarHBondContact N-O 3.41Å; G294-F298 VanDerWaalsContact O-CD2 3.28Å; G294-F298 WeakPolarHBondContact O-CD2 3.36Å; G294-F298 PolarHBondContact O-N 2.98Å; A295-F298 PolarHBondContact O-N 2.97Å; F298-N300 PolarHBondContact O-N 3.38Å
299	G	78.7	Confident	88.1	Confident	27 Å²	27	28 Å²	28	28%	0.278	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	9.7	164.4	0	0	0	0	0	116.5	A295 Q335	A295-G299 PolarHBondContact O-N 3.31Å; G299-Q335 VanDerWaalsContact CA-OE1 3.25Å
300	N	84.9	Confident	87.9	Confident	37 Å²	37	28.7 Å²	28.7	20%	0.198	14%	0.141	C	C	.	.			trans	-108.8	75.2	175.6	-165.9	-23	0	0	0	110.4	W265 A295 F298 D302 R303 A304	W265-N300 HydrophobicContact CB-CB 3.67Å; W265-N300 HydrophobicContact CG-CB 4.33Å; W265-N300 PolarHBondContact O-ND2 3.01Å; A295-N300 CarbonylContact O-C 3.35Å; A295-N300 PolarHBondContact O-N 3.5Å; F298-N300 PolarHBondContact O-N 3.38Å; N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 2.55Å; N300-R303 HydrophobicContact CB-CB 4.3Å; N300-R303 VanDerWaalsContact CG-CB 3.48Å; N300-R303 PolarHBondContact O-N 3.16Å; N300-R303 VanDerWaalsContact OD1-CB 3.22Å; N300-R303 WeakPolarHBondContact OD1-CB 3.5Å; N300-R303 PolarHBondContact OD1-N 2.88Å; N300-A304 PolarHBondContact O-N 3.17Å
301	A	86.7	Confident	87.7	Confident	2 Å²	2	28.1 Å²	28.1	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-34.9	179.5	0	0	0	0	0	112.4	A304 F305 S332 Q335 L336	A301-A304 PolarHBondContact O-N 3.29Å; A301-F305 VanDerWaalsContact O-CB 3.29Å; A301-F305 WeakPolarHBondContact O-CB 3.35Å; A301-F305 PolarHBondContact O-N 2.9Å; A301-S332 WeakPolarHBondContact CB-O 3.34Å; A301-Q335 HydrophobicContact CB-CB 3.98Å; A301-L336 HydrophobicContact CB-CB 4.42Å; A301-L336 HydrophobicContact CB-CD1 4.35Å
302	D	88.8	Confident	87.5	Confident	63 Å²	63	30.2 Å²	30.2	34%	0.337	15%	0.146	S	C	.	.	H	α-helix	trans	-62.8	-47.6	179.2	-65.6	-37.4	0	0	0	111.1	N300 A304 F305 E306 L336 T337	N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 2.55Å; D302-A304 PolarHBondContact O-N 3.19Å; D302-F305 PolarHBondContact O-N 3.3Å; D302-E306 WeakPolarHBondContact O-CB 3.37Å; D302-E306 PolarHBondContact O-N 2.85Å; D302-L336 VanDerWaalsContact OD1-CD1 3.26Å; D302-L336 WeakPolarHBondContact OD1-CD1 3.36Å; D302-T337 WeakPolarHBondContact OD1-CB 3.29Å; D302-T337 PolarHBondContact OD1-N 3.04Å; D302-T337 VanDerWaalsContact OD2-CB 3.28Å; D302-T337 WeakPolarHBondContact OD2-CB 3.46Å; D302-T337 PolarHBondContact OD2-OG1 2.98Å
303	R	90.5	Very high	87.1	Confident	22 Å²	22	37.5 Å²	37.5	8%	0.083	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-42	176.7	-177.9	55.7	172.4	167.8	-1	112.2	E272 A295 N300 F305 E306 L307	E272-R303 IonicContact OE1-CZ 3.99Å; E272-R303 IonicContact OE1-NE 3.78Å; E272-R303 PolarHBondContact OE1-NE 3.45Å; E272-R303 IonicContact OE1-NH2 3.78Å; E272-R303 IonicContact OE2-CZ 3.89Å; E272-R303 IonicContact OE2-NE 2.68Å; E272-R303 IonicContact OE2-NH2 3.2Å; E272-R303 PolarHBondContact OE2-NH2 2.89Å; A295-R303 HydrophobicContact CB-CB 4.26Å; A295-R303 HydrophobicContact CB-CG 4.16Å; N300-R303 HydrophobicContact CB-CB 4.3Å; N300-R303 VanDerWaalsContact CG-CB 3.48Å; N300-R303 PolarHBondContact O-N 3.16Å; N300-R303 VanDerWaalsContact OD1-CB 3.22Å; N300-R303 WeakPolarHBondContact OD1-CB 3.5Å; N300-R303 PolarHBondContact OD1-N 2.88Å; R303-F305 VanDerWaalsContact C-N 3.3Å; R303-F305 PolarHBondContact O-N 3.31Å; R303-E306 WeakPolarHBondContact CD-OE2 3.43Å; R303-E306 IonicContact CZ-OE2 2.7Å; R303-E306 VanDerWaalsContact NH1-CD 3.26Å; R303-E306 IonicContact NH1-OE1 3.87Å; R303-E306 PolarHBondContact NH1-OE1 3.28Å; R303-E306 IonicContact NH1-OE2 3.22Å; R303-E306 PolarHBondContact NH1-OE2 3.02Å; R303-E306 PolarHBondContact O-N 3.04Å; R303-L307 HydrophobicContact CG-CD1 4.37Å; R303-L307 WeakPolarHBondContact O-CG 3.08Å; R303-L307 PolarHBondContact O-N 3.36Å
304	A	90.7	Very high	86.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-40.6	176.2	0	0	0	0	0	111.8	I292 A295 A296 N300 A301 D302 T308 L329	I292-A304 HydrophobicContact CG2-CB 4.34Å; A295-A304 HydrophobicContact CB-CB 3.94Å; A296-A304 HydrophobicContact CB-CB 3.93Å; N300-A304 PolarHBondContact O-N 3.17Å; A301-A304 PolarHBondContact O-N 3.29Å; D302-A304 PolarHBondContact O-N 3.19Å; A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 2.7Å; A304-T308 PolarHBondContact O-OG1 3.19Å; A304-L329 HydrophobicContact CB-CD1 3.96Å
305	F	90.3	Very high	85.4	Confident	10 Å²	10	46.5 Å²	46.5	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-73.9	-38.3	179.7	-164.2	-120.8	0	0	0	112.3	A301 D302 R303 T308 K309 W312 L329 L333 L336 V349 I353	A301-F305 VanDerWaalsContact O-CB 3.29Å; A301-F305 WeakPolarHBondContact O-CB 3.35Å; A301-F305 PolarHBondContact O-N 2.9Å; D302-F305 PolarHBondContact O-N 3.3Å; R303-F305 VanDerWaalsContact C-N 3.3Å; R303-F305 PolarHBondContact O-N 3.31Å; F305-T308 WeakPolarHBondContact O-CB 3.32Å; F305-T308 PolarHBondContact O-N 2.9Å; F305-K309 HydrophobicContact CE1-CD 4.38Å; F305-K309 PolarHBondContact O-N 3.43Å; F305-W312 HydrophobicContact CE2-CH2 4.27Å; F305-W312 HydrophobicContact CE2-CZ3 4.28Å; F305-L329 HydrophobicContact CD2-CD1 4.38Å; F305-L333 HydrophobicContact CD2-CD2 4.42Å; F305-L336 HydrophobicContact CB-CD1 3.76Å; F305-L336 HydrophobicContact CD1-CD1 4.02Å; F305-L336 HydrophobicContact CD1-CD2 4.07Å; F305-L336 HydrophobicContact CE1-CD2 4.18Å; F305-L336 HydrophobicContact CG-CD1 4.05Å; F305-L336 HydrophobicContact CG-CD2 4.45Å; F305-V349 HydrophobicContact CE2-CG1 4.04Å; F305-V349 HydrophobicContact CZ-CG1 3.92Å; F305-I353 HydrophobicContact CE2-CD1 4.17Å; F305-I353 HydrophobicContact CE2-CG1 4.45Å
306	E	90.9	Very high	84	Confident	96 Å²	96	50.2 Å²	50.2	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-51.3	171.7	-174.4	-160.5	169.5	0	0	111.2	D302 R303 T308 K309 L310	D302-E306 WeakPolarHBondContact O-CB 3.37Å; D302-E306 PolarHBondContact O-N 2.85Å; R303-E306 WeakPolarHBondContact CD-OE2 3.43Å; R303-E306 IonicContact CZ-OE2 2.7Å; R303-E306 VanDerWaalsContact NH1-CD 3.26Å; R303-E306 IonicContact NH1-OE1 3.87Å; R303-E306 PolarHBondContact NH1-OE1 3.28Å; R303-E306 IonicContact NH1-OE2 3.22Å; R303-E306 PolarHBondContact NH1-OE2 3.02Å; R303-E306 PolarHBondContact O-N 3.04Å; E306-T308 PolarHBondContact O-N 3.49Å; E306-K309 PolarHBondContact O-N 3.4Å; E306-L310 WeakPolarHBondContact O-CG 3.47Å; E306-L310 PolarHBondContact O-N 3.26Å
307	L	90.5	Very high	82.9	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-35.1	176.6	-71.2	173.9	0	0	0	112.1	Y288 M291 I292 R303 L310 V311	Y288-L307 HydrophobicContact CE1-CD2 4.36Å; M291-L307 HydrophobicContact CB-CD1 3.81Å; I292-L307 HydrophobicContact CD1-CB 4.32Å; I292-L307 HydrophobicContact CG1-CB 3.66Å; I292-L307 HydrophobicContact CG1-CD1 4.35Å; R303-L307 HydrophobicContact CG-CD1 4.37Å; R303-L307 WeakPolarHBondContact O-CG 3.08Å; R303-L307 PolarHBondContact O-N 3.36Å; L307-L310 HydrophobicContact CD2-CD1 4.41Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 3.44Å
308	T	90	Very high	82	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-44.9	175.9	-58.2	0	0	0	0	111.3	A304 F305 E306 L310 V311 W312 L321 L329	A304-T308 WeakPolarHBondContact O-CB 3.06Å; A304-T308 PolarHBondContact O-N 2.7Å; A304-T308 PolarHBondContact O-OG1 3.19Å; F305-T308 WeakPolarHBondContact O-CB 3.32Å; F305-T308 PolarHBondContact O-N 2.9Å; E306-T308 PolarHBondContact O-N 3.49Å; T308-L310 VanDerWaalsContact C-N 3.33Å; T308-L310 PolarHBondContact O-N 2.64Å; T308-V311 WeakPolarHBondContact O-CB 3.37Å; T308-V311 PolarHBondContact O-N 2.91Å; T308-V311 VanDerWaalsContact O-N 3.12Å; T308-W312 HydrophobicContact CG2-CD2 3.89Å; T308-W312 VanDerWaalsContact CG2-CE2 3.43Å; T308-W312 HydrophobicContact CG2-CE3 4.27Å; T308-W312 HydrophobicContact CG2-CH2 3.88Å; T308-W312 HydrophobicContact CG2-CZ2 3.44Å; T308-W312 VanDerWaalsContact CG2-CZ2 3.44Å; T308-W312 HydrophobicContact CG2-CZ3 4.27Å; T308-W312 PolarHBondContact O-N 3.35Å; T308-L321 HydrophobicContact CG2-CD1 3.95Å; T308-L329 HydrophobicContact CG2-CD2 3.78Å
309	K	88.5	Confident	81.5	Confident	78 Å²	78	58.6 Å²	58.6	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-42.4	175.4	-74.2	-174.2	179.3	-178.2	0	112	F305 E306 V311 W312 E313	F305-K309 HydrophobicContact CE1-CD 4.38Å; F305-K309 PolarHBondContact O-N 3.43Å; E306-K309 PolarHBondContact O-N 3.4Å; K309-V311 PolarHBondContact O-N 2.83Å; K309-W312 HydrophobicContact CG-CE3 4.32Å; K309-W312 PolarHBondContact O-N 3.21Å; K309-W312 VanDerWaalsContact O-N 3.15Å; K309-E313 WeakPolarHBondContact O-CB 3.33Å; K309-E313 WeakPolarHBondContact O-CG 3.21Å; K309-E313 PolarHBondContact O-N 3.21Å
310	L	87.3	Confident	81.5	Confident	79 Å²	79	59.3 Å²	59.3	41%	0.414	28%	0.281	S	S	.	.	H	α-helix	trans	-58.4	-38	175.4	-71.4	173.9	0	0	0	112.2	E306 L307 T308 S314	E306-L310 WeakPolarHBondContact O-CG 3.47Å; E306-L310 PolarHBondContact O-N 3.26Å; L307-L310 HydrophobicContact CD2-CD1 4.41Å; T308-L310 VanDerWaalsContact C-N 3.33Å; T308-L310 PolarHBondContact O-N 2.64Å; L310-S314 WeakPolarHBondContact O-CB 3.25Å; L310-S314 PolarHBondContact O-N 3.42Å; L310-S314 VanDerWaalsContact O-N 3.12Å
311	V	87.5	Confident	81.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-45.6	175.6	174.5	0	0	0	0	110.8	Y288 L307 T308 K309 E313 S314 Y320 L321	Y288-V311 HydrophobicContact CD1-CG2 3.69Å; Y288-V311 HydrophobicContact CD2-CG2 4.08Å; Y288-V311 HydrophobicContact CE1-CG2 4.17Å; Y288-V311 HydrophobicContact CE2-CG2 4.49Å; Y288-V311 HydrophobicContact CG-CG2 3.65Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 3.44Å; T308-V311 WeakPolarHBondContact O-CB 3.37Å; T308-V311 PolarHBondContact O-N 2.91Å; T308-V311 VanDerWaalsContact O-N 3.12Å; K309-V311 PolarHBondContact O-N 2.83Å; V311-E313 PolarHBondContact O-N 3.08Å; V311-S314 PolarHBondContact O-N 3.4Å; V311-S314 PolarHBondContact O-OG 2.93Å; V311-Y320 HydrophobicContact CG1-CD1 4.27Å; V311-Y320 HydrophobicContact CG1-CG 4.37Å; V311-L321 HydrophobicContact CG1-CD1 4.23Å; V311-L321 HydrophobicContact CG1-CD2 4.19Å; V311-L321 HydrophobicContact CG1-CG 3.93Å; V311-L321 HydrophobicContact CG2-CD2 4.41Å
312	W	87.1	Confident	81.6	Confident	44 Å²	44	58.8 Å²	58.8	17%	0.167	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-34.8	178.1	-64.6	-26.4	0	0	0	113.9	F305 T308 K309 Y326 I353 H356	F305-W312 HydrophobicContact CE2-CH2 4.27Å; F305-W312 HydrophobicContact CE2-CZ3 4.28Å; T308-W312 HydrophobicContact CG2-CD2 3.89Å; T308-W312 VanDerWaalsContact CG2-CE2 3.43Å; T308-W312 HydrophobicContact CG2-CE3 4.27Å; T308-W312 HydrophobicContact CG2-CH2 3.88Å; T308-W312 HydrophobicContact CG2-CZ2 3.44Å; T308-W312 VanDerWaalsContact CG2-CZ2 3.44Å; T308-W312 HydrophobicContact CG2-CZ3 4.27Å; T308-W312 PolarHBondContact O-N 3.35Å; K309-W312 HydrophobicContact CG-CE3 4.32Å; K309-W312 PolarHBondContact O-N 3.21Å; K309-W312 VanDerWaalsContact O-N 3.15Å; W312-Y326 HydrophobicContact CZ2-CE1 4.15Å; W312-Y326 PolarHBondContact NE1-OH 2.7Å; W312-I353 HydrophobicContact CH2-CG1 3.71Å; W312-I353 HydrophobicContact CZ2-CG1 4.17Å; W312-H356 AromaticContact CD1-ND1 3.72Å; W312-H356 AromaticContact CD2-CD2 3.95Å; W312-H356 AromaticContact CD2-CE1 3.95Å; W312-H356 AromaticContact CD2-NE2 3.8Å; W312-H356 AromaticContact CE2-CD2 3.58Å; W312-H356 AromaticContact CE2-CG 3.59Å; W312-H356 AromaticContact CE2-ND1 3.94Å; W312-H356 AromaticContact CE2-NE2 3.94Å; W312-H356 AromaticContact CE3-NE2 3.96Å; W312-H356 AromaticContact CG-CE1 3.89Å; W312-H356 AromaticContact CH2-CD2 3.87Å; W312-H356 HydrophobicContact CZ2-CB 4Å; W312-H356 AromaticContact CZ2-CD2 3.54Å; W312-H356 AromaticContact CZ2-CG 3.81Å; W312-H356 AromaticContact NE1-CG 3.57Å; W312-H356 AromaticContact NE1-ND1 3.67Å
313	E	83.1	Confident	81.6	Confident	153 Å²	153	56.3 Å²	56.3	72%	0.715	27%	0.265	S	S	*	.	H	α-helix	trans	-78.4	-22.6	177.5	-71.6	174.7	-173.4	0	0	112.8	K309 V311	K309-E313 WeakPolarHBondContact O-CB 3.33Å; K309-E313 WeakPolarHBondContact O-CG 3.21Å; K309-E313 PolarHBondContact O-N 3.21Å; V311-E313 PolarHBondContact O-N 3.08Å
314	S	76.3	Confident	81.4	Confident	41 Å²	41	56.2 Å²	56.2	29%	0.287	27%	0.269	S	S	.	.	S	Bend	trans	-70	157.2	178.2	77.1	0	0	0	0	111.2	L310 V311 H316	L310-S314 WeakPolarHBondContact O-CB 3.25Å; L310-S314 PolarHBondContact O-N 3.42Å; L310-S314 VanDerWaalsContact O-N 3.12Å; V311-S314 PolarHBondContact O-N 3.4Å; V311-S314 PolarHBondContact O-OG 2.93Å; S314-H316 PolarHBondContact O-N 2.91Å; S314-H316 WeakPolarHBondContact OG-CB 3.25Å; S314-H316 PolarHBondContact OG-CD2 3.47Å; S314-H316 VanDerWaalsContact OG-CD2 3.3Å; S314-H316 PolarHBondContact OG-N 3.42Å
315	K	63.6	Low	81.4	Confident	209 Å²	209	56.2 Å²	56.2	91%	0.909	27%	0.269	S	S	*	.	S	Bend	trans	-63.3	2.8	174	-68	-174.7	178.7	-179.6	0	113.7	D317	K315-D317 PolarHBondContact O-N 3.41Å
316	H	59.9	Low	81.4	Confident	77 Å²	77	55.8 Å²	55.8	36%	0.356	27%	0.267	S	S	.	.	S	Bend	trans	-91.4	101.4	-177.9	-57.2	-57.5	0	0	0	108	S314 Y320	S314-H316 PolarHBondContact O-N 2.91Å; S314-H316 WeakPolarHBondContact OG-CB 3.25Å; S314-H316 PolarHBondContact OG-CD2 3.47Å; S314-H316 VanDerWaalsContact OG-CD2 3.3Å; S314-H316 PolarHBondContact OG-N 3.42Å; H316-Y320 HydrophobicContact CB-CD1 4.13Å; H316-Y320 HydrophobicContact CB-CD2 3.46Å; H316-Y320 VanDerWaalsContact CB-CD2 3.46Å; H316-Y320 HydrophobicContact CB-CE1 4.15Å; H316-Y320 HydrophobicContact CB-CE2 3.47Å; H316-Y320 VanDerWaalsContact CB-CE2 3.47Å; H316-Y320 HydrophobicContact CB-CG 3.78Å; H316-Y320 AromaticContact CD2-CZ 3.94Å; H316-Y320 AromaticContact CG-CE2 3.58Å; H316-Y320 AromaticContact CG-CZ 3.55Å; H316-Y320 AromaticContact ND1-CE2 3.65Å; H316-Y320 AromaticContact ND1-CZ 3.73Å
317	D	63.8	Low	81.4	Confident	114 Å²	114	51.3 Å²	51.3	61%	0.61	25%	0.246	S	C	*	.			trans	-37.2	151.9	176.1	-77.1	-19.1	0	0	0	112.9	K315 K319 Y320	K315-D317 PolarHBondContact O-N 3.41Å; D317-K319 HydrophobicContact CB-CB 4.46Å; D317-K319 PolarHBondContact O-N 2.85Å; D317-Y320 PolarHBondContact O-N 3.23Å
318	D	62.8	Low	81.3	Confident	37 Å²	37	52.2 Å²	52.2	20%	0.198	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-46.2	-18.6	176.2	-68.9	-35.6	0	0	0	115.6	Y320 L321 H356 T359	D318-Y320 PolarHBondContact O-N 2.8Å; D318-Y320 VanDerWaalsContact O-N 3.12Å; D318-L321 PolarHBondContact O-N 3.41Å; D318-H356 VanDerWaalsContact CG-ND1 3.34Å; D318-H356 IonicContact OD1-CE1 2.88Å; D318-H356 IonicContact OD1-CG 2.94Å; D318-H356 IonicContact OD1-ND1 3.47Å; D318-H356 PolarHBondContact OD1-ND1 3.11Å; D318-H356 IonicContact OD2-ND1 3.84Å; D318-H356 PolarHBondContact OD2-ND1 3.39Å; D318-T359 WeakPolarHBondContact CB-OG1 3.44Å; D318-T359 WeakPolarHBondContact OD2-CB 3.41Å; D318-T359 PolarHBondContact OD2-OG1 2.97Å
319	K	70.4	Confident	81.3	Confident	137 Å²	137	52.2 Å²	52.2	60%	0.596	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59	-12.2	168.9	-63.6	178.3	-177.4	167.4	0	114	R289 D317 L321	R289-K319 PolarHBondContact NH2-O 3.45Å; D317-K319 HydrophobicContact CB-CB 4.46Å; D317-K319 PolarHBondContact O-N 2.85Å; K319-L321 VanDerWaalsContact C-N 3.26Å; K319-L321 PolarHBondContact O-N 3.01Å
320	Y	77.6	Confident	81.5	Confident	42 Å²	42	48.5 Å²	48.5	17%	0.165	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29.6	175.3	-120.4	-119.7	0	0	0	112.4	P285 Y288 R289 V311 H316 D317 D318	P285-Y320 HydrophobicContact CB-CD1 3.95Å; P285-Y320 HydrophobicContact CB-CD2 4.34Å; P285-Y320 HydrophobicContact CB-CE1 4.13Å; P285-Y320 HydrophobicContact CB-CG 4.09Å; P285-Y320 HydrophobicContact CG-CD1 3.93Å; P285-Y320 HydrophobicContact CG-CD2 3.79Å; P285-Y320 HydrophobicContact CG-CE1 3.7Å; P285-Y320 HydrophobicContact CG-CE2 3.56Å; P285-Y320 HydrophobicContact CG-CG 4Å; Y288-Y320 HydrophobicContact CD2-CD1 4.48Å; Y288-Y320 HydrophobicContact CD2-CE1 4.32Å; R289-Y320 PolarHBondContact NE-O 3.09Å; R289-Y320 PolarHBondContact NH2-O 3.49Å; V311-Y320 HydrophobicContact CG1-CD1 4.27Å; V311-Y320 HydrophobicContact CG1-CG 4.37Å; H316-Y320 HydrophobicContact CB-CD1 4.13Å; H316-Y320 HydrophobicContact CB-CD2 3.46Å; H316-Y320 VanDerWaalsContact CB-CD2 3.46Å; H316-Y320 HydrophobicContact CB-CE1 4.15Å; H316-Y320 HydrophobicContact CB-CE2 3.47Å; H316-Y320 VanDerWaalsContact CB-CE2 3.47Å; H316-Y320 HydrophobicContact CB-CG 3.78Å; H316-Y320 AromaticContact CD2-CZ 3.94Å; H316-Y320 AromaticContact CG-CE2 3.58Å; H316-Y320 AromaticContact CG-CZ 3.55Å; H316-Y320 AromaticContact ND1-CE2 3.65Å; H316-Y320 AromaticContact ND1-CZ 3.73Å; D317-Y320 PolarHBondContact O-N 3.23Å; D318-Y320 PolarHBondContact O-N 2.8Å; D318-Y320 VanDerWaalsContact O-N 3.12Å
321	L	86.5	Confident	81.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	-105.6	144.6	178.3	-57.4	-179.6	0	0	0	110.9	R289 I292 T308 V311 D318 K319 T325 Y326	R289-L321 HydrophobicContact CG-CD2 4.25Å; I292-L321 HydrophobicContact CD1-CD1 4.23Å; I292-L321 HydrophobicContact CD1-CD2 3.66Å; T308-L321 HydrophobicContact CG2-CD1 3.95Å; V311-L321 HydrophobicContact CG1-CD1 4.23Å; V311-L321 HydrophobicContact CG1-CD2 4.19Å; V311-L321 HydrophobicContact CG1-CG 3.93Å; V311-L321 HydrophobicContact CG2-CD2 4.41Å; D318-L321 PolarHBondContact O-N 3.41Å; K319-L321 VanDerWaalsContact C-N 3.26Å; K319-L321 PolarHBondContact O-N 3.01Å; L321-T325 HydrophobicContact CD2-CG2 4.28Å; L321-Y326 HydrophobicContact CB-CD2 4.34Å; L321-Y326 HydrophobicContact CB-CE1 4.43Å; L321-Y326 HydrophobicContact CB-CE2 3.68Å; L321-Y326 HydrophobicContact CD1-CE1 3.98Å
322	D	87.5	Confident	81.7	Confident	27 Å²	27	47.9 Å²	47.9	14%	0.144	23%	0.227	C	C	.	.			trans	-102.3	167.9	176.6	59.2	22.7	0	0	0	111.8	R289 R293 A324 T325 Y326	R289-D322 WeakPolarHBondContact CD-OD2 3.43Å; R289-D322 IonicContact CZ-OD2 2.88Å; R289-D322 IonicContact NE-OD2 3Å; R289-D322 IonicContact NH1-OD2 3.06Å; R289-D322 PolarHBondContact NH1-OD2 3.2Å; R293-D322 IonicContact CZ-OD1 3.54Å; R293-D322 IonicContact CZ-OD2 3.14Å; R293-D322 IonicContact NE-OD1 2.7Å; R293-D322 IonicContact NH2-OD1 3.89Å; R293-D322 PolarHBondContact NH2-OD1 3.32Å; R293-D322 IonicContact NH2-OD2 3.92Å; R293-D322 PolarHBondContact NH2-OD2 3.46Å; D322-A324 PolarHBondContact O-N 3.31Å; D322-T325 PolarHBondContact O-N 3.24Å; D322-T325 VanDerWaalsContact O-N 3.13Å; D322-T325 WeakPolarHBondContact OD1-CB 3.22Å; D322-T325 PolarHBondContact OD1-N 2.67Å; D322-T325 PolarHBondContact OD1-OG1 2.92Å; D322-Y326 WeakPolarHBondContact O-CD2 3.38Å; D322-Y326 PolarHBondContact O-N 3.46Å
323	L	88.4	Confident	81.8	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-32.9	-177.4	-160.3	64.4	0	0	0	113.5	N327 V357 D362 P363 N365 I368	L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 PolarHBondContact O-N 3Å; L323-N327 PolarHBondContact O-ND2 3.05Å; L323-V357 HydrophobicContact CD1-CG1 3.76Å; L323-D362 HydrophobicContact CB-CB 3.92Å; L323-D362 PolarHBondContact N-OD2 3.44Å; L323-P363 VanDerWaalsContact CD2-O 3.29Å; L323-P363 WeakPolarHBondContact CD2-O 3.33Å; L323-N365 HydrophobicContact CD2-CB 4.32Å; L323-N365 WeakPolarHBondContact CD2-OD1 3.33Å; L323-I368 HydrophobicContact CD1-CD1 3.32Å; L323-I368 HydrophobicContact CD1-CG1 4.08Å; L323-I368 HydrophobicContact CD2-CD1 4.2Å; L323-I368 HydrophobicContact CG-CD1 4.01Å; L323-I368 HydrophobicContact CG-CG1 4.38Å
324	A	87.1	Confident	81.8	Confident	20 Å²	20	39.2 Å²	39.2	17%	0.165	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-36.2	180	0	0	0	0	0	111.9	H9 D322 N327 Q328	H9-A324 HydrophobicContact CB-CB 4.08Å; D322-A324 PolarHBondContact O-N 3.31Å; A324-N327 PolarHBondContact O-N 2.98Å; A324-Q328 PolarHBondContact O-N 3.15Å
325	T	89.9	Confident	82.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-45.4	173.4	-59.9	0	0	0	0	111.4	I292 R293 L321 D322 N327 Q328 L329	I292-T325 HydrophobicContact CB-CG2 3.74Å; I292-T325 HydrophobicContact CD1-CG2 4.24Å; I292-T325 HydrophobicContact CG2-CG2 3.48Å; I292-T325 VanDerWaalsContact CG2-CG2 3.48Å; R293-T325 HydrophobicContact CG-CG2 4.34Å; R293-T325 PolarHBondContact NE-OG1 3.48Å; R293-T325 PolarHBondContact NH2-OG1 2.95Å; L321-T325 HydrophobicContact CD2-CG2 4.28Å; D322-T325 PolarHBondContact O-N 3.24Å; D322-T325 VanDerWaalsContact O-N 3.13Å; D322-T325 WeakPolarHBondContact OD1-CB 3.22Å; D322-T325 PolarHBondContact OD1-N 2.67Å; D322-T325 PolarHBondContact OD1-OG1 2.92Å; T325-N327 VanDerWaalsContact C-N 3.3Å; T325-N327 PolarHBondContact O-N 2.87Å; T325-Q328 PolarHBondContact O-N 2.84Å; T325-L329 WeakPolarHBondContact O-CB 3.1Å; T325-L329 PolarHBondContact O-N 3.3Å
326	Y	91.3	Very high	83.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-39.8	174.8	-74.3	-60.4	0	0	0	112.6	W312 L321 D322 Q328 L329 I330 I353 H356 V357 C360	W312-Y326 HydrophobicContact CZ2-CE1 4.15Å; W312-Y326 PolarHBondContact NE1-OH 2.7Å; L321-Y326 HydrophobicContact CB-CD2 4.34Å; L321-Y326 HydrophobicContact CB-CE1 4.43Å; L321-Y326 HydrophobicContact CB-CE2 3.68Å; L321-Y326 HydrophobicContact CD1-CE1 3.98Å; D322-Y326 WeakPolarHBondContact O-CD2 3.38Å; D322-Y326 PolarHBondContact O-N 3.46Å; Y326-Q328 PolarHBondContact O-N 3.07Å; Y326-L329 PolarHBondContact O-N 2.52Å; Y326-I330 WeakPolarHBondContact O-CB 3.41Å; Y326-I330 VanDerWaalsContact O-CG1 3.25Å; Y326-I330 WeakPolarHBondContact O-CG1 3.31Å; Y326-I330 PolarHBondContact O-N 3.23Å; Y326-I353 HydrophobicContact CD1-CG2 3.82Å; Y326-I353 HydrophobicContact CE1-CG2 4.38Å; Y326-H356 HydrophobicContact CE1-CB 4.34Å; Y326-V357 HydrophobicContact CD1-CG2 3.96Å; Y326-V357 HydrophobicContact CD2-CG2 3.77Å; Y326-V357 HydrophobicContact CE1-CG2 4.5Å; Y326-V357 HydrophobicContact CE2-CG2 4.32Å; Y326-V357 HydrophobicContact CG-CG2 3.56Å; Y326-C360 HydrophobicContact CE2-CB 3.96Å
327	N	90.5	Very high	84.1	Confident	3 Å²	3	29 Å²	29	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-45.9	175.8	-90	-56	0	0	0	112.8	L323 A324 T325 R331 S367 I368 N371	L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 PolarHBondContact O-N 3Å; L323-N327 PolarHBondContact O-ND2 3.05Å; A324-N327 PolarHBondContact O-N 2.98Å; T325-N327 VanDerWaalsContact C-N 3.3Å; T325-N327 PolarHBondContact O-N 2.87Å; N327-R331 WeakPolarHBondContact O-CB 3.46Å; N327-R331 PolarHBondContact O-N 2.84Å; N327-R331 VanDerWaalsContact O-N 3.09Å; N327-S367 PolarHBondContact OD1-O 3.06Å; N327-I368 WeakPolarHBondContact OD1-CA 3.3Å; N327-I368 WeakPolarHBondContact OD1-CG1 3.43Å; N327-I368 PolarHBondContact OD1-N 2.68Å; N327-I368 VanDerWaalsContact OD1-N 3.09Å; N327-N371 WeakPolarHBondContact CB-ND2 3.19Å; N327-N371 PolarHBondContact O-ND2 3.36Å; N327-N371 PolarHBondContact OD1-ND2 3.27Å
328	Q	87.5	Confident	84.8	Confident	22 Å²	22	25.7 Å²	25.7	10%	0.103	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-39.7	177.7	-71.1	-170.9	18.8	0	0	112.2	H9 R293 A296 A324 T325 Y326 R331 S332	H9-Q328 PolarHBondContact CD2-NE2 3.31Å; H9-Q328 PolarHBondContact NE2-NE2 3.01Å; R293-Q328 HydrophobicContact CG-CG 4.49Å; R293-Q328 PolarHBondContact O-OE1 2.94Å; A296-Q328 HydrophobicContact CB-CB 4.3Å; A324-Q328 PolarHBondContact O-N 3.15Å; T325-Q328 PolarHBondContact O-N 2.84Å; Y326-Q328 PolarHBondContact O-N 3.07Å; Q328-R331 WeakPolarHBondContact O-CB 3.26Å; Q328-R331 PolarHBondContact O-N 3.44Å; Q328-S332 PolarHBondContact O-N 3.5Å; Q328-S332 VanDerWaalsContact O-N 3.15Å
329	L	91.4	Very high	85.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-51.9	174.5	-179.4	68.3	0	0	0	110.7	A304 F305 T308 T325 Y326 R331 S332 L333 I353	A304-L329 HydrophobicContact CB-CD1 3.96Å; F305-L329 HydrophobicContact CD2-CD1 4.38Å; T308-L329 HydrophobicContact CG2-CD2 3.78Å; T325-L329 WeakPolarHBondContact O-CB 3.1Å; T325-L329 PolarHBondContact O-N 3.3Å; Y326-L329 PolarHBondContact O-N 2.52Å; L329-R331 PolarHBondContact O-N 3.45Å; L329-S332 PolarHBondContact O-N 3.34Å; L329-S332 PolarHBondContact O-OG 2.96Å; L329-L333 WeakPolarHBondContact O-CG 3.1Å; L329-L333 PolarHBondContact O-N 2.9Å; L329-I353 HydrophobicContact CD2-CD1 4.07Å; L329-I353 HydrophobicContact CD2-CG1 4.4Å; L329-I353 HydrophobicContact CG-CD1 4.42Å
330	I	92	Very high	85.5	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.5	-44.4	177.6	-71.8	169.2	0	0	0	110.2	Y326 S332 L333 I353 I368 N371 I372 T375	Y326-I330 WeakPolarHBondContact O-CB 3.41Å; Y326-I330 VanDerWaalsContact O-CG1 3.25Å; Y326-I330 WeakPolarHBondContact O-CG1 3.31Å; Y326-I330 PolarHBondContact O-N 3.23Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.04Å; I330-L333 PolarHBondContact O-N 3.48Å; I330-I353 HydrophobicContact CD1-CG2 4.14Å; I330-I353 HydrophobicContact CG1-CG2 3.96Å; I330-I368 HydrophobicContact CD1-CG2 4.24Å; I330-N371 HydrophobicContact CG2-CB 4.08Å; I330-I372 HydrophobicContact CD1-CG1 4.48Å; I330-I372 HydrophobicContact CG2-CB 4.43Å; I330-I372 HydrophobicContact CG2-CG1 3.71Å; I330-T375 WeakPolarHBondContact O-CG2 3.41Å; I330-T375 PolarHBondContact O-OG1 3.21Å
331	R	89.2	Confident	85.2	Confident	63 Å²	63	29.2 Å²	29.2	24%	0.238	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-31.3	-179.4	-161.6	177.5	-178.7	93.9	-0.9	113.1	N327 Q328 L329 H334 N371 Y374 T375 D504	N327-R331 WeakPolarHBondContact O-CB 3.46Å; N327-R331 PolarHBondContact O-N 2.84Å; N327-R331 VanDerWaalsContact O-N 3.09Å; Q328-R331 WeakPolarHBondContact O-CB 3.26Å; Q328-R331 PolarHBondContact O-N 3.44Å; L329-R331 PolarHBondContact O-N 3.45Å; R331-H334 PolarHBondContact O-CE1 3.25Å; R331-H334 VanDerWaalsContact O-CE1 3.28Å; R331-H334 PolarHBondContact O-ND1 3.32Å; R331-N371 HydrophobicContact CB-CB 4.31Å; R331-N371 WeakPolarHBondContact CD-OD1 3.21Å; R331-N371 PolarHBondContact NH1-OD1 3.22Å; R331-Y374 HydrophobicContact CG-CD1 3.49Å; R331-Y374 VanDerWaalsContact CG-CD1 3.49Å; R331-Y374 HydrophobicContact CG-CE1 3.68Å; R331-Y374 HydrophobicContact CG-CG 4.24Å; R331-Y374 VanDerWaalsContact NH2-CD2 3.32Å; R331-T375 WeakPolarHBondContact CA-OG1 3.41Å; R331-T375 PolarHBondContact O-OG1 3.47Å; R331-D504 IonicContact CZ-OD1 3.86Å; R331-D504 IonicContact CZ-OD2 2.91Å; R331-D504 IonicContact NH1-OD1 2.78Å; R331-D504 IonicContact NH1-OD2 3.6Å; R331-D504 PolarHBondContact NH1-OD2 3.45Å; R331-D504 IonicContact NH2-OD1 2.91Å; R331-D504 PolarHBondContact NH2-OD1 2.96Å; R331-D504 IonicContact NH2-OD2 3.8Å; R331-D504 PolarHBondContact NH2-OD2 3.2Å
332	S	88.9	Confident	84.3	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-87.8	-14.7	-179.2	69.2	0	0	0	0	114.6	A296 A301 Q328 L329 I330 H334 Q335	A296-S332 WeakPolarHBondContact O-CB 3.45Å; A301-S332 WeakPolarHBondContact CB-O 3.34Å; Q328-S332 PolarHBondContact O-N 3.5Å; Q328-S332 VanDerWaalsContact O-N 3.15Å; L329-S332 PolarHBondContact O-N 3.34Å; L329-S332 PolarHBondContact O-OG 2.96Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.04Å; S332-H334 PolarHBondContact O-N 3.09Å; S332-Q335 WeakPolarHBondContact O-CB 3.17Å; S332-Q335 PolarHBondContact O-N 2.88Å
333	L	90.2	Very high	83.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56	-24.1	-173.8	-64.8	173.5	0	0	0	115.3	F305 L329 I330 Q335 L336 L346 V349 I350 I353 T375	F305-L333 HydrophobicContact CD2-CD2 4.42Å; L329-L333 WeakPolarHBondContact O-CG 3.1Å; L329-L333 PolarHBondContact O-N 2.9Å; I330-L333 PolarHBondContact O-N 3.48Å; L333-Q335 PolarHBondContact O-N 3.27Å; L333-Q335 VanDerWaalsContact O-N 3.08Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.43Å; L333-L336 PolarHBondContact O-N 3.37Å; L333-L346 HydrophobicContact CB-CD1 3.86Å; L333-V349 HydrophobicContact CD1-CG1 4.36Å; L333-V349 HydrophobicContact CD2-CG1 4.08Å; L333-I350 HydrophobicContact CD1-CG1 3.71Å; L333-I353 HydrophobicContact CD1-CD1 3.53Å; L333-I353 HydrophobicContact CD2-CD1 3.85Å; L333-I353 HydrophobicContact CG-CD1 4.23Å; L333-T375 HydrophobicContact CB-CG2 3.81Å
334	H	83.7	Confident	83.2	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.069	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.8	-5.2	175.9	73.1	-79.3	0	0	0	113.4	R331 S332 T375 H378 A379 K382	R331-H334 PolarHBondContact O-CE1 3.25Å; R331-H334 VanDerWaalsContact O-CE1 3.28Å; R331-H334 PolarHBondContact O-ND1 3.32Å; S332-H334 PolarHBondContact O-N 3.09Å; H334-T375 HydrophobicContact CB-CG2 3.92Å; H334-H378 HydrophobicContact CB-CB 4.19Å; H334-A379 HydrophobicContact CB-CB 4.28Å; H334-K382 PolarHBondContact O-NZ 3.33Å
335	Q	83.1	Confident	82.9	Confident	63 Å²	63	44.4 Å²	44.4	29%	0.294	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-109	-2.4	173.4	-70.9	165.3	-10.3	0	0	113	G299 A301 S332 L333 T337 K382	G299-Q335 VanDerWaalsContact CA-OE1 3.25Å; A301-Q335 HydrophobicContact CB-CB 3.98Å; S332-Q335 WeakPolarHBondContact O-CB 3.17Å; S332-Q335 PolarHBondContact O-N 2.88Å; L333-Q335 PolarHBondContact O-N 3.27Å; L333-Q335 VanDerWaalsContact O-N 3.08Å; Q335-T337 PolarHBondContact O-N 3.07Å; Q335-K382 VanDerWaalsContact CG-NZ 3.26Å
336	L	83.9	Confident	82.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.218	C	C	.	.			trans	-64.2	127.8	-177.1	-167.5	73.5	0	0	0	110.4	A301 D302 F305 L333 I338 V339 M340 V349	A301-L336 HydrophobicContact CB-CB 4.42Å; A301-L336 HydrophobicContact CB-CD1 4.35Å; D302-L336 VanDerWaalsContact OD1-CD1 3.26Å; D302-L336 WeakPolarHBondContact OD1-CD1 3.36Å; F305-L336 HydrophobicContact CB-CD1 3.76Å; F305-L336 HydrophobicContact CD1-CD1 4.02Å; F305-L336 HydrophobicContact CD1-CD2 4.07Å; F305-L336 HydrophobicContact CE1-CD2 4.18Å; F305-L336 HydrophobicContact CG-CD1 4.05Å; F305-L336 HydrophobicContact CG-CD2 4.45Å; L333-L336 VanDerWaalsContact O-CB 3.29Å; L333-L336 WeakPolarHBondContact O-CB 3.43Å; L333-L336 PolarHBondContact O-N 3.37Å; L336-I338 VanDerWaalsContact C-N 3.3Å; L336-I338 PolarHBondContact O-N 3.46Å; L336-V339 HydrophobicContact CB-CB 4.36Å; L336-V339 HydrophobicContact CB-CG2 4.29Å; L336-V339 HydrophobicContact CD2-CG2 4.07Å; L336-V339 PolarHBondContact O-N 3.28Å; L336-V339 VanDerWaalsContact O-N 3.15Å; L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 3.35Å; L336-V349 HydrophobicContact CD2-CG1 4.46Å
337	T	79.8	Confident	82.6	Confident	47 Å²	47	47.8 Å²	47.8	29%	0.288	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-37.5	-172.5	-67.6	0	0	0	0	112	D302 Q335 V339 M340 R341	D302-T337 WeakPolarHBondContact OD1-CB 3.29Å; D302-T337 PolarHBondContact OD1-N 3.04Å; D302-T337 VanDerWaalsContact OD2-CB 3.28Å; D302-T337 WeakPolarHBondContact OD2-CB 3.46Å; D302-T337 PolarHBondContact OD2-OG1 2.98Å; Q335-T337 PolarHBondContact O-N 3.07Å; T337-V339 VanDerWaalsContact C-N 3.32Å; T337-V339 PolarHBondContact O-N 3.49Å; T337-M340 PolarHBondContact O-N 2.97Å; T337-R341 HydrophobicContact CG2-CG 4.25Å; T337-R341 VanDerWaalsContact CG2-NE 3.31Å; T337-R341 WeakPolarHBondContact O-CB 3.33Å; T337-R341 VanDerWaalsContact O-CG 3.31Å; T337-R341 WeakPolarHBondContact O-CG 3.41Å; T337-R341 PolarHBondContact O-N 3.38Å
338	I	78.5	Confident	82.6	Confident	45 Å²	45	52.3 Å²	52.3	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-41.2	178.4	-59.5	172.5	0	0	0	111.1	L336 G342 E343 E344	L336-I338 VanDerWaalsContact C-N 3.3Å; L336-I338 PolarHBondContact O-N 3.46Å; I338-G342 PolarHBondContact O-N 2.96Å; I338-E343 HydrophobicContact CG2-CB 3.79Å; I338-E343 PolarHBondContact O-N 3.46Å; I338-E344 HydrophobicContact CG2-CB 3.8Å; I338-E344 HydrophobicContact CG2-CG 3.67Å
339	V	75.9	Confident	82.6	Confident	15 Å²	15	51.4 Å²	51.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-70.6	-42.3	175.9	171.6	0	0	0	0	110.6	L336 T337 R341 G342 L346 V349	L336-V339 HydrophobicContact CB-CB 4.36Å; L336-V339 HydrophobicContact CB-CG2 4.29Å; L336-V339 HydrophobicContact CD2-CG2 4.07Å; L336-V339 PolarHBondContact O-N 3.28Å; L336-V339 VanDerWaalsContact O-N 3.15Å; T337-V339 VanDerWaalsContact C-N 3.32Å; T337-V339 PolarHBondContact O-N 3.49Å; V339-R341 VanDerWaalsContact C-N 3.27Å; V339-R341 PolarHBondContact O-N 2.89Å; V339-G342 PolarHBondContact O-N 2.97Å; V339-L346 HydrophobicContact CG1-CB 3.76Å; V339-L346 HydrophobicContact CG1-CD1 4.16Å; V339-L346 HydrophobicContact CG1-CG 4.4Å; V339-L346 HydrophobicContact CG2-CB 4.46Å; V339-L346 HydrophobicContact CG2-CD1 4.27Å; V339-V349 HydrophobicContact CG2-CG2 4.17Å
340	M	72	Confident	82.6	Confident	102 Å²	102	51.4 Å²	51.4	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-28.7	178.6	-69.6	-161	67.8	0	0	113.2	L336 T337 G342 K382	L336-M340 WeakPolarHBondContact O-CG 3.47Å; L336-M340 PolarHBondContact O-N 3.35Å; T337-M340 PolarHBondContact O-N 2.97Å; M340-G342 VanDerWaalsContact C-N 3.3Å; M340-K382 HydrophobicContact CE-CD 4.29Å
341	R	71	Confident	82.6	Confident	173 Å²	173	53.8 Å²	53.8	65%	0.653	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.5	173.1	-70.5	178.4	-176.1	-176.4	4.2	113.6	T337 V339 E343	T337-R341 HydrophobicContact CG2-CG 4.25Å; T337-R341 VanDerWaalsContact CG2-NE 3.31Å; T337-R341 WeakPolarHBondContact O-CB 3.33Å; T337-R341 VanDerWaalsContact O-CG 3.31Å; T337-R341 WeakPolarHBondContact O-CG 3.41Å; T337-R341 PolarHBondContact O-N 3.38Å; V339-R341 VanDerWaalsContact C-N 3.27Å; V339-R341 PolarHBondContact O-N 2.89Å; R341-E343 VanDerWaalsContact C-N 3.26Å; R341-E343 HydrophobicContact CB-CG 4.04Å; R341-E343 WeakPolarHBondContact CD-OE1 3.5Å; R341-E343 IonicContact NH1-OE1 3.89Å; R341-E343 PolarHBondContact O-N 3.28Å
342	G	69.4	Low	82.7	Confident	58 Å²	58	54.1 Å²	54.1	60%	0.598	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	15.9	-176.9	0	0	0	0	0	114.1	I338 V339 M340	I338-G342 PolarHBondContact O-N 2.96Å; V339-G342 PolarHBondContact O-N 2.97Å; M340-G342 VanDerWaalsContact C-N 3.3Å
343	E	73.2	Confident	82.7	Confident	125 Å²	125	54 Å²	54	58%	0.584	27%	0.271	S	S	*	.	S	Bend	trans	-72.4	-36.9	178.4	-68.3	172.1	-163	0	0	111	I338 R341	I338-E343 HydrophobicContact CG2-CB 3.79Å; I338-E343 PolarHBondContact O-N 3.46Å; R341-E343 VanDerWaalsContact C-N 3.26Å; R341-E343 HydrophobicContact CB-CG 4.04Å; R341-E343 WeakPolarHBondContact CD-OE1 3.5Å; R341-E343 IonicContact NH1-OE1 3.89Å; R341-E343 PolarHBondContact O-N 3.28Å
344	E	77.9	Confident	82.7	Confident	85 Å²	85	56 Å²	56	40%	0.397	28%	0.282	S	S	.	.	S	Bend	trans	-126.4	143.7	173.2	-70.3	-174	168.8	0	0	111.5	I338 V349	I338-E344 HydrophobicContact CG2-CB 3.8Å; I338-E344 HydrophobicContact CG2-CG 3.67Å; E344-V349 HydrophobicContact CB-CG2 4.12Å; E344-V349 WeakPolarHBondContact OE2-CG2 3.49Å
345	K	82.5	Confident	82.9	Confident	110 Å²	110	60.6 Å²	60.6	48%	0.478	30%	0.303	S	S	.	.			trans	-73.9	127.2	174.4	-57.9	-173.9	161.6	-136.7	0	109.8	W347 N348 V349 E396	K345-W347 PolarHBondContact O-N 2.9Å; K345-W347 VanDerWaalsContact O-N 3.14Å; K345-N348 HydrophobicContact CB-CB 4.34Å; K345-N348 WeakPolarHBondContact O-CB 3.41Å; K345-N348 PolarHBondContact O-N 2.98Å; K345-V349 PolarHBondContact O-N 3.36Å; K345-E396 WeakPolarHBondContact CD-OE1 3.48Å; K345-E396 WeakPolarHBondContact CE-OE1 3.44Å; K345-E396 WeakPolarHBondContact CG-OE1 3.49Å; K345-E396 IonicContact NZ-OE1 3.89Å; K345-E396 PolarHBondContact NZ-OE1 3.36Å
346	L	86.3	Confident	83.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-51.5	-42.1	-179.3	177.7	58.3	0	0	0	112.5	L333 V339 N348 V349 I350 T375 L376 A379 Y398	L333-L346 HydrophobicContact CB-CD1 3.86Å; V339-L346 HydrophobicContact CG1-CB 3.76Å; V339-L346 HydrophobicContact CG1-CD1 4.16Å; V339-L346 HydrophobicContact CG1-CG 4.4Å; V339-L346 HydrophobicContact CG2-CB 4.46Å; V339-L346 HydrophobicContact CG2-CD1 4.27Å; L346-N348 VanDerWaalsContact C-N 3.33Å; L346-N348 PolarHBondContact O-N 3.36Å; L346-V349 PolarHBondContact O-N 2.99Å; L346-I350 HydrophobicContact CD1-CD1 4.12Å; L346-I350 HydrophobicContact CD1-CG1 4.38Å; L346-I350 HydrophobicContact CG-CD1 3.93Å; L346-I350 WeakPolarHBondContact O-CG1 3.21Å; L346-I350 PolarHBondContact O-N 3.03Å; L346-T375 HydrophobicContact CD1-CG2 4.03Å; L346-T375 HydrophobicContact CD2-CG2 4.19Å; L346-L376 HydrophobicContact CD2-CD2 4.01Å; L346-L376 HydrophobicContact CG-CD2 4.42Å; L346-A379 HydrophobicContact CD2-CB 3.43Å; L346-A379 VanDerWaalsContact CD2-CB 3.43Å; L346-Y398 HydrophobicContact CD2-CE2 4.47Å
347	W	88.2	Confident	83.3	Confident	71 Å²	71	59.5 Å²	59.5	27%	0.269	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-37.7	179.3	-175.7	-115.7	0	0	0	112.9	K345 V349 I350 V351 I372 I401 L405	K345-W347 PolarHBondContact O-N 2.9Å; K345-W347 VanDerWaalsContact O-N 3.14Å; W347-V349 VanDerWaalsContact C-N 3.33Å; W347-V349 PolarHBondContact O-N 3.28Å; W347-I350 HydrophobicContact CE3-CB 4.29Å; W347-I350 HydrophobicContact CE3-CD1 4.31Å; W347-I350 HydrophobicContact CE3-CG2 4.2Å; W347-I350 HydrophobicContact CZ3-CG2 3.99Å; W347-I350 PolarHBondContact O-N 3.01Å; W347-V351 HydrophobicContact CD2-CG2 4.14Å; W347-V351 HydrophobicContact CG-CG2 4.41Å; W347-V351 HydrophobicContact CZ2-CG2 3.99Å; W347-V351 VanDerWaalsContact O-CG2 3.29Å; W347-V351 WeakPolarHBondContact O-CG2 3.17Å; W347-V351 PolarHBondContact O-N 3.4Å; W347-I372 HydrophobicContact CZ3-CG2 4.03Å; W347-I401 HydrophobicContact CB-CD1 4.21Å; W347-I401 HydrophobicContact CD2-CD1 3.81Å; W347-I401 HydrophobicContact CD2-CG2 3.98Å; W347-I401 HydrophobicContact CE3-CD1 4.28Å; W347-I401 HydrophobicContact CE3-CG2 3.64Å; W347-I401 HydrophobicContact CG-CD1 3.75Å; W347-I401 HydrophobicContact CH2-CG2 3.5Å; W347-I401 HydrophobicContact CZ2-CG2 3.84Å; W347-I401 HydrophobicContact CZ3-CG2 3.39Å; W347-L405 HydrophobicContact CH2-CD2 4.31Å; W347-L405 HydrophobicContact CZ3-CD1 4.5Å
348	N	89.1	Confident	83.5	Confident	98 Å²	98	64.8 Å²	64.8	52%	0.524	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-39.6	178	-66.8	-7	0	0	0	111.1	K345 L346 V351 N352	K345-N348 HydrophobicContact CB-CB 4.34Å; K345-N348 WeakPolarHBondContact O-CB 3.41Å; K345-N348 PolarHBondContact O-N 2.98Å; L346-N348 VanDerWaalsContact C-N 3.33Å; L346-N348 PolarHBondContact O-N 3.36Å; N348-V351 PolarHBondContact O-N 2.74Å; N348-N352 WeakPolarHBondContact O-CB 3.45Å; N348-N352 PolarHBondContact O-N 2.69Å
349	V	89.3	Confident	83.6	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-43.6	175.2	-177	0	0	0	0	110.9	F305 L333 L336 V339 E344 K345 L346 W347 N352 I353	F305-V349 HydrophobicContact CE2-CG1 4.04Å; F305-V349 HydrophobicContact CZ-CG1 3.92Å; L333-V349 HydrophobicContact CD1-CG1 4.36Å; L333-V349 HydrophobicContact CD2-CG1 4.08Å; L336-V349 HydrophobicContact CD2-CG1 4.46Å; V339-V349 HydrophobicContact CG2-CG2 4.17Å; E344-V349 HydrophobicContact CB-CG2 4.12Å; E344-V349 WeakPolarHBondContact OE2-CG2 3.49Å; K345-V349 PolarHBondContact O-N 3.36Å; L346-V349 PolarHBondContact O-N 2.99Å; W347-V349 VanDerWaalsContact C-N 3.33Å; W347-V349 PolarHBondContact O-N 3.28Å; V349-N352 PolarHBondContact O-N 3.27Å; V349-I353 HydrophobicContact CG1-CD1 4.11Å; V349-I353 WeakPolarHBondContact O-CG1 3.29Å; V349-I353 PolarHBondContact O-N 3.17Å
350	I	91.3	Very high	83.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-45.7	176.3	-68.6	167.4	0	0	0	110.9	L333 L346 W347 N352 I353 L354 I372 T375 L376	L333-I350 HydrophobicContact CD1-CG1 3.71Å; L346-I350 HydrophobicContact CD1-CD1 4.12Å; L346-I350 HydrophobicContact CD1-CG1 4.38Å; L346-I350 HydrophobicContact CG-CD1 3.93Å; L346-I350 WeakPolarHBondContact O-CG1 3.21Å; L346-I350 PolarHBondContact O-N 3.03Å; W347-I350 HydrophobicContact CE3-CB 4.29Å; W347-I350 HydrophobicContact CE3-CD1 4.31Å; W347-I350 HydrophobicContact CE3-CG2 4.2Å; W347-I350 HydrophobicContact CZ3-CG2 3.99Å; W347-I350 PolarHBondContact O-N 3.01Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 2.88Å; I350-I353 PolarHBondContact O-N 3.37Å; I350-L354 HydrophobicContact CG2-CD1 4Å; I350-L354 HydrophobicContact CG2-CG 4.34Å; I350-L354 VanDerWaalsContact O-CG 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.46Å; I350-L354 PolarHBondContact O-N 3.01Å; I350-I372 HydrophobicContact CD1-CG2 4.38Å; I350-I372 HydrophobicContact CG2-CD1 4.12Å; I350-I372 HydrophobicContact CG2-CG1 4.03Å; I350-I372 HydrophobicContact CG2-CG2 4.29Å; I350-T375 HydrophobicContact CD1-CG2 4.49Å; I350-L376 HydrophobicContact CD1-CD2 4.03Å; I350-L376 HydrophobicContact CD1-CG 4.49Å
351	V	91.4	Very high	83.9	Confident	51 Å²	51	64.2 Å²	64.2	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-43.5	179	170.9	0	0	0	0	111	W347 N348 L354 E355	W347-V351 HydrophobicContact CD2-CG2 4.14Å; W347-V351 HydrophobicContact CG-CG2 4.41Å; W347-V351 HydrophobicContact CZ2-CG2 3.99Å; W347-V351 VanDerWaalsContact O-CG2 3.29Å; W347-V351 WeakPolarHBondContact O-CG2 3.17Å; W347-V351 PolarHBondContact O-N 3.4Å; N348-V351 PolarHBondContact O-N 2.74Å; V351-L354 WeakPolarHBondContact O-CB 3.27Å; V351-L354 PolarHBondContact O-N 3.08Å; V351-L354 VanDerWaalsContact O-N 3.16Å; V351-E355 PolarHBondContact O-N 2.88Å; V351-E355 VanDerWaalsContact O-N 3.09Å
352	N	90.3	Very high	84.3	Confident	70 Å²	70	59.3 Å²	59.3	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-48.6	175.7	-172.3	7.1	0	0	0	111.5	N348 V349 I350 L354 E355 H356	N348-N352 WeakPolarHBondContact O-CB 3.45Å; N348-N352 PolarHBondContact O-N 2.69Å; V349-N352 PolarHBondContact O-N 3.27Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 2.88Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.37Å; N352-E355 WeakPolarHBondContact O-CB 3.47Å; N352-E355 PolarHBondContact O-N 3.37Å; N352-E355 VanDerWaalsContact O-N 3.08Å; N352-H356 PolarHBondContact O-CD2 3.3Å; N352-H356 PolarHBondContact O-N 3.15Å
353	I	90.6	Very high	84.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-39.9	175.6	-68.7	161.1	0	0	0	111.4	F305 W312 Y326 L329 I330 L333 V349 I350 E355 H356 V357	F305-I353 HydrophobicContact CE2-CD1 4.17Å; F305-I353 HydrophobicContact CE2-CG1 4.45Å; W312-I353 HydrophobicContact CH2-CG1 3.71Å; W312-I353 HydrophobicContact CZ2-CG1 4.17Å; Y326-I353 HydrophobicContact CD1-CG2 3.82Å; Y326-I353 HydrophobicContact CE1-CG2 4.38Å; L329-I353 HydrophobicContact CD2-CD1 4.07Å; L329-I353 HydrophobicContact CD2-CG1 4.4Å; L329-I353 HydrophobicContact CG-CD1 4.42Å; I330-I353 HydrophobicContact CD1-CG2 4.14Å; I330-I353 HydrophobicContact CG1-CG2 3.96Å; L333-I353 HydrophobicContact CD1-CD1 3.53Å; L333-I353 HydrophobicContact CD2-CD1 3.85Å; L333-I353 HydrophobicContact CG-CD1 4.23Å; V349-I353 HydrophobicContact CG1-CD1 4.11Å; V349-I353 WeakPolarHBondContact O-CG1 3.29Å; V349-I353 PolarHBondContact O-N 3.17Å; I350-I353 PolarHBondContact O-N 3.37Å; I353-E355 VanDerWaalsContact C-N 3.26Å; I353-E355 PolarHBondContact O-N 2.91Å; I353-H356 PolarHBondContact O-N 3.42Å; I353-V357 HydrophobicContact CG2-CG2 4.25Å; I353-V357 WeakPolarHBondContact O-CG2 3.44Å; I353-V357 PolarHBondContact O-N 3.07Å
354	L	90	Very high	85.5	Confident	43 Å²	43	59 Å²	59	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-26.7	178.5	-73.7	175.1	0	0	0	113.4	I350 V351 N352 V357 K358 I368 I372	I350-L354 HydrophobicContact CG2-CD1 4Å; I350-L354 HydrophobicContact CG2-CG 4.34Å; I350-L354 VanDerWaalsContact O-CG 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.46Å; I350-L354 PolarHBondContact O-N 3.01Å; V351-L354 WeakPolarHBondContact O-CB 3.27Å; V351-L354 PolarHBondContact O-N 3.08Å; V351-L354 VanDerWaalsContact O-N 3.16Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.37Å; L354-V357 PolarHBondContact O-N 2.85Å; L354-K358 WeakPolarHBondContact O-CG 3.19Å; L354-K358 PolarHBondContact O-N 2.96Å; L354-I368 HydrophobicContact CD2-CG2 3.87Å; L354-I372 HydrophobicContact CD1-CD1 3.99Å; L354-I372 HydrophobicContact CD2-CD1 4.2Å; L354-I372 HydrophobicContact CG-CD1 4.49Å
355	E	87.6	Confident	85.8	Confident	111 Å²	111	56 Å²	56	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-43.4	172	-69.2	180	172.8	0	0	111	V351 N352 I353 V357 K358	V351-E355 PolarHBondContact O-N 2.88Å; V351-E355 VanDerWaalsContact O-N 3.09Å; N352-E355 WeakPolarHBondContact O-CB 3.47Å; N352-E355 PolarHBondContact O-N 3.37Å; N352-E355 VanDerWaalsContact O-N 3.08Å; I353-E355 VanDerWaalsContact C-N 3.26Å; I353-E355 PolarHBondContact O-N 2.91Å; E355-V357 VanDerWaalsContact C-N 3.35Å; E355-V357 PolarHBondContact O-N 3.45Å; E355-K358 WeakPolarHBondContact O-CB 3.37Å; E355-K358 PolarHBondContact O-N 2.63Å
356	H	87.4	Confident	86	Confident	40 Å²	40	51.6 Å²	51.6	19%	0.185	28%	0.284	C	S	.	.	H	α-helix	trans	-69.8	-27	173.2	-67.8	-79.1	0	0	0	113.6	W312 D318 Y326 N352 I353 K358 T359 C360	W312-H356 AromaticContact CD1-ND1 3.72Å; W312-H356 AromaticContact CD2-CD2 3.95Å; W312-H356 AromaticContact CD2-CE1 3.95Å; W312-H356 AromaticContact CD2-NE2 3.8Å; W312-H356 AromaticContact CE2-CD2 3.58Å; W312-H356 AromaticContact CE2-CG 3.59Å; W312-H356 AromaticContact CE2-ND1 3.94Å; W312-H356 AromaticContact CE2-NE2 3.94Å; W312-H356 AromaticContact CE3-NE2 3.96Å; W312-H356 AromaticContact CG-CE1 3.89Å; W312-H356 AromaticContact CH2-CD2 3.87Å; W312-H356 HydrophobicContact CZ2-CB 4Å; W312-H356 AromaticContact CZ2-CD2 3.54Å; W312-H356 AromaticContact CZ2-CG 3.81Å; W312-H356 AromaticContact NE1-CG 3.57Å; W312-H356 AromaticContact NE1-ND1 3.67Å; D318-H356 VanDerWaalsContact CG-ND1 3.34Å; D318-H356 IonicContact OD1-CE1 2.88Å; D318-H356 IonicContact OD1-CG 2.94Å; D318-H356 IonicContact OD1-ND1 3.47Å; D318-H356 PolarHBondContact OD1-ND1 3.11Å; D318-H356 IonicContact OD2-ND1 3.84Å; D318-H356 PolarHBondContact OD2-ND1 3.39Å; Y326-H356 HydrophobicContact CE1-CB 4.34Å; N352-H356 PolarHBondContact O-CD2 3.3Å; N352-H356 PolarHBondContact O-N 3.15Å; I353-H356 PolarHBondContact O-N 3.42Å; H356-K358 VanDerWaalsContact C-N 3.31Å; H356-T359 PolarHBondContact O-N 3.11Å; H356-T359 PolarHBondContact O-OG1 3.03Å; H356-C360 PolarHBondContact O-N 3.47Å
357	V	86.9	Confident	86.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-33.5	172.4	169.2	0	0	0	0	111.1	L323 Y326 I353 L354 E355 T359 C360 I364 I368	L323-V357 HydrophobicContact CD1-CG1 3.76Å; Y326-V357 HydrophobicContact CD1-CG2 3.96Å; Y326-V357 HydrophobicContact CD2-CG2 3.77Å; Y326-V357 HydrophobicContact CE1-CG2 4.5Å; Y326-V357 HydrophobicContact CE2-CG2 4.32Å; Y326-V357 HydrophobicContact CG-CG2 3.56Å; I353-V357 HydrophobicContact CG2-CG2 4.25Å; I353-V357 WeakPolarHBondContact O-CG2 3.44Å; I353-V357 PolarHBondContact O-N 3.07Å; L354-V357 PolarHBondContact O-N 2.85Å; E355-V357 VanDerWaalsContact C-N 3.35Å; E355-V357 PolarHBondContact O-N 3.45Å; V357-T359 PolarHBondContact O-N 2.97Å; V357-C360 PolarHBondContact O-N 2.93Å; V357-C360 PolarHBondContact O-SG 3.41Å; V357-I364 HydrophobicContact CG1-CG1 4.36Å; V357-I368 HydrophobicContact CG1-CD1 3.95Å
358	K	84.3	Confident	86.2	Confident	157 Å²	157	49 Å²	49	68%	0.683	28%	0.277	S	S	*	.	H	α-helix	trans	-65.9	-27.1	178.4	-70.8	168.9	-174.6	170.4	0	112.5	L354 E355 H356	L354-K358 WeakPolarHBondContact O-CG 3.19Å; L354-K358 PolarHBondContact O-N 2.96Å; E355-K358 WeakPolarHBondContact O-CB 3.37Å; E355-K358 PolarHBondContact O-N 2.63Å; H356-K358 VanDerWaalsContact C-N 3.31Å
359	T	81.9	Confident	86.4	Confident	69 Å²	69	45.4 Å²	45.4	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-91.3	-11.7	-177.6	51.4	0	0	0	0	113.5	D318 H356 V357 G361	D318-T359 WeakPolarHBondContact CB-OG1 3.44Å; D318-T359 WeakPolarHBondContact OD2-CB 3.41Å; D318-T359 PolarHBondContact OD2-OG1 2.97Å; H356-T359 PolarHBondContact O-N 3.11Å; H356-T359 PolarHBondContact O-OG1 3.03Å; V357-T359 PolarHBondContact O-N 2.97Å; T359-G361 VanDerWaalsContact C-N 3.29Å; T359-G361 PolarHBondContact O-N 2.73Å
360	C	78	Confident	86.5	Confident	13 Å²	13	45.8 Å²	45.8	9%	0.088	26%	0.259	C	S	.	.	S	Bend	trans	-68.9	-23.4	-176.6	80.2	0	0	0	0	114.1	Y326 H356 V357 D362	Y326-C360 HydrophobicContact CE2-CB 3.96Å; H356-C360 PolarHBondContact O-N 3.47Å; V357-C360 PolarHBondContact O-N 2.93Å; V357-C360 PolarHBondContact O-SG 3.41Å; C360-D362 PolarHBondContact SG-N 2.88Å
361	G	74.7	Confident	86.5	Confident	68 Å²	68	46.1 Å²	46.1	70%	0.701	26%	0.26	S	S	*	.			trans	86.5	-7.4	177.7	0	0	0	0	0	115.6	T359	T359-G361 VanDerWaalsContact C-N 3.29Å; T359-G361 PolarHBondContact O-N 2.73Å
362	D	79.6	Confident	86.6	Confident	70 Å²	70	43.8 Å²	43.8	37%	0.374	25%	0.246	S	C	.	.	S	Bend	trans	-78.4	143.9	173.4	-74.6	-25.7	0	0	0	111.4	L323 C360 I364	L323-D362 HydrophobicContact CB-CB 3.92Å; L323-D362 PolarHBondContact N-OD2 3.44Å; C360-D362 PolarHBondContact SG-N 2.88Å; D362-I364 PolarHBondContact O-N 2.93Å
363	P	83.2	Confident	86.7	Confident	104 Å²	104	40.5 Å²	40.5	68%	0.675	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-68	122.5	175.4	27.9	-33.1	0	0	0	110.5	L323 N365	L323-P363 VanDerWaalsContact CD2-O 3.29Å; L323-P363 WeakPolarHBondContact CD2-O 3.33Å; P363-N365 PolarHBondContact O-N 2.68Å
364	I	84.6	Confident	86.7	Confident	73 Å²	73	42.5 Å²	42.5	37%	0.374	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-52.1	129.1	173.4	-67.4	170.6	0	0	0	109.5	V357 D362 I368 F369 F414	V357-I364 HydrophobicContact CG1-CG1 4.36Å; D362-I364 PolarHBondContact O-N 2.93Å; I364-I368 HydrophobicContact CB-CD1 4.28Å; I364-I368 HydrophobicContact CG1-CD1 4.19Å; I364-I368 HydrophobicContact CG2-CD1 3.82Å; I364-F369 HydrophobicContact CG2-CE2 4.01Å; I364-F414 VanDerWaalsContact O-CZ 3.28Å; I364-F414 WeakPolarHBondContact O-CZ 3.37Å
365	N	85.4	Confident	86.8	Confident	22 Å²	22	40.5 Å²	40.5	12%	0.118	23%	0.226	C	C	.	.			trans	-116	169.6	177.2	71.4	-6.4	0	0	0	111.1	S11 L323 P363 S367 I368	S11-N365 PolarHBondContact O-ND2 2.96Å; L323-N365 HydrophobicContact CD2-CB 4.32Å; L323-N365 WeakPolarHBondContact CD2-OD1 3.33Å; P363-N365 PolarHBondContact O-N 2.68Å; N365-S367 PolarHBondContact ND2-OG 3.41Å; N365-S367 PolarHBondContact O-N 3.14Å; N365-S367 WeakPolarHBondContact OD1-CB 3.39Å; N365-S367 PolarHBondContact OD1-N 3.12Å; N365-I368 PolarHBondContact O-N 2.87Å
366	I	86.9	Confident	86.9	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.092	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-28.4	-180	-172.7	158	0	0	0	113.5	I368 F369 T370 L409 K415 E417	I366-I368 PolarHBondContact O-N 3.41Å; I366-I368 VanDerWaalsContact O-N 3.14Å; I366-F369 PolarHBondContact O-N 3.21Å; I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 VanDerWaalsContact O-N 3.09Å; I366-T370 PolarHBondContact O-OG1 3.14Å; I366-L409 HydrophobicContact CD1-CD2 4.47Å; I366-L409 HydrophobicContact CG1-CD2 4.15Å; I366-K415 WeakPolarHBondContact CD1-O 3.46Å; I366-E417 HydrophobicContact CD1-CB 4.28Å; I366-E417 HydrophobicContact CD1-CG 4Å
367	S	87.7	Confident	86.9	Confident	14 Å²	14	33.3 Å²	33.3	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-31.5	-178.1	-52.8	0	0	0	0	112.9	N327 N365 T370 N371	N327-S367 PolarHBondContact OD1-O 3.06Å; N365-S367 PolarHBondContact ND2-OG 3.41Å; N365-S367 PolarHBondContact O-N 3.14Å; N365-S367 WeakPolarHBondContact OD1-CB 3.39Å; N365-S367 PolarHBondContact OD1-N 3.12Å; S367-T370 PolarHBondContact O-N 2.8Å; S367-N371 WeakPolarHBondContact O-CB 3.19Å; S367-N371 VanDerWaalsContact O-CG 3.29Å; S367-N371 PolarHBondContact O-N 3.46Å; S367-N371 PolarHBondContact O-ND2 2.84Å
368	I	91	Very high	86.9	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-49.5	175.9	-65.5	171.2	0	0	0	110.4	L323 N327 I330 L354 V357 I364 N365 I366 T370 N371 I372	L323-I368 HydrophobicContact CD1-CD1 3.32Å; L323-I368 HydrophobicContact CD1-CG1 4.08Å; L323-I368 HydrophobicContact CD2-CD1 4.2Å; L323-I368 HydrophobicContact CG-CD1 4.01Å; L323-I368 HydrophobicContact CG-CG1 4.38Å; N327-I368 WeakPolarHBondContact OD1-CA 3.3Å; N327-I368 WeakPolarHBondContact OD1-CG1 3.43Å; N327-I368 PolarHBondContact OD1-N 2.68Å; N327-I368 VanDerWaalsContact OD1-N 3.09Å; I330-I368 HydrophobicContact CD1-CG2 4.24Å; L354-I368 HydrophobicContact CD2-CG2 3.87Å; V357-I368 HydrophobicContact CG1-CD1 3.95Å; I364-I368 HydrophobicContact CB-CD1 4.28Å; I364-I368 HydrophobicContact CG1-CD1 4.19Å; I364-I368 HydrophobicContact CG2-CD1 3.82Å; N365-I368 PolarHBondContact O-N 2.87Å; I366-I368 PolarHBondContact O-N 3.41Å; I366-I368 VanDerWaalsContact O-N 3.14Å; I368-T370 VanDerWaalsContact C-N 3.34Å; I368-T370 PolarHBondContact O-N 3.36Å; I368-N371 PolarHBondContact O-N 3.28Å; I368-I372 HydrophobicContact CG2-CD1 3.74Å; I368-I372 HydrophobicContact CG2-CG1 4.35Å; I368-I372 VanDerWaalsContact O-CG1 3.26Å; I368-I372 WeakPolarHBondContact O-CG1 3.28Å; I368-I372 PolarHBondContact O-N 3.46Å
369	F	92	Very high	86.9	Confident	21 Å²	21	28.6 Å²	28.6	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-41.6	179.4	-62.5	-93.2	0	0	0	111.4	I364 I366 N371 I372 L373 L405 E408 L409 L412 F414	I364-F369 HydrophobicContact CG2-CE2 4.01Å; I366-F369 PolarHBondContact O-N 3.21Å; F369-N371 VanDerWaalsContact C-N 3.33Å; F369-N371 PolarHBondContact O-N 3.29Å; F369-I372 PolarHBondContact O-N 3.27Å; F369-L373 WeakPolarHBondContact O-CB 3.2Å; F369-L373 WeakPolarHBondContact O-CG 3.39Å; F369-L373 PolarHBondContact O-N 2.76Å; F369-L405 HydrophobicContact CD1-CB 4.41Å; F369-L405 HydrophobicContact CD1-CD2 3.96Å; F369-L405 HydrophobicContact CE1-CD2 4.21Å; F369-E408 HydrophobicContact CE1-CB 4.31Å; F369-L409 HydrophobicContact CB-CD1 3.85Å; F369-L409 HydrophobicContact CB-CD2 3.82Å; F369-L409 HydrophobicContact CB-CG 3.98Å; F369-L409 HydrophobicContact CD1-CD1 4.35Å; F369-L409 HydrophobicContact CD1-CD2 3.93Å; F369-L409 HydrophobicContact CD1-CG 3.74Å; F369-L409 HydrophobicContact CD2-CD2 3.38Å; F369-L409 HydrophobicContact CD2-CG 4.15Å; F369-L409 HydrophobicContact CE1-CD2 4.34Å; F369-L409 HydrophobicContact CE1-CG 4.24Å; F369-L409 HydrophobicContact CE2-CD2 3.85Å; F369-L409 HydrophobicContact CG-CD1 4.14Å; F369-L409 HydrophobicContact CG-CD2 3.43Å; F369-L409 VanDerWaalsContact CG-CD2 3.43Å; F369-L409 HydrophobicContact CG-CG 3.69Å; F369-L409 HydrophobicContact CZ-CD2 4.31Å; F369-L412 HydrophobicContact CE2-CD1 4.27Å; F369-L412 HydrophobicContact CZ-CD1 3.68Å; F369-F414 HydrophobicContact CE2-CD2 4.36Å; F369-F414 HydrophobicContact CE2-CE2 4.45Å
370	T	90.9	Very high	86.9	Confident	11 Å²	11	25.5 Å²	25.5	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-44	175.3	-56	0	0	0	0	111.7	I366 S367 I368 Y374 T420 N423	I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 VanDerWaalsContact O-N 3.09Å; I366-T370 PolarHBondContact O-OG1 3.14Å; S367-T370 PolarHBondContact O-N 2.8Å; I368-T370 VanDerWaalsContact C-N 3.34Å; I368-T370 PolarHBondContact O-N 3.36Å; T370-Y374 WeakPolarHBondContact O-CB 3.31Å; T370-Y374 PolarHBondContact O-N 3.14Å; T370-T420 PolarHBondContact OG1-OG1 3.45Å; T370-N423 WeakPolarHBondContact CG2-ND2 3.47Å; T370-N423 PolarHBondContact O-ND2 3.13Å; T370-N423 VanDerWaalsContact O-ND2 3.11Å
371	N	91.8	Very high	87	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-72.5	-36.8	179.7	-71.1	-42	0	0	0	112.7	N327 I330 R331 S367 I368 F369 Y374 T375	N327-N371 WeakPolarHBondContact CB-ND2 3.19Å; N327-N371 PolarHBondContact O-ND2 3.36Å; N327-N371 PolarHBondContact OD1-ND2 3.27Å; I330-N371 HydrophobicContact CG2-CB 4.08Å; R331-N371 HydrophobicContact CB-CB 4.31Å; R331-N371 WeakPolarHBondContact CD-OD1 3.21Å; R331-N371 PolarHBondContact NH1-OD1 3.22Å; S367-N371 WeakPolarHBondContact O-CB 3.19Å; S367-N371 VanDerWaalsContact O-CG 3.29Å; S367-N371 PolarHBondContact O-N 3.46Å; S367-N371 PolarHBondContact O-ND2 2.84Å; I368-N371 PolarHBondContact O-N 3.28Å; F369-N371 VanDerWaalsContact C-N 3.33Å; F369-N371 PolarHBondContact O-N 3.29Å; N371-Y374 WeakPolarHBondContact O-CB 3.36Å; N371-Y374 PolarHBondContact O-N 3.02Å; N371-T375 WeakPolarHBondContact O-CB 3.46Å; N371-T375 PolarHBondContact O-N 3.28Å; N371-T375 PolarHBondContact O-OG1 3.02Å
372	I	93.3	Very high	87.1	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-50	172.8	-67.7	167.9	0	0	0	109.9	I330 W347 I350 L354 I368 F369 Y374 T375 L376 L405	I330-I372 HydrophobicContact CD1-CG1 4.48Å; I330-I372 HydrophobicContact CG2-CB 4.43Å; I330-I372 HydrophobicContact CG2-CG1 3.71Å; W347-I372 HydrophobicContact CZ3-CG2 4.03Å; I350-I372 HydrophobicContact CD1-CG2 4.38Å; I350-I372 HydrophobicContact CG2-CD1 4.12Å; I350-I372 HydrophobicContact CG2-CG1 4.03Å; I350-I372 HydrophobicContact CG2-CG2 4.29Å; L354-I372 HydrophobicContact CD1-CD1 3.99Å; L354-I372 HydrophobicContact CD2-CD1 4.2Å; L354-I372 HydrophobicContact CG-CD1 4.49Å; I368-I372 HydrophobicContact CG2-CD1 3.74Å; I368-I372 HydrophobicContact CG2-CG1 4.35Å; I368-I372 VanDerWaalsContact O-CG1 3.26Å; I368-I372 WeakPolarHBondContact O-CG1 3.28Å; I368-I372 PolarHBondContact O-N 3.46Å; F369-I372 PolarHBondContact O-N 3.27Å; I372-Y374 VanDerWaalsContact C-N 3.31Å; I372-Y374 PolarHBondContact O-N 3.06Å; I372-T375 PolarHBondContact O-N 2.81Å; I372-L376 HydrophobicContact CG2-CD1 3.93Å; I372-L376 HydrophobicContact CG2-CG 4.29Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.41Å; I372-L376 PolarHBondContact O-N 3.25Å; I372-L405 HydrophobicContact CB-CD1 4.27Å; I372-L405 HydrophobicContact CG2-CD1 3.44Å; I372-L405 VanDerWaalsContact CG2-CD1 3.44Å
373	L	92.9	Very high	86.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-41.7	178.6	-72.8	170	0	0	0	111.7	F369 T375 L376 A377 L405 T420 N423 L424 L427	F369-L373 WeakPolarHBondContact O-CB 3.2Å; F369-L373 WeakPolarHBondContact O-CG 3.39Å; F369-L373 PolarHBondContact O-N 2.76Å; L373-T375 PolarHBondContact O-N 2.66Å; L373-L376 PolarHBondContact O-N 3.01Å; L373-A377 VanDerWaalsContact O-CB 3.29Å; L373-A377 WeakPolarHBondContact O-CB 3.4Å; L373-A377 PolarHBondContact O-N 3.42Å; L373-L405 HydrophobicContact CD2-CD1 4.07Å; L373-L405 HydrophobicContact CG-CD1 4.31Å; L373-T420 HydrophobicContact CD1-CG2 3.63Å; L373-N423 HydrophobicContact CB-CB 3.76Å; L373-L424 HydrophobicContact CD1-CB 4.3Å; L373-L424 HydrophobicContact CD2-CD1 4.07Å; L373-L427 HydrophobicContact CD2-CD2 4.37Å
374	Y	91.4	Very high	86	Confident	43 Å²	43	24.8 Å²	24.8	17%	0.169	12%	0.121	C	C	.	.	H	α-helix	trans	-55.7	-51.3	174.1	178.9	-89.2	0	0	0	111.2	R331 T370 N371 I372 L376 A377 H378	R331-Y374 HydrophobicContact CG-CD1 3.49Å; R331-Y374 VanDerWaalsContact CG-CD1 3.49Å; R331-Y374 HydrophobicContact CG-CE1 3.68Å; R331-Y374 HydrophobicContact CG-CG 4.24Å; R331-Y374 VanDerWaalsContact NH2-CD2 3.32Å; T370-Y374 WeakPolarHBondContact O-CB 3.31Å; T370-Y374 PolarHBondContact O-N 3.14Å; N371-Y374 WeakPolarHBondContact O-CB 3.36Å; N371-Y374 PolarHBondContact O-N 3.02Å; I372-Y374 VanDerWaalsContact C-N 3.31Å; I372-Y374 PolarHBondContact O-N 3.06Å; Y374-L376 PolarHBondContact O-N 3.49Å; Y374-A377 PolarHBondContact O-N 3.27Å; Y374-H378 AromaticContact CD1-CD2 3.88Å; Y374-H378 AromaticContact CD2-CD2 3.72Å; Y374-H378 AromaticContact CD2-NE2 3.85Å; Y374-H378 AromaticContact CE1-CD2 3.56Å; Y374-H378 AromaticContact CE1-NE2 3.99Å; Y374-H378 AromaticContact CE2-CD2 3.4Å; Y374-H378 WeakPolarHBondContact CE2-CD2 3.46Å; Y374-H378 AromaticContact CE2-NE2 3.14Å; Y374-H378 WeakPolarHBondContact CE2-NE2 3.37Å; Y374-H378 AromaticContact CG-CD2 3.96Å; Y374-H378 AromaticContact CZ-CD2 3.31Å; Y374-H378 AromaticContact CZ-CE1 3.97Å; Y374-H378 AromaticContact CZ-NE2 3.23Å; Y374-H378 PolarHBondContact O-CD2 3.34Å; Y374-H378 PolarHBondContact O-N 2.85Å; Y374-H378 PolarHBondContact OH-NE2 2.9Å
375	T	90.7	Very high	84.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-44.5	-178.3	-62.6	0	0	0	0	112	I330 R331 L333 H334 L346 I350 N371 I372 L373 A377 A379	I330-T375 WeakPolarHBondContact O-CG2 3.41Å; I330-T375 PolarHBondContact O-OG1 3.21Å; R331-T375 WeakPolarHBondContact CA-OG1 3.41Å; R331-T375 PolarHBondContact O-OG1 3.47Å; L333-T375 HydrophobicContact CB-CG2 3.81Å; H334-T375 HydrophobicContact CB-CG2 3.92Å; L346-T375 HydrophobicContact CD1-CG2 4.03Å; L346-T375 HydrophobicContact CD2-CG2 4.19Å; I350-T375 HydrophobicContact CD1-CG2 4.49Å; N371-T375 WeakPolarHBondContact O-CB 3.46Å; N371-T375 PolarHBondContact O-N 3.28Å; N371-T375 PolarHBondContact O-OG1 3.02Å; I372-T375 PolarHBondContact O-N 2.81Å; L373-T375 PolarHBondContact O-N 2.66Å; T375-A377 PolarHBondContact O-N 2.86Å; T375-A379 VanDerWaalsContact O-CB 3.29Å; T375-A379 WeakPolarHBondContact O-CB 3.3Å; T375-A379 PolarHBondContact O-N 3.06Å
376	L	91	Very high	83.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.2	-66.4	176.7	0	0	0	111.7	L346 I350 I372 L373 Y374 A379 S380 Y398 I401 L405 L427	L346-L376 HydrophobicContact CD2-CD2 4.01Å; L346-L376 HydrophobicContact CG-CD2 4.42Å; I350-L376 HydrophobicContact CD1-CD2 4.03Å; I350-L376 HydrophobicContact CD1-CG 4.49Å; I372-L376 HydrophobicContact CG2-CD1 3.93Å; I372-L376 HydrophobicContact CG2-CG 4.29Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.41Å; I372-L376 PolarHBondContact O-N 3.25Å; L373-L376 PolarHBondContact O-N 3.01Å; Y374-L376 PolarHBondContact O-N 3.49Å; L376-A379 PolarHBondContact O-N 3.5Å; L376-S380 WeakPolarHBondContact O-CB 3.44Å; L376-S380 PolarHBondContact O-N 3.44Å; L376-S380 PolarHBondContact O-OG 2.81Å; L376-Y398 HydrophobicContact CD2-CD1 3.84Å; L376-Y398 HydrophobicContact CD2-CD2 4.29Å; L376-Y398 HydrophobicContact CD2-CE1 4.28Å; L376-Y398 HydrophobicContact CD2-CG 3.86Å; L376-I401 HydrophobicContact CD1-CG2 3.98Å; L376-L405 HydrophobicContact CD1-CD1 4.28Å; L376-L427 HydrophobicContact CB-CD1 4.19Å; L376-L427 HydrophobicContact CB-CD2 4.27Å
377	A	87.4	Confident	81.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-46.8	179.5	0	0	0	0	0	111.8	L373 Y374 T375 A379 S380 A381 F426 L427	L373-A377 VanDerWaalsContact O-CB 3.29Å; L373-A377 WeakPolarHBondContact O-CB 3.4Å; L373-A377 PolarHBondContact O-N 3.42Å; Y374-A377 PolarHBondContact O-N 3.27Å; T375-A377 PolarHBondContact O-N 2.86Å; A377-A379 PolarHBondContact O-N 3.15Å; A377-S380 WeakPolarHBondContact O-CB 3.49Å; A377-S380 PolarHBondContact O-N 3.45Å; A377-A381 WeakPolarHBondContact O-CB 3.2Å; A377-A381 PolarHBondContact O-N 2.98Å; A377-F426 HydrophobicContact CB-CB 4.3Å; A377-F426 HydrophobicContact CB-CD1 3.4Å; A377-F426 VanDerWaalsContact CB-CD1 3.4Å; A377-F426 HydrophobicContact CB-CE1 4.04Å; A377-F426 HydrophobicContact CB-CG 4.16Å; A377-L427 HydrophobicContact CB-CB 3.83Å
378	H	86.5	Confident	79.4	Confident	54 Å²	54	38.3 Å²	38.3	25%	0.25	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-34.3	177.5	-85.3	-87.8	0	0	0	113.1	H334 Y374 K382 F426	H334-H378 HydrophobicContact CB-CB 4.19Å; Y374-H378 AromaticContact CD1-CD2 3.88Å; Y374-H378 AromaticContact CD2-CD2 3.72Å; Y374-H378 AromaticContact CD2-NE2 3.85Å; Y374-H378 AromaticContact CE1-CD2 3.56Å; Y374-H378 AromaticContact CE1-NE2 3.99Å; Y374-H378 AromaticContact CE2-CD2 3.4Å; Y374-H378 WeakPolarHBondContact CE2-CD2 3.46Å; Y374-H378 AromaticContact CE2-NE2 3.14Å; Y374-H378 WeakPolarHBondContact CE2-NE2 3.37Å; Y374-H378 AromaticContact CG-CD2 3.96Å; Y374-H378 AromaticContact CZ-CD2 3.31Å; Y374-H378 AromaticContact CZ-CE1 3.97Å; Y374-H378 AromaticContact CZ-NE2 3.23Å; Y374-H378 PolarHBondContact O-CD2 3.34Å; Y374-H378 PolarHBondContact O-N 2.85Å; Y374-H378 PolarHBondContact OH-NE2 2.9Å; H378-K382 WeakPolarHBondContact O-CB 3.43Å; H378-K382 WeakPolarHBondContact O-CG 3Å; H378-K382 PolarHBondContact O-N 2.85Å; H378-F426 AromaticContact CD2-CE1 3.96Å; H378-F426 AromaticContact NE2-CE1 3.84Å
379	A	84.6	Confident	76.9	Confident	6 Å²	6	44.4 Å²	44.4	5%	0.05	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-45.8	171.5	0	0	0	0	0	111.2	H334 L346 T375 L376 A377 A381 K382 M383 Y398	H334-A379 HydrophobicContact CB-CB 4.28Å; L346-A379 HydrophobicContact CD2-CB 3.43Å; L346-A379 VanDerWaalsContact CD2-CB 3.43Å; T375-A379 VanDerWaalsContact O-CB 3.29Å; T375-A379 WeakPolarHBondContact O-CB 3.3Å; T375-A379 PolarHBondContact O-N 3.06Å; L376-A379 PolarHBondContact O-N 3.5Å; A377-A379 PolarHBondContact O-N 3.15Å; A379-A381 PolarHBondContact O-N 3.37Å; A379-K382 PolarHBondContact O-N 3.05Å; A379-M383 VanDerWaalsContact O-CG 3.31Å; A379-M383 WeakPolarHBondContact O-CG 3.48Å; A379-M383 PolarHBondContact O-N 2.95Å; A379-Y398 HydrophobicContact CB-CE2 4.39Å
380	S	82.3	Confident	74.3	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-43.7	176.6	-53.6	0	0	0	0	111.9	L376 A377 M383 K384 Y398 L427	L376-S380 WeakPolarHBondContact O-CB 3.44Å; L376-S380 PolarHBondContact O-N 3.44Å; L376-S380 PolarHBondContact O-OG 2.81Å; A377-S380 WeakPolarHBondContact O-CB 3.49Å; A377-S380 PolarHBondContact O-N 3.45Å; S380-M383 PolarHBondContact O-N 2.96Å; S380-K384 PolarHBondContact O-N 3.17Å; S380-Y398 WeakPolarHBondContact OG-CD2 3.36Å; S380-L427 VanDerWaalsContact OG-CD1 3.26Å; S380-L427 WeakPolarHBondContact OG-CD1 3.46Å
381	A	80.2	Confident	71.8	Confident	9 Å²	9	53.2 Å²	53.2	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-47.5	175.5	0	0	0	0	0	111.5	A377 A379 M383 K384 Y385 F426 E430	A377-A381 WeakPolarHBondContact O-CB 3.2Å; A377-A381 PolarHBondContact O-N 2.98Å; A379-A381 PolarHBondContact O-N 3.37Å; A381-M383 VanDerWaalsContact C-N 3.31Å; A381-M383 PolarHBondContact O-N 3.09Å; A381-K384 WeakPolarHBondContact O-CB 3.5Å; A381-K384 PolarHBondContact O-N 3.12Å; A381-K384 VanDerWaalsContact O-N 3.11Å; A381-Y385 HydrophobicContact CB-CE2 4.43Å; A381-Y385 WeakPolarHBondContact O-CD2 3.4Å; A381-Y385 PolarHBondContact O-N 3.4Å; A381-F426 HydrophobicContact CB-CZ 4.19Å; A381-E430 HydrophobicContact CB-CB 4.14Å; A381-E430 HydrophobicContact CB-CG 4.05Å
382	K	76.2	Confident	69.2	Low	69 Å²	69	61 Å²	61	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-40.6	176.5	-79.3	-175.8	174.5	-174	0	112.3	H334 Q335 M340 H378 A379 K384 Y385 S386	H334-K382 PolarHBondContact O-NZ 3.33Å; Q335-K382 VanDerWaalsContact CG-NZ 3.26Å; M340-K382 HydrophobicContact CE-CD 4.29Å; H378-K382 WeakPolarHBondContact O-CB 3.43Å; H378-K382 WeakPolarHBondContact O-CG 3Å; H378-K382 PolarHBondContact O-N 2.85Å; A379-K382 PolarHBondContact O-N 3.05Å; K382-K384 VanDerWaalsContact C-N 3.31Å; K382-K384 PolarHBondContact O-N 3.14Å; K382-Y385 PolarHBondContact O-N 3.23Å; K382-S386 VanDerWaalsContact O-CB 3.31Å; K382-S386 WeakPolarHBondContact O-CB 3.06Å; K382-S386 PolarHBondContact O-N 3.33Å; K382-S386 PolarHBondContact O-OG 3.03Å
383	M	71.1	Confident	66.8	Low	96 Å²	96	68.6 Å²	68.6	47%	0.473	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-38.2	175.1	-70.5	173.5	179.9	0	0	111.9	A379 S380 A381 S386 Y398	A379-M383 VanDerWaalsContact O-CG 3.31Å; A379-M383 WeakPolarHBondContact O-CG 3.48Å; A379-M383 PolarHBondContact O-N 2.95Å; S380-M383 PolarHBondContact O-N 2.96Å; A381-M383 VanDerWaalsContact C-N 3.31Å; A381-M383 PolarHBondContact O-N 3.09Å; M383-S386 WeakPolarHBondContact CA-OG 3.14Å; M383-S386 PolarHBondContact O-OG 3.37Å; M383-Y398 HydrophobicContact CE-CE2 4.11Å; M383-Y398 HydrophobicContact SD-CE2 4.32Å
384	K	67.6	Low	64.5	Low	65 Å²	65	72.6 Å²	72.6	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-38.5	176	-179.9	178.9	171.3	-173.5	0	113	S380 A381 K382 E430	S380-K384 PolarHBondContact O-N 3.17Å; A381-K384 WeakPolarHBondContact O-CB 3.5Å; A381-K384 PolarHBondContact O-N 3.12Å; A381-K384 VanDerWaalsContact O-N 3.11Å; K382-K384 VanDerWaalsContact C-N 3.31Å; K382-K384 PolarHBondContact O-N 3.14Å; K384-E430 WeakPolarHBondContact CD-O 3.26Å; K384-E430 WeakPolarHBondContact CD-OE2 3.34Å; K384-E430 IonicContact NZ-OE2 2.66Å; K384-E430 PolarHBondContact NZ-OE2 3.19Å
385	Y	63.3	Low	62.6	Low	140 Å²	140	78.4 Å²	78.4	55%	0.549	42%	0.423	S	S	.	.	H	α-helix	trans	-91	-19	-177.2	-64.6	-66.1	0	0	0	114.4	A381 K382 M387	A381-Y385 HydrophobicContact CB-CE2 4.43Å; A381-Y385 WeakPolarHBondContact O-CD2 3.4Å; A381-Y385 PolarHBondContact O-N 3.4Å; K382-Y385 PolarHBondContact O-N 3.23Å; Y385-M387 PolarHBondContact O-N 2.95Å
386	S	57.6	Low	61.2	Low	56 Å²	56	80.8 Å²	80.8	39%	0.392	43%	0.434	S	S	.	.			trans	-80.6	64.6	173.5	50	0	0	0	0	110.9	K382 M383 S388	K382-S386 VanDerWaalsContact O-CB 3.31Å; K382-S386 WeakPolarHBondContact O-CB 3.06Å; K382-S386 PolarHBondContact O-N 3.33Å; K382-S386 PolarHBondContact O-OG 3.03Å; M383-S386 WeakPolarHBondContact CA-OG 3.14Å; M383-S386 PolarHBondContact O-OG 3.37Å; S386-S388 PolarHBondContact O-N 3.34Å
387	M	47.7	Very low	60.4	Low	147 Å²	147	83.4 Å²	83.4	72%	0.724	45%	0.448	S	S	*	.			trans	-71.4	68.7	166.3	-72.3	-155.1	98.9	0	0	110.3	Y385 Y464	Y385-M387 PolarHBondContact O-N 2.95Å; M387-Y464 WeakPolarHBondContact CE-OH 3.31Å
388	S	37.5	Very low	60.3	Low	69 Å²	69	83.6 Å²	83.6	48%	0.483	45%	0.449	S	S	.	.			trans	-90	118.5	148.3	-59	0	0	0	0	105.9	S386 T390 L391	S386-S388 PolarHBondContact O-N 3.34Å; S388-T390 PolarHBondContact O-N 3.44Å; S388-L391 PolarHBondContact O-N 3.21Å
389	S	39	Very low	60.2	Low	132 Å²	132	81.5 Å²	81.5	92%	0.923	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	9.4	-177.2	48.6	0	0	0	0	115.3
390	T	37.9	Very low	60.3	Low	115 Å²	115	85 Å²	85	71%	0.706	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-8.8	-174.9	44.7	0	0	0	0	114.1	S388 H392	S388-T390 PolarHBondContact O-N 3.44Å; T390-H392 PolarHBondContact O-N 3.13Å
391	L	37.1	Very low	60.6	Low	102 Å²	102	86.6 Å²	86.6	53%	0.534	47%	0.472	S	S	.	.	S	Bend	trans	-83.1	105	165.9	-88.7	104	0	0	0	108.7	S388 L393	S388-L391 PolarHBondContact O-N 3.21Å; L391-L393 PolarHBondContact O-N 2.9Å; L391-L393 VanDerWaalsContact O-N 3.14Å
392	H	38.1	Very low	61	Low	169 Å²	169	86.1 Å²	86.1	78%	0.782	47%	0.468	S	S	*	.			trans	-44.1	123.3	161.8	-80	-86.8	0	0	0	108.2	T390 S394	T390-H392 PolarHBondContact O-N 3.13Å; H392-S394 PolarHBondContact O-N 3.33Å
393	L	42.8	Very low	61.7	Low	162 Å²	162	85.9 Å²	85.9	85%	0.848	47%	0.47	S	S	*	.			trans	-60.3	76.2	159.2	-79.1	104.4	0	0	0	107.3	L391 D395	L391-L393 PolarHBondContact O-N 2.9Å; L391-L393 VanDerWaalsContact O-N 3.14Å; L393-D395 PolarHBondContact O-N 2.98Å; L393-D395 VanDerWaalsContact O-N 3.11Å
394	S	43.7	Very low	62.6	Low	85 Å²	85	82.8 Å²	82.8	59%	0.594	46%	0.462	S	S	*	.			trans	-74.2	98.7	172.6	54.6	0	0	0	0	106.4	H392 E396	H392-S394 PolarHBondContact O-N 3.33Å; S394-E396 WeakPolarHBondContact O-CG 3.47Å; S394-E396 PolarHBondContact O-N 3.27Å
395	D	52.1	Low	63.8	Low	166 Å²	166	80.4 Å²	80.4	89%	0.888	45%	0.453	S	S	*	.	S	Bend	trans	33.3	4.4	149.9	-75.3	-21.3	0	0	0	122.3	L393 N397	L393-D395 PolarHBondContact O-N 2.98Å; L393-D395 VanDerWaalsContact O-N 3.11Å; D395-N397 PolarHBondContact O-N 2.9Å
396	E	62	Low	65	Low	49 Å²	49	74.1 Å²	74.1	23%	0.229	43%	0.429	C	S	.	.			trans	-93.1	73.6	-169.8	-63	-156.5	169.2	0	0	111	K345 S394 Y398	K345-E396 WeakPolarHBondContact CD-OE1 3.48Å; K345-E396 WeakPolarHBondContact CE-OE1 3.44Å; K345-E396 WeakPolarHBondContact CG-OE1 3.49Å; K345-E396 IonicContact NZ-OE1 3.89Å; K345-E396 PolarHBondContact NZ-OE1 3.36Å; S394-E396 WeakPolarHBondContact O-CG 3.47Å; S394-E396 PolarHBondContact O-N 3.27Å; E396-Y398 HydrophobicContact CB-CE1 3.95Å; E396-Y398 PolarHBondContact O-N 3.29Å; E396-Y398 WeakPolarHBondContact OE2-CE1 3.47Å; E396-Y398 PolarHBondContact OE2-OH 2.9Å
397	N	74.3	Confident	66.6	Low	55 Å²	55	76.4 Å²	76.4	29%	0.294	44%	0.436	S	S	.	.			trans	-77.6	95.8	165.9	179.9	9.9	0	0	0	110.6	D395 V399 S400 Y467	D395-N397 PolarHBondContact O-N 2.9Å; N397-V399 PolarHBondContact O-N 3.47Å; N397-V399 WeakPolarHBondContact OD1-CB 3.31Å; N397-V399 VanDerWaalsContact OD1-CG2 3.27Å; N397-V399 WeakPolarHBondContact OD1-CG2 3.39Å; N397-V399 PolarHBondContact OD1-N 3.33Å; N397-V399 VanDerWaalsContact OD1-N 3.08Å; N397-S400 PolarHBondContact O-OG 3.31Å; N397-Y467 PolarHBondContact ND2-OH 3.11Å
398	Y	84.7	Confident	68.6	Low	4 Å²	4	72.8 Å²	72.8	2%	0.016	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.9	178.2	-60	-51.6	0	0	0	114.1	L346 L376 A379 S380 M383 E396 S400 I401 G402	L346-Y398 HydrophobicContact CD2-CE2 4.47Å; L376-Y398 HydrophobicContact CD2-CD1 3.84Å; L376-Y398 HydrophobicContact CD2-CD2 4.29Å; L376-Y398 HydrophobicContact CD2-CE1 4.28Å; L376-Y398 HydrophobicContact CD2-CG 3.86Å; A379-Y398 HydrophobicContact CB-CE2 4.39Å; S380-Y398 WeakPolarHBondContact OG-CD2 3.36Å; M383-Y398 HydrophobicContact CE-CE2 4.11Å; M383-Y398 HydrophobicContact SD-CE2 4.32Å; E396-Y398 HydrophobicContact CB-CE1 3.95Å; E396-Y398 PolarHBondContact O-N 3.29Å; E396-Y398 WeakPolarHBondContact OE2-CE1 3.47Å; E396-Y398 PolarHBondContact OE2-OH 2.9Å; Y398-S400 VanDerWaalsContact C-N 3.3Å; Y398-S400 PolarHBondContact O-N 3.44Å; Y398-I401 HydrophobicContact CD1-CD1 4.17Å; Y398-I401 WeakPolarHBondContact O-CB 3.47Å; Y398-I401 PolarHBondContact O-N 2.82Å; Y398-I401 VanDerWaalsContact O-N 3.14Å; Y398-G402 PolarHBondContact O-N 3.23Å
399	V	85.5	Confident	71	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.067	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-40.9	-180	175.9	0	0	0	0	111.8	N397 I401 G402 L403 L427 I428 T431 Y467	N397-V399 PolarHBondContact O-N 3.47Å; N397-V399 WeakPolarHBondContact OD1-CB 3.31Å; N397-V399 VanDerWaalsContact OD1-CG2 3.27Å; N397-V399 WeakPolarHBondContact OD1-CG2 3.39Å; N397-V399 PolarHBondContact OD1-N 3.33Å; N397-V399 VanDerWaalsContact OD1-N 3.08Å; V399-I401 VanDerWaalsContact C-N 3.29Å; V399-I401 PolarHBondContact O-N 2.88Å; V399-G402 PolarHBondContact O-N 2.82Å; V399-L403 HydrophobicContact CG1-CD1 4.13Å; V399-L403 HydrophobicContact CG1-CG 4.41Å; V399-L403 WeakPolarHBondContact O-CG 3.31Å; V399-L403 PolarHBondContact O-N 2.92Å; V399-L427 HydrophobicContact CG2-CG 4.42Å; V399-I428 HydrophobicContact CG1-CG1 3.92Å; V399-I428 HydrophobicContact CG2-CG1 4.49Å; V399-T431 HydrophobicContact CG2-CG2 3.95Å; V399-T431 WeakPolarHBondContact CG2-OG1 3.38Å; V399-Y467 HydrophobicContact CG2-CD2 4.08Å; V399-Y467 HydrophobicContact CG2-CE2 4.05Å
400	S	86	Confident	73.3	Confident	79 Å²	79	67.3 Å²	67.3	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-59.6	-41.6	177.6	61.4	0	0	0	0	112	N397 Y398 G404	N397-S400 PolarHBondContact O-OG 3.31Å; Y398-S400 VanDerWaalsContact C-N 3.3Å; Y398-S400 PolarHBondContact O-N 3.44Å; S400-G404 PolarHBondContact O-N 2.93Å
401	I	88.8	Confident	75.7	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.195	37%	0.365	C	S	.	.	H	α-helix	trans	-67.1	-44.4	176.3	-61.9	177.3	0	0	0	110.2	W347 L376 Y398 V399 L403 G404 L405	W347-I401 HydrophobicContact CB-CD1 4.21Å; W347-I401 HydrophobicContact CD2-CD1 3.81Å; W347-I401 HydrophobicContact CD2-CG2 3.98Å; W347-I401 HydrophobicContact CE3-CD1 4.28Å; W347-I401 HydrophobicContact CE3-CG2 3.64Å; W347-I401 HydrophobicContact CG-CD1 3.75Å; W347-I401 HydrophobicContact CH2-CG2 3.5Å; W347-I401 HydrophobicContact CZ2-CG2 3.84Å; W347-I401 HydrophobicContact CZ3-CG2 3.39Å; L376-I401 HydrophobicContact CD1-CG2 3.98Å; Y398-I401 HydrophobicContact CD1-CD1 4.17Å; Y398-I401 WeakPolarHBondContact O-CB 3.47Å; Y398-I401 PolarHBondContact O-N 2.82Å; Y398-I401 VanDerWaalsContact O-N 3.14Å; V399-I401 VanDerWaalsContact C-N 3.29Å; V399-I401 PolarHBondContact O-N 2.88Å; I401-L403 PolarHBondContact O-N 3.44Å; I401-G404 CarbonylContact O-C 3.59Å; I401-G404 WeakPolarHBondContact O-CA 3.01Å; I401-G404 PolarHBondContact O-N 3.07Å; I401-G404 VanDerWaalsContact O-N 3.13Å; I401-L405 HydrophobicContact CG2-CD1 4.3Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.49Å
402	G	89.1	Confident	78.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-43.8	177.3	0	0	0	0	0	113.4	Y398 V399 L405 L406	Y398-G402 PolarHBondContact O-N 3.23Å; V399-G402 PolarHBondContact O-N 2.82Å; G402-L405 PolarHBondContact O-N 3.2Å; G402-L406 PolarHBondContact O-N 3.34Å; G402-L406 VanDerWaalsContact O-N 3.14Å
403	L	90	Very high	80.4	Confident	63 Å²	63	67.6 Å²	67.6	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-36.2	174.3	-67.2	174.3	0	0	0	112.1	V399 I401 L406 N407 L424 I428 L472	V399-L403 HydrophobicContact CG1-CD1 4.13Å; V399-L403 HydrophobicContact CG1-CG 4.41Å; V399-L403 WeakPolarHBondContact O-CG 3.31Å; V399-L403 PolarHBondContact O-N 2.92Å; I401-L403 PolarHBondContact O-N 3.44Å; L403-L406 PolarHBondContact O-N 3.11Å; L403-N407 PolarHBondContact O-N 3.27Å; L403-N407 VanDerWaalsContact O-N 3.12Å; L403-L424 HydrophobicContact CD2-CD1 4.4Å; L403-L424 HydrophobicContact CD2-CD2 4.43Å; L403-I428 HydrophobicContact CD2-CD1 4.49Å; L403-L472 HydrophobicContact CD2-CD2 3.84Å
404	G	90.7	Very high	82.3	Confident	31 Å²	31	63 Å²	63	32%	0.32	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-44.1	171.1	0	0	0	0	0	112.6	S400 I401 L406 N407 E408	S400-G404 PolarHBondContact O-N 2.93Å; I401-G404 CarbonylContact O-C 3.59Å; I401-G404 WeakPolarHBondContact O-CA 3.01Å; I401-G404 PolarHBondContact O-N 3.07Å; I401-G404 VanDerWaalsContact O-N 3.13Å; G404-L406 VanDerWaalsContact C-N 3.33Å; G404-L406 PolarHBondContact O-N 2.83Å; G404-N407 PolarHBondContact O-N 3.2Å; G404-E408 PolarHBondContact O-N 3.45Å
405	L	91.7	Very high	84.1	Confident	16 Å²	16	65.4 Å²	65.4	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-36.3	176.7	-70.6	169.2	0	0	0	112.5	W347 F369 I372 L373 L376 I401 G402 E408 L409	W347-L405 HydrophobicContact CH2-CD2 4.31Å; W347-L405 HydrophobicContact CZ3-CD1 4.5Å; F369-L405 HydrophobicContact CD1-CB 4.41Å; F369-L405 HydrophobicContact CD1-CD2 3.96Å; F369-L405 HydrophobicContact CE1-CD2 4.21Å; I372-L405 HydrophobicContact CB-CD1 4.27Å; I372-L405 HydrophobicContact CG2-CD1 3.44Å; I372-L405 VanDerWaalsContact CG2-CD1 3.44Å; L373-L405 HydrophobicContact CD2-CD1 4.07Å; L373-L405 HydrophobicContact CG-CD1 4.31Å; L376-L405 HydrophobicContact CD1-CD1 4.28Å; I401-L405 HydrophobicContact CG2-CD1 4.3Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.49Å; G402-L405 PolarHBondContact O-N 3.2Å; L405-E408 PolarHBondContact O-N 3.49Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 3.48Å
406	L	89.5	Confident	85.4	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-42.7	173.6	-178	66.3	0	0	0	111.7	G402 L403 G404 E408 L409 K410 P416 L421 L424	G402-L406 PolarHBondContact O-N 3.34Å; G402-L406 VanDerWaalsContact O-N 3.14Å; L403-L406 PolarHBondContact O-N 3.11Å; G404-L406 VanDerWaalsContact C-N 3.33Å; G404-L406 PolarHBondContact O-N 2.83Å; L406-E408 VanDerWaalsContact C-N 3.32Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.69Å; L406-K410 WeakPolarHBondContact O-CG 3.43Å; L406-K410 PolarHBondContact O-N 2.86Å; L406-P416 HydrophobicContact CD1-CB 4.38Å; L406-L421 HydrophobicContact CD1-CD2 4.21Å; L406-L424 HydrophobicContact CB-CD2 4.3Å; L406-L424 HydrophobicContact CD2-CD2 3.79Å; L406-L424 HydrophobicContact CG-CD2 4.46Å
407	N	89.9	Confident	86.4	Confident	103 Å²	103	60.7 Å²	60.7	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-64.6	-38.8	176.1	-71.6	-25.1	0	0	0	111.6	L403 G404 K410 R411	L403-N407 PolarHBondContact O-N 3.27Å; L403-N407 VanDerWaalsContact O-N 3.12Å; G404-N407 PolarHBondContact O-N 3.2Å; N407-K410 PolarHBondContact O-N 2.66Å; N407-R411 WeakPolarHBondContact O-CB 3.48Å; N407-R411 PolarHBondContact O-N 3.05Å
408	E	89.4	Confident	87	Confident	72 Å²	72	58.7 Å²	58.7	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.1	-77.2	-61.5	132.4	0	0	112.6	F369 G404 L405 L406 K410 R411 L412	F369-E408 HydrophobicContact CE1-CB 4.31Å; G404-E408 PolarHBondContact O-N 3.45Å; L405-E408 PolarHBondContact O-N 3.49Å; L406-E408 VanDerWaalsContact C-N 3.32Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 3.3Å; E408-R411 VanDerWaalsContact CD-NE 3.33Å; E408-R411 WeakPolarHBondContact O-CB 3.39Å; E408-R411 PolarHBondContact O-N 2.9Å; E408-R411 IonicContact OE1-CZ 3.04Å; E408-R411 IonicContact OE1-NE 2.69Å; E408-R411 PolarHBondContact OE1-NE 3.14Å; E408-R411 IonicContact OE1-NH2 2.73Å; E408-R411 IonicContact OE2-CZ 3.9Å; E408-R411 IonicContact OE2-NE 3.61Å; E408-R411 PolarHBondContact OE2-NE 3.23Å; E408-R411 IonicContact OE2-NH2 3.76Å; E408-R411 PolarHBondContact OE2-NH2 3.01Å; E408-L412 WeakPolarHBondContact O-CB 3.27Å; E408-L412 VanDerWaalsContact O-CG 3.32Å; E408-L412 WeakPolarHBondContact O-CG 3.46Å; E408-L412 PolarHBondContact O-N 3.38Å
409	L	89.3	Confident	87.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-47.2	172.5	-80.8	169.4	0	0	0	111.8	I366 F369 L405 L406 R411 L412 N413 F414 T420	I366-L409 HydrophobicContact CD1-CD2 4.47Å; I366-L409 HydrophobicContact CG1-CD2 4.15Å; F369-L409 HydrophobicContact CB-CD1 3.85Å; F369-L409 HydrophobicContact CB-CD2 3.82Å; F369-L409 HydrophobicContact CB-CG 3.98Å; F369-L409 HydrophobicContact CD1-CD1 4.35Å; F369-L409 HydrophobicContact CD1-CD2 3.93Å; F369-L409 HydrophobicContact CD1-CG 3.74Å; F369-L409 HydrophobicContact CD2-CD2 3.38Å; F369-L409 HydrophobicContact CD2-CG 4.15Å; F369-L409 HydrophobicContact CE1-CD2 4.34Å; F369-L409 HydrophobicContact CE1-CG 4.24Å; F369-L409 HydrophobicContact CE2-CD2 3.85Å; F369-L409 HydrophobicContact CG-CD1 4.14Å; F369-L409 HydrophobicContact CG-CD2 3.43Å; F369-L409 VanDerWaalsContact CG-CD2 3.43Å; F369-L409 HydrophobicContact CG-CG 3.69Å; F369-L409 HydrophobicContact CZ-CD2 4.31Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 3.48Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.69Å; L409-R411 VanDerWaalsContact C-N 3.34Å; L409-R411 PolarHBondContact O-N 3.12Å; L409-L412 PolarHBondContact O-N 2.99Å; L409-N413 PolarHBondContact O-N 2.94Å; L409-F414 HydrophobicContact CD2-CB 3.7Å; L409-F414 HydrophobicContact CD2-CD2 4.12Å; L409-F414 HydrophobicContact CD2-CG 4.29Å; L409-F414 PolarHBondContact O-N 2.91Å; L409-T420 HydrophobicContact CD1-CG2 3.64Å
410	K	85.9	Confident	87.3	Confident	86 Å²	86	58.1 Å²	58.1	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-41.9	176.1	-71.3	-174.4	173.7	-165.6	0	111.1	L406 N407 E408 L412 N413 E479	L406-K410 WeakPolarHBondContact O-CG 3.43Å; L406-K410 PolarHBondContact O-N 2.86Å; N407-K410 PolarHBondContact O-N 2.66Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 3.3Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 3.18Å; K410-N413 PolarHBondContact O-N 3.09Å; K410-N413 VanDerWaalsContact O-N 3.17Å; K410-E479 IonicContact NZ-OE1 3.71Å; K410-E479 PolarHBondContact NZ-OE1 3.14Å; K410-E479 IonicContact NZ-OE2 2.98Å
411	R	89.4	Confident	87.6	Confident	168 Å²	168	54.5 Å²	54.5	63%	0.634	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-36.8	176.6	-170.2	179.1	74	93.4	1.2	112.8	N407 E408 L409 N413	N407-R411 WeakPolarHBondContact O-CB 3.48Å; N407-R411 PolarHBondContact O-N 3.05Å; E408-R411 VanDerWaalsContact CD-NE 3.33Å; E408-R411 WeakPolarHBondContact O-CB 3.39Å; E408-R411 PolarHBondContact O-N 2.9Å; E408-R411 IonicContact OE1-CZ 3.04Å; E408-R411 IonicContact OE1-NE 2.69Å; E408-R411 PolarHBondContact OE1-NE 3.14Å; E408-R411 IonicContact OE1-NH2 2.73Å; E408-R411 IonicContact OE2-CZ 3.9Å; E408-R411 IonicContact OE2-NE 3.61Å; E408-R411 PolarHBondContact OE2-NE 3.23Å; E408-R411 IonicContact OE2-NH2 3.76Å; E408-R411 PolarHBondContact OE2-NH2 3.01Å; L409-R411 VanDerWaalsContact C-N 3.34Å; L409-R411 PolarHBondContact O-N 3.12Å; R411-N413 VanDerWaalsContact C-N 3.26Å; R411-N413 PolarHBondContact O-N 2.95Å
412	L	87.7	Confident	87.6	Confident	74 Å²	74	52.8 Å²	52.8	39%	0.387	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.1	178.2	-65.9	173.6	0	0	0	113.6	F369 E408 L409 K410 F414	F369-L412 HydrophobicContact CE2-CD1 4.27Å; F369-L412 HydrophobicContact CZ-CD1 3.68Å; E408-L412 WeakPolarHBondContact O-CB 3.27Å; E408-L412 VanDerWaalsContact O-CG 3.32Å; E408-L412 WeakPolarHBondContact O-CG 3.46Å; E408-L412 PolarHBondContact O-N 3.38Å; L409-L412 PolarHBondContact O-N 2.99Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 3.18Å; L412-F414 HydrophobicContact CB-CD2 3.56Å; L412-F414 HydrophobicContact CB-CE2 3.8Å; L412-F414 HydrophobicContact CB-CG 4.5Å; L412-F414 HydrophobicContact CD1-CD2 4.16Å; L412-F414 HydrophobicContact CD1-CE2 4.02Å; L412-F414 PolarHBondContact O-N 3.4Å
413	N	85.1	Confident	87.7	Confident	149 Å²	149	53.2 Å²	53.2	80%	0.797	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	26.1	-175	-61.2	-53.6	0	0	0	114.1	L409 K410 R411	L409-N413 PolarHBondContact O-N 2.94Å; K410-N413 PolarHBondContact O-N 3.09Å; K410-N413 VanDerWaalsContact O-N 3.17Å; R411-N413 VanDerWaalsContact C-N 3.26Å; R411-N413 PolarHBondContact O-N 2.95Å
414	F	83.7	Confident	87.8	Confident	65 Å²	65	50.2 Å²	50.2	29%	0.285	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-82.3	124.2	168.3	-69.2	-56.7	0	0	0	109.4	I364 F369 L409 L412	I364-F414 VanDerWaalsContact O-CZ 3.28Å; I364-F414 WeakPolarHBondContact O-CZ 3.37Å; F369-F414 HydrophobicContact CE2-CD2 4.36Å; F369-F414 HydrophobicContact CE2-CE2 4.45Å; L409-F414 HydrophobicContact CD2-CB 3.7Å; L409-F414 HydrophobicContact CD2-CD2 4.12Å; L409-F414 HydrophobicContact CD2-CG 4.29Å; L409-F414 PolarHBondContact O-N 2.91Å; L412-F414 HydrophobicContact CB-CD2 3.56Å; L412-F414 HydrophobicContact CB-CE2 3.8Å; L412-F414 HydrophobicContact CB-CG 4.5Å; L412-F414 HydrophobicContact CD1-CD2 4.16Å; L412-F414 HydrophobicContact CD1-CE2 4.02Å; L412-F414 PolarHBondContact O-N 3.4Å
415	K	80.6	Confident	87.8	Confident	137 Å²	137	48.8 Å²	48.8	60%	0.596	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-74.2	121.9	173.5	-70.5	-176.4	179	-178.1	0	108.8	I366 E417	I366-K415 WeakPolarHBondContact CD1-O 3.46Å; K415-E417 PolarHBondContact O-N 2.84Å
416	P	79.4	Confident	87.7	Confident	33 Å²	33	50.2 Å²	50.2	21%	0.214	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-62.2	127.3	179.6	25.4	-32.7	0	0	0	110.5	L406 L421	L406-P416 HydrophobicContact CD1-CB 4.38Å; P416-L421 HydrophobicContact CB-CD2 3.78Å; P416-L421 HydrophobicContact CB-CG 4.06Å; P416-L421 HydrophobicContact CG-CD2 4.24Å
417	E	85	Confident	87.7	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.383	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-77.8	161.3	173.1	-73.9	172.3	174	0	0	110.1	I366 K415 G419 T420 L421	I366-E417 HydrophobicContact CD1-CB 4.28Å; I366-E417 HydrophobicContact CD1-CG 4Å; K415-E417 PolarHBondContact O-N 2.84Å; E417-G419 PolarHBondContact O-N 3.22Å; E417-T420 WeakPolarHBondContact O-CB 3.37Å; E417-T420 PolarHBondContact O-N 2.91Å; E417-T420 VanDerWaalsContact O-N 3.12Å; E417-L421 PolarHBondContact O-N 3Å; E417-L421 VanDerWaalsContact O-N 3.15Å
418	L	86.6	Confident	87.5	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-38.7	-179.7	-70.6	176.7	0	0	0	111	L421 A422 I480 F484 W501 D505 F508 F509 L541	L418-L421 PolarHBondContact O-N 3.33Å; L418-A422 WeakPolarHBondContact O-CB 3.46Å; L418-A422 PolarHBondContact O-N 2.6Å; L418-I480 HydrophobicContact CD2-CD1 3.75Å; L418-I480 HydrophobicContact CD2-CG1 4.2Å; L418-I480 HydrophobicContact CD2-CG2 4.5Å; L418-F484 HydrophobicContact CD1-CZ 4.27Å; L418-W501 HydrophobicContact CD1-CE3 4.34Å; L418-W501 HydrophobicContact CD1-CH2 4.38Å; L418-W501 HydrophobicContact CD1-CZ3 3.71Å; L418-W501 HydrophobicContact CG-CZ3 4.49Å; L418-D505 HydrophobicContact CB-CB 4.02Å; L418-D505 WeakPolarHBondContact CB-OD1 3.46Å; L418-D505 PolarHBondContact N-OD1 2.89Å; L418-F508 HydrophobicContact CB-CB 4.09Å; L418-F508 HydrophobicContact CB-CG 4.39Å; L418-F508 HydrophobicContact CD2-CB 4.48Å; L418-F508 HydrophobicContact CD2-CD1 3.89Å; L418-F508 HydrophobicContact CD2-CD2 4.41Å; L418-F508 HydrophobicContact CD2-CE1 4.25Å; L418-F508 HydrophobicContact CD2-CG 3.98Å; L418-F509 HydrophobicContact CD1-CE2 4.5Å; L418-L541 HydrophobicContact CD1-CD2 4.5Å
419	G	85.4	Confident	87.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-36.9	178.1	0	0	0	0	0	113.7	E417 L421 A422 N423 D504 D505	E417-G419 PolarHBondContact O-N 3.22Å; G419-L421 VanDerWaalsContact C-N 3.33Å; G419-L421 PolarHBondContact O-N 2.78Å; G419-A422 PolarHBondContact O-N 2.77Å; G419-N423 VanDerWaalsContact O-CG 3.3Å; G419-N423 PolarHBondContact O-N 3.06Å; G419-N423 PolarHBondContact O-ND2 2.9Å; G419-D504 WeakPolarHBondContact CA-O 3.36Å; G419-D505 PolarHBondContact N-OD1 3.28Å
420	T	90.2	Very high	86.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-45.6	173.2	-45.1	0	0	0	0	110.6	T370 L373 L409 E417 N423 L424	T370-T420 PolarHBondContact OG1-OG1 3.45Å; L373-T420 HydrophobicContact CD1-CG2 3.63Å; L409-T420 HydrophobicContact CD1-CG2 3.64Å; E417-T420 WeakPolarHBondContact O-CB 3.37Å; E417-T420 PolarHBondContact O-N 2.91Å; E417-T420 VanDerWaalsContact O-N 3.12Å; T420-N423 PolarHBondContact O-N 3.16Å; T420-L424 PolarHBondContact O-N 3.39Å; T420-L424 VanDerWaalsContact O-N 3.13Å
421	L	91.5	Very high	86.4	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-37.6	178.4	-60.7	179.7	0	0	0	111.8	L406 P416 E417 L418 G419 L424 L425 L476 I480 F508	L406-L421 HydrophobicContact CD1-CD2 4.21Å; P416-L421 HydrophobicContact CB-CD2 3.78Å; P416-L421 HydrophobicContact CB-CG 4.06Å; P416-L421 HydrophobicContact CG-CD2 4.24Å; E417-L421 PolarHBondContact O-N 3Å; E417-L421 VanDerWaalsContact O-N 3.15Å; L418-L421 PolarHBondContact O-N 3.33Å; G419-L421 VanDerWaalsContact C-N 3.33Å; G419-L421 PolarHBondContact O-N 2.78Å; L421-L424 PolarHBondContact O-N 2.92Å; L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 3.32Å; L421-L476 HydrophobicContact CD1-CD2 4.2Å; L421-L476 HydrophobicContact CD2-CD1 4.04Å; L421-L476 HydrophobicContact CD2-CD2 3.59Å; L421-L476 HydrophobicContact CD2-CG 4.41Å; L421-I480 HydrophobicContact CD1-CD1 3.96Å; L421-I480 HydrophobicContact CD1-CG1 4.38Å; L421-F508 HydrophobicContact CB-CD2 3.77Å; L421-F508 HydrophobicContact CB-CE2 3.64Å; L421-F508 HydrophobicContact CD1-CE2 4.2Å
422	A	89.9	Confident	85.3	Confident	1 Å²	1	33 Å²	33	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176.3	0	0	0	0	0	111.1	L418 G419 L424 L425 F426 D504 M507 F508 I511	L418-A422 WeakPolarHBondContact O-CB 3.46Å; L418-A422 PolarHBondContact O-N 2.6Å; G419-A422 PolarHBondContact O-N 2.77Å; A422-L424 VanDerWaalsContact C-N 3.33Å; A422-L424 PolarHBondContact O-N 2.92Å; A422-L425 PolarHBondContact O-N 3.06Å; A422-F426 VanDerWaalsContact O-CB 3.31Å; A422-F426 WeakPolarHBondContact O-CB 3.49Å; A422-F426 PolarHBondContact O-N 3.46Å; A422-D504 WeakPolarHBondContact CB-O 3.39Å; A422-M507 HydrophobicContact CB-CB 4.34Å; A422-F508 HydrophobicContact CB-CB 4.01Å; A422-F508 HydrophobicContact CB-CD2 4.44Å; A422-I511 HydrophobicContact CB-CG2 4.24Å
423	N	91.2	Very high	84.2	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-34.9	179.4	-67.7	-25	0	0	0	112.1	T370 L373 G419 T420 L427 D504	T370-N423 WeakPolarHBondContact CG2-ND2 3.47Å; T370-N423 PolarHBondContact O-ND2 3.13Å; T370-N423 VanDerWaalsContact O-ND2 3.11Å; L373-N423 HydrophobicContact CB-CB 3.76Å; G419-N423 VanDerWaalsContact O-CG 3.3Å; G419-N423 PolarHBondContact O-N 3.06Å; G419-N423 PolarHBondContact O-ND2 2.9Å; T420-N423 PolarHBondContact O-N 3.16Å; N423-L427 WeakPolarHBondContact O-CB 3.31Å; N423-L427 PolarHBondContact O-N 3.38Å; N423-D504 PolarHBondContact ND2-OD2 3.11Å; N423-D504 VanDerWaalsContact ND2-OD2 3.13Å
424	L	92.6	Very high	82.8	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-47	172.7	179.7	65.5	0	0	0	112	L373 L403 L406 T420 L421 A422 F426 L427 I428	L373-L424 HydrophobicContact CD1-CB 4.3Å; L373-L424 HydrophobicContact CD2-CD1 4.07Å; L403-L424 HydrophobicContact CD2-CD1 4.4Å; L403-L424 HydrophobicContact CD2-CD2 4.43Å; L406-L424 HydrophobicContact CB-CD2 4.3Å; L406-L424 HydrophobicContact CD2-CD2 3.79Å; L406-L424 HydrophobicContact CG-CD2 4.46Å; T420-L424 PolarHBondContact O-N 3.39Å; T420-L424 VanDerWaalsContact O-N 3.13Å; L421-L424 PolarHBondContact O-N 2.92Å; A422-L424 VanDerWaalsContact C-N 3.33Å; A422-L424 PolarHBondContact O-N 2.92Å; L424-F426 VanDerWaalsContact C-N 3.29Å; L424-F426 PolarHBondContact O-N 3.39Å; L424-L427 WeakPolarHBondContact O-CB 3.47Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-I428 HydrophobicContact CD1-CD1 4.31Å; L424-I428 HydrophobicContact CG-CD1 4.09Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.19Å; L424-I428 PolarHBondContact O-N 3.32Å
425	L	90.4	Very high	81	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-39.1	176.7	-69.2	171.7	0	0	0	111.1	L421 A422 I428 N429 L473 F508 I511 A512	L421-L425 VanDerWaalsContact O-CG 3.31Å; L421-L425 WeakPolarHBondContact O-CG 3.23Å; L421-L425 PolarHBondContact O-N 3.32Å; A422-L425 PolarHBondContact O-N 3.06Å; L425-I428 PolarHBondContact O-N 3.47Å; L425-N429 VanDerWaalsContact O-CB 3.28Å; L425-N429 WeakPolarHBondContact O-CB 3.3Å; L425-N429 PolarHBondContact O-N 3.11Å; L425-L473 HydrophobicContact CD1-CD1 3.75Å; L425-L473 HydrophobicContact CD2-CB 4.45Å; L425-L473 HydrophobicContact CD2-CD1 4.18Å; L425-F508 HydrophobicContact CD1-CD2 4.19Å; L425-F508 HydrophobicContact CD1-CE2 3.75Å; L425-F508 HydrophobicContact CD1-CZ 4.47Å; L425-I511 HydrophobicContact CB-CG1 4.11Å; L425-I511 HydrophobicContact CB-CG2 3.89Å; L425-I511 HydrophobicContact CD1-CG2 4.13Å; L425-A512 HydrophobicContact CD1-CB 4.25Å
426	F	88.7	Confident	79	Confident	47 Å²	47	28.5 Å²	28.5	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-44.1	175.8	-174.1	-130.9	0	0	0	111.4	A377 H378 A381 A422 L424 I428 N429 E430 I511	A377-F426 HydrophobicContact CB-CB 4.3Å; A377-F426 HydrophobicContact CB-CD1 3.4Å; A377-F426 VanDerWaalsContact CB-CD1 3.4Å; A377-F426 HydrophobicContact CB-CE1 4.04Å; A377-F426 HydrophobicContact CB-CG 4.16Å; H378-F426 AromaticContact CD2-CE1 3.96Å; H378-F426 AromaticContact NE2-CE1 3.84Å; A381-F426 HydrophobicContact CB-CZ 4.19Å; A422-F426 VanDerWaalsContact O-CB 3.31Å; A422-F426 WeakPolarHBondContact O-CB 3.49Å; A422-F426 PolarHBondContact O-N 3.46Å; L424-F426 VanDerWaalsContact C-N 3.29Å; L424-F426 PolarHBondContact O-N 3.39Å; F426-I428 PolarHBondContact O-N 2.88Å; F426-N429 PolarHBondContact O-N 3.48Å; F426-E430 HydrophobicContact CD2-CG 3.63Å; F426-E430 HydrophobicContact CE1-CG 4.5Å; F426-E430 HydrophobicContact CE2-CG 3.25Å; F426-E430 HydrophobicContact CG-CG 4.4Å; F426-E430 HydrophobicContact CZ-CG 3.73Å; F426-E430 WeakPolarHBondContact O-CB 3.49Å; F426-E430 WeakPolarHBondContact O-CG 3.33Å; F426-E430 PolarHBondContact O-N 3.27Å; F426-I511 HydrophobicContact CB-CD1 4.34Å; F426-I511 HydrophobicContact CB-CG1 4.12Å; F426-I511 HydrophobicContact CD2-CD1 3.82Å
427	L	89	Confident	76.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-48.3	173.5	174.2	61.2	0	0	0	112.1	L373 L376 A377 S380 V399 N423 L424 N429 E430 T431	L373-L427 HydrophobicContact CD2-CD2 4.37Å; L376-L427 HydrophobicContact CB-CD1 4.19Å; L376-L427 HydrophobicContact CB-CD2 4.27Å; A377-L427 HydrophobicContact CB-CB 3.83Å; S380-L427 VanDerWaalsContact OG-CD1 3.26Å; S380-L427 WeakPolarHBondContact OG-CD1 3.46Å; V399-L427 HydrophobicContact CG2-CG 4.42Å; N423-L427 WeakPolarHBondContact O-CB 3.31Å; N423-L427 PolarHBondContact O-N 3.38Å; L424-L427 WeakPolarHBondContact O-CB 3.47Å; L424-L427 PolarHBondContact O-N 3.12Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 2.94Å; L427-E430 PolarHBondContact O-N 2.64Å; L427-T431 WeakPolarHBondContact O-CB 3.07Å; L427-T431 PolarHBondContact O-N 3.19Å; L427-T431 PolarHBondContact O-OG1 2.61Å
428	I	86.7	Confident	74.5	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-41.4	179.7	-65	166.4	0	0	0	111.1	V399 L403 L424 L425 F426 C469 L472	V399-I428 HydrophobicContact CG1-CG1 3.92Å; V399-I428 HydrophobicContact CG2-CG1 4.49Å; L403-I428 HydrophobicContact CD2-CD1 4.49Å; L424-I428 HydrophobicContact CD1-CD1 4.31Å; L424-I428 HydrophobicContact CG-CD1 4.09Å; L424-I428 VanDerWaalsContact O-CG1 3.3Å; L424-I428 WeakPolarHBondContact O-CG1 3.19Å; L424-I428 PolarHBondContact O-N 3.32Å; L425-I428 PolarHBondContact O-N 3.47Å; F426-I428 PolarHBondContact O-N 2.88Å; I428-C469 HydrophobicContact CG2-CB 3.91Å; I428-L472 HydrophobicContact CD1-CD2 3.69Å
429	N	83.6	Confident	71.9	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-37	-178.7	-174	69.3	0	0	0	113.1	L425 F426 L427 I511 N518	L425-N429 VanDerWaalsContact O-CB 3.28Å; L425-N429 WeakPolarHBondContact O-CB 3.3Å; L425-N429 PolarHBondContact O-N 3.11Å; F426-N429 PolarHBondContact O-N 3.48Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 2.94Å; N429-I511 HydrophobicContact CB-CD1 4.28Å; N429-N518 PolarHBondContact OD1-ND2 3.06Å
430	E	81.2	Confident	69.3	Low	4 Å²	4	46.2 Å²	46.2	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-88.1	-17.3	-177.5	-64.1	-50.6	141.1	0	0	114.1	A381 K384 F426 L427 P432	A381-E430 HydrophobicContact CB-CB 4.14Å; A381-E430 HydrophobicContact CB-CG 4.05Å; K384-E430 WeakPolarHBondContact CD-O 3.26Å; K384-E430 WeakPolarHBondContact CD-OE2 3.34Å; K384-E430 IonicContact NZ-OE2 2.66Å; K384-E430 PolarHBondContact NZ-OE2 3.19Å; F426-E430 HydrophobicContact CD2-CG 3.63Å; F426-E430 HydrophobicContact CE1-CG 4.5Å; F426-E430 HydrophobicContact CE2-CG 3.25Å; F426-E430 HydrophobicContact CG-CG 4.4Å; F426-E430 HydrophobicContact CZ-CG 3.73Å; F426-E430 WeakPolarHBondContact O-CB 3.49Å; F426-E430 WeakPolarHBondContact O-CG 3.33Å; F426-E430 PolarHBondContact O-N 3.27Å; L427-E430 PolarHBondContact O-N 2.64Å; E430-P432 WeakPolarHBondContact O-CD 3.4Å
431	T	76.4	Confident	66.7	Low	9 Å²	9	49.6 Å²	49.6	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-76.7	120.3	176.1	-51.6	0	0	0	0	110	V399 L427 A433 Y467	V399-T431 HydrophobicContact CG2-CG2 3.95Å; V399-T431 WeakPolarHBondContact CG2-OG1 3.38Å; L427-T431 WeakPolarHBondContact O-CB 3.07Å; L427-T431 PolarHBondContact O-N 3.19Å; L427-T431 PolarHBondContact O-OG1 2.61Å; T431-A433 PolarHBondContact O-N 2.76Å; T431-Y467 HydrophobicContact CG2-CE2 4.07Å
432	P	67.1	Low	63.9	Low	47 Å²	47	55.4 Å²	55.4	31%	0.305	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-63.1	130.6	175.3	25.1	-31.8	0	0	0	109.9	E430	E430-P432 WeakPolarHBondContact O-CD 3.4Å
433	A	64.8	Low	61.5	Low	20 Å²	20	60.7 Å²	60.7	17%	0.165	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70.3	137.5	173.5	0	0	0	0	0	109.2	T431 L435 S465 Y467	T431-A433 PolarHBondContact O-N 2.76Å; A433-L435 PolarHBondContact O-N 2.92Å; A433-S465 WeakPolarHBondContact CB-O 3.45Å; A433-S465 PolarHBondContact N-O 3.04Å; A433-Y467 HydrophobicContact CB-CD2 4.37Å; A433-Y467 HydrophobicContact CB-CE2 4.29Å
434	P	55	Low	59.2	Low	88 Å²	88	63.9 Å²	63.9	57%	0.571	36%	0.36	S	S	*	.			trans	-61.6	113	171.1	24.8	-30.8	0	0	0	107.8	N436 Y467	P434-N436 VanDerWaalsContact C-N 3.26Å; P434-N436 PolarHBondContact O-N 3.06Å; P434-Y467 WeakPolarHBondContact CD-OH 3.45Å
435	L	46	Very low	56.3	Low	114 Å²	114	71.4 Å²	71.4	60%	0.597	39%	0.389	S	S	*	.			trans	-63.2	91	171	-90.5	148	0	0	0	108.1	A433 R437	A433-L435 PolarHBondContact O-N 2.92Å; L435-R437 VanDerWaalsContact C-N 3.33Å; L435-R437 PolarHBondContact O-N 2.88Å
436	N	38.2	Very low	53.6	Low	110 Å²	110	74.3 Å²	74.3	59%	0.588	41%	0.409	S	S	*	.			trans	-59.7	102.4	163.7	-84.1	-19.4	0	0	0	106.9	P434 S438 S439	P434-N436 VanDerWaalsContact C-N 3.26Å; P434-N436 PolarHBondContact O-N 3.06Å; N436-S438 PolarHBondContact O-N 3.47Å; N436-S439 PolarHBondContact O-N 3.46Å
437	R	36.4	Very low	51.3	Low	244 Å²	244	76.3 Å²	76.3	92%	0.921	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-5.5	178.5	-86.8	-178	172.2	-179	-1.5	113.9	L435	L435-R437 VanDerWaalsContact C-N 3.33Å; L435-R437 PolarHBondContact O-N 2.88Å
438	S	34.7	Very low	49.1	Very low	108 Å²	108	79.7 Å²	79.7	76%	0.755	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.6	-172.3	41.7	0	0	0	0	115.7	N436	N436-S438 PolarHBondContact O-N 3.47Å
439	S	30.4	Very low	46.7	Very low	91 Å²	91	84.3 Å²	84.3	64%	0.636	46%	0.462	S	S	*	.			trans	-145.6	41.8	-174.7	34.8	0	0	0	0	114.6	N436 S441	N436-S439 PolarHBondContact O-N 3.46Å; S439-S441 PolarHBondContact O-N 3Å
440	T	30.8	Very low	44.6	Very low	59 Å²	59	92 Å²	92	36%	0.362	50%	0.496	S	S	.	.			trans	-77.7	106.8	157.7	22.8	0	0	0	0	108.4	T442	T440-T442 PolarHBondContact O-N 2.87Å
441	S	35.4	Very low	42.7	Very low	71 Å²	71	98.8 Å²	98.8	50%	0.497	53%	0.527	S	S	.	.			trans	-51.4	136.2	160.2	62.9	0	0	0	0	107.8	S439 I443 T444	S439-S441 PolarHBondContact O-N 3Å; S441-I443 PolarHBondContact O-N 2.93Å; S441-T444 PolarHBondContact O-N 3.14Å; S441-T444 PolarHBondContact O-OG1 3.29Å
442	T	34.3	Very low	41	Very low	126 Å²	126	104.6 Å²	104.6	77%	0.773	56%	0.558	S	S	*	*	H	α-helix	trans	-57	-8	-173.1	-21.8	0	0	0	0	113.7	T440	T440-T442 PolarHBondContact O-N 2.87Å
443	I	39.7	Very low	39.6	Very low	113 Å²	113	108.8 Å²	108.8	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-79.6	-46.1	-175.4	-57	176.7	0	0	0	110.8	S441 S446 M447	S441-I443 PolarHBondContact O-N 2.93Å; I443-S446 PolarHBondContact O-N 3.38Å; I443-S446 PolarHBondContact O-OG 2.94Å; I443-M447 PolarHBondContact O-N 2.59Å
444	T	42.1	Very low	38.2	Very low	75 Å²	75	114 Å²	114	46%	0.46	60%	0.603	S	S	.	*	H	α-helix	trans	-70.3	-37.1	-178.7	2.4	0	0	0	0	112.3	S441 S446 M447 I448	S441-T444 PolarHBondContact O-N 3.14Å; S441-T444 PolarHBondContact O-OG1 3.29Å; T444-S446 VanDerWaalsContact C-N 3.28Å; T444-S446 PolarHBondContact O-N 3.46Å; T444-M447 PolarHBondContact O-N 3.08Å; T444-I448 WeakPolarHBondContact O-CD1 3.31Å; T444-I448 VanDerWaalsContact O-CG1 3.29Å; T444-I448 WeakPolarHBondContact O-CG1 3.44Å; T444-I448 PolarHBondContact O-N 3.35Å
445	R	32.1	Very low	37.1	Very low	159 Å²	159	116.8 Å²	116.8	60%	0.6	61%	0.613	S	S	*	*	H	α-helix	trans	-67.7	-27.5	178.4	-140.3	173.8	-165.7	160.8	1.1	113	N449	R445-N449 PolarHBondContact O-N 3.49Å
446	S	32.9	Very low	36.2	Very low	61 Å²	61	119.3 Å²	119.3	43%	0.427	63%	0.627	S	S	.	*	H	α-helix	trans	-80.1	-25.2	178.6	81.5	0	0	0	0	113.8	I443 T444	I443-S446 PolarHBondContact O-N 3.38Å; I443-S446 PolarHBondContact O-OG 2.94Å; T444-S446 VanDerWaalsContact C-N 3.28Å; T444-S446 PolarHBondContact O-N 3.46Å
447	M	39.7	Very low	35.8	Very low	89 Å²	89	121.9 Å²	121.9	44%	0.438	64%	0.64	S	S	.	*	H	α-helix	trans	-79.8	-41.6	175.7	-69.1	-164.9	173.5	0	0	111	I443 T444 N449 K450 Q451 E564	I443-M447 PolarHBondContact O-N 2.59Å; T444-M447 PolarHBondContact O-N 3.08Å; M447-N449 PolarHBondContact O-N 2.86Å; M447-K450 PolarHBondContact O-N 3.07Å; M447-Q451 PolarHBondContact O-N 3.13Å; M447-E564 HydrophobicContact CE-CG 4.22Å
448	I	43.4	Very low	35.4	Very low	72 Å²	72	116.3 Å²	116.3	37%	0.369	63%	0.633	S	S	.	*	H	α-helix	trans	-64.2	-40.7	178.5	-63.5	164.7	0	0	0	111.6	T444 K450	T444-I448 WeakPolarHBondContact O-CD1 3.31Å; T444-I448 VanDerWaalsContact O-CG1 3.29Å; T444-I448 WeakPolarHBondContact O-CG1 3.44Å; T444-I448 PolarHBondContact O-N 3.35Å; I448-K450 PolarHBondContact O-N 3.25Å
449	N	36.2	Very low	35	Very low	103 Å²	103	117.7 Å²	117.7	55%	0.551	63%	0.631	S	S	*	*	H	α-helix	trans	-79.3	-13	-178.5	-75.3	-5.5	0	0	0	114.6	R445 M447	R445-N449 PolarHBondContact O-N 3.49Å; M447-N449 PolarHBondContact O-N 2.86Å
450	K	40	Very low	34.9	Very low	170 Å²	170	120.6 Å²	120.6	74%	0.739	64%	0.64	S	S	*	*	H	α-helix	trans	-92.1	-20.3	178.4	-87.5	-178.1	175.5	177.1	0	113.8	M447 I448	M447-K450 PolarHBondContact O-N 3.07Å; I448-K450 PolarHBondContact O-N 3.25Å
451	Q	42.1	Very low	35.1	Very low	146 Å²	146	123.5 Å²	123.5	68%	0.682	65%	0.649	S	S	*	*	H	α-helix	trans	-80.9	-28.7	176	-87.9	169.9	-67.9	0	0	113.3	M447 N453	M447-Q451 PolarHBondContact O-N 3.13Å; Q451-N453 VanDerWaalsContact C-N 3.34Å; Q451-N453 PolarHBondContact O-N 3.49Å
452	N	39.2	Very low	35.1	Very low	131 Å²	131	125 Å²	125	70%	0.701	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-10.1	-177.3	-77.9	-10.7	0	0	0	115.6
453	N	38.2	Very low	35.4	Very low	135 Å²	135	125.2 Å²	125.2	72%	0.722	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-1.1	-172.1	-82.5	0	0	0	0	115.4	Q451	Q451-N453 VanDerWaalsContact C-N 3.34Å; Q451-N453 PolarHBondContact O-N 3.49Å
454	N	35.7	Very low	35.7	Very low	129 Å²	129	125.1 Å²	125.1	69%	0.69	65%	0.645	S	S	*	*	S	Bend	trans	-135.2	103.1	179.6	-77.9	-25.4	0	0	0	111.9
455	N	31.9	Very low	36.1	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	64%	0.642	S	S	*	*			trans	75.3	101.3	152.9	-55.4	-13.1	0	0	0	118.1	L457	N455-L457 PolarHBondContact O-N 2.85Å; N455-L457 VanDerWaalsContact O-N 3.14Å
456	N	27.3	Very low	37.5	Very low	167 Å²	167	118.3 Å²	118.3	89%	0.893	63%	0.625	S	S	*	*			trans	14.4	85.1	135.1	-63.2	-9.9	0	0	0	116
457	L	29.4	Very low	39.4	Very low	164 Å²	164	118.3 Å²	118.3	86%	0.859	62%	0.616	S	S	*	*			trans	-145.8	131	146.9	-114.5	118.9	0	0	0	109	N455	N455-L457 PolarHBondContact O-N 2.85Å; N455-L457 VanDerWaalsContact O-N 3.14Å
458	V	28.2	Very low	41.3	Very low	127 Å²	127	119.8 Å²	119.8	77%	0.77	63%	0.631	S	S	*	*			trans	-70.8	133.1	-164.2	169.3	0	0	0	0	111.1
459	N	25.7	Very low	43.3	Very low	136 Å²	136	116.8 Å²	116.8	73%	0.727	62%	0.616	S	S	*	*			trans	66.3	55.2	159.7	-63.2	-9.9	0	0	0	119.7
460	D	28.9	Very low	45.7	Very low	153 Å²	153	112.5 Å²	112.5	82%	0.818	59%	0.594	S	S	*	*			trans	-87.1	115.8	149.5	-93.3	-24.6	0	0	0	108.7	T462	D460-T462 PolarHBondContact O-N 3.07Å
461	H	35	Very low	48	Very low	119 Å²	119	110.8 Å²	110.8	55%	0.551	59%	0.593	S	S	*	*			trans	-54.2	131.3	-177.5	-68.7	-70.6	0	0	0	111.8	D463	H461-D463 PolarHBondContact O-N 3.24Å; H461-D463 VanDerWaalsContact O-N 3.16Å
462	T	36.2	Very low	50.2	Low	103 Å²	103	105.7 Å²	105.7	63%	0.632	57%	0.57	S	S	*	*			trans	-39.3	116.2	175.1	48.8	0	0	0	0	112.5	D460 Y464	D460-T462 PolarHBondContact O-N 3.07Å; T462-Y464 WeakPolarHBondContact O-CD2 3.31Å; T462-Y464 PolarHBondContact O-N 3.49Å; T462-Y464 WeakPolarHBondContact OG1-CE2 3.33Å
463	D	39.7	Very low	52.6	Low	130 Å²	130	99.4 Å²	99.4	70%	0.695	54%	0.536	S	S	*	.			trans	-56.5	88.4	174.9	-81.2	-33.7	0	0	0	111.5	H461	H461-D463 PolarHBondContact O-N 3.24Å; H461-D463 VanDerWaalsContact O-N 3.16Å
464	Y	45.3	Very low	55.1	Low	111 Å²	111	96.1 Å²	96.1	44%	0.435	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-84.9	126	157.7	-68.6	-78.6	0	0	0	107.9	M387 T462 S466	M387-Y464 WeakPolarHBondContact CE-OH 3.31Å; T462-Y464 WeakPolarHBondContact O-CD2 3.31Å; T462-Y464 PolarHBondContact O-N 3.49Å; T462-Y464 WeakPolarHBondContact OG1-CE2 3.33Å; Y464-S466 PolarHBondContact O-N 3.37Å; Y464-S466 VanDerWaalsContact O-N 3.1Å
465	S	52	Low	57.6	Low	58 Å²	58	95.5 Å²	95.5	41%	0.406	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-59	116.6	170.8	52.7	0	0	0	0	109.1	A433	A433-S465 WeakPolarHBondContact CB-O 3.45Å; A433-S465 PolarHBondContact N-O 3.04Å
466	S	61.3	Low	60.3	Low	34 Å²	34	88.6 Å²	88.6	24%	0.238	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-80	163.8	167.3	54.5	0	0	0	0	110.2	Y464	Y464-S466 PolarHBondContact O-N 3.37Å; Y464-S466 VanDerWaalsContact O-N 3.1Å
467	Y	72.1	Confident	63.3	Low	60 Å²	60	80.6 Å²	80.6	24%	0.235	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-62.5	137.3	169.3	-74.4	-83.7	0	0	0	110.3	N397 V399 T431 A433 P434	N397-Y467 PolarHBondContact ND2-OH 3.11Å; V399-Y467 HydrophobicContact CG2-CD2 4.08Å; V399-Y467 HydrophobicContact CG2-CE2 4.05Å; T431-Y467 HydrophobicContact CG2-CE2 4.07Å; A433-Y467 HydrophobicContact CB-CD2 4.37Å; A433-Y467 HydrophobicContact CB-CE2 4.29Å; P434-Y467 WeakPolarHBondContact CD-OH 3.45Å
468	T	80.1	Confident	66.1	Low	121 Å²	121	76.1 Å²	76.1	74%	0.742	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-75.9	127.5	169.8	56.3	0	0	0	0	109.5	E519	T468-E519 HydrophobicContact CG2-CG 4.4Å
469	C	85.7	Confident	68.7	Low	8 Å²	8	73.9 Å²	73.9	5%	0.054	39%	0.39	C	S	.	.			trans	-126.5	1.3	-175.6	74.7	0	0	0	0	113.1	I428 N471 L472 L473 E519	I428-C469 HydrophobicContact CG2-CB 3.91Å; C469-N471 PolarHBondContact O-N 3.39Å; C469-N471 VanDerWaalsContact O-N 3.09Å; C469-L472 PolarHBondContact O-N 3.44Å; C469-L473 WeakPolarHBondContact O-CB 3.41Å; C469-L473 PolarHBondContact O-N 2.86Å; C469-E519 PolarHBondContact N-OE1 3.47Å; C469-E519 PolarHBondContact SG-OE1 3.26Å
470	S	86	Confident	71.5	Confident	14 Å²	14	67.9 Å²	67.9	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-46.8	-42.5	-179.2	-79.6	0	0	0	0	114.5	N474 E519 N521	S470-N474 WeakPolarHBondContact O-CB 3.31Å; S470-N474 PolarHBondContact O-N 3.34Å; S470-E519 WeakPolarHBondContact CB-OE2 3.45Å; S470-E519 PolarHBondContact N-OE1 3.03Å; S470-E519 PolarHBondContact N-OE2 2.95Å; S470-E519 PolarHBondContact OG-OE2 3.09Å; S470-N521 WeakPolarHBondContact CB-ND2 3.39Å; S470-N521 PolarHBondContact OG-ND2 3.27Å
471	N	87.7	Confident	74.1	Confident	133 Å²	133	63.9 Å²	63.9	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-67.6	-48.6	-179.5	-70.7	-16.3	0	0	0	111.5	C469 L473 N474 E475	C469-N471 PolarHBondContact O-N 3.39Å; C469-N471 VanDerWaalsContact O-N 3.09Å; N471-L473 PolarHBondContact O-N 2.84Å; N471-N474 PolarHBondContact O-N 3.43Å; N471-E475 WeakPolarHBondContact O-CG 3.45Å; N471-E475 PolarHBondContact O-N 3.41Å
472	L	87.9	Confident	76.3	Confident	39 Å²	39	63.1 Å²	63.1	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-47.2	175.8	177.3	67.1	0	0	0	110.6	L403 I428 C469 N474 E475 L476	L403-L472 HydrophobicContact CD2-CD2 3.84Å; I428-L472 HydrophobicContact CD1-CD2 3.69Å; C469-L472 PolarHBondContact O-N 3.44Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 3.38Å; L472-E475 WeakPolarHBondContact O-CB 3.39Å; L472-E475 PolarHBondContact O-N 3.35Å; L472-L476 HydrophobicContact CD1-CD1 4.43Å; L472-L476 HydrophobicContact CD1-CG 4.43Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.47Å; L472-L476 VanDerWaalsContact O-CG 3.29Å; L472-L476 WeakPolarHBondContact O-CG 3.35Å; L472-L476 PolarHBondContact O-N 3.42Å
473	L	89.6	Confident	78.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-41.2	178.4	-178.4	52.4	0	0	0	111.1	L425 C469 N471 E475 L476 L477 F508 A512 C515 L524 I528	L425-L473 HydrophobicContact CD1-CD1 3.75Å; L425-L473 HydrophobicContact CD2-CB 4.45Å; L425-L473 HydrophobicContact CD2-CD1 4.18Å; C469-L473 WeakPolarHBondContact O-CB 3.41Å; C469-L473 PolarHBondContact O-N 2.86Å; N471-L473 PolarHBondContact O-N 2.84Å; L473-E475 PolarHBondContact O-N 3.49Å; L473-L476 PolarHBondContact O-N 3.35Å; L473-L477 HydrophobicContact CD1-CD1 4.18Å; L473-L477 HydrophobicContact CD1-CD2 4.44Å; L473-L477 HydrophobicContact CD1-CG 4.03Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.38Å; L473-L477 WeakPolarHBondContact O-CB 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.26Å; L473-L477 PolarHBondContact O-N 3.05Å; L473-F508 HydrophobicContact CD1-CZ 4.4Å; L473-A512 HydrophobicContact CD1-CB 3.93Å; L473-A512 HydrophobicContact CD2-CB 4.02Å; L473-C515 HydrophobicContact CD2-CB 4.1Å; L473-L524 HydrophobicContact CB-CD2 4.27Å; L473-L524 HydrophobicContact CD2-CD2 3.81Å; L473-L524 HydrophobicContact CD2-CG 4.31Å; L473-L524 HydrophobicContact CG-CD1 4.29Å; L473-L524 HydrophobicContact CG-CD2 4.12Å; L473-L524 HydrophobicContact CG-CG 4.46Å; L473-I528 HydrophobicContact CD2-CD1 4.19Å
474	N	90.6	Very high	79.9	Confident	65 Å²	65	56.5 Å²	56.5	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-39.9	176.9	-172.8	47.1	0	0	0	112.6	S470 N471 L472 L477 N478 L524 K527	S470-N474 WeakPolarHBondContact O-CB 3.31Å; S470-N474 PolarHBondContact O-N 3.34Å; N471-N474 PolarHBondContact O-N 3.43Å; L472-N474 VanDerWaalsContact C-N 3.32Å; L472-N474 PolarHBondContact O-N 3.38Å; N474-L477 PolarHBondContact O-N 3.12Å; N474-N478 PolarHBondContact O-N 3.37Å; N474-N478 PolarHBondContact O-ND2 3.13Å; N474-L524 HydrophobicContact CB-CD1 4.04Å; N474-K527 PolarHBondContact O-NZ 3.09Å; N474-K527 PolarHBondContact OD1-NZ 2.99Å
475	E	89.4	Confident	81.1	Confident	116 Å²	116	54.3 Å²	54.3	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-48.6	172.9	-73.2	178.4	-178	0	0	111.6	N471 L472 L473 L477 N478 E479	N471-E475 WeakPolarHBondContact O-CG 3.45Å; N471-E475 PolarHBondContact O-N 3.41Å; L472-E475 WeakPolarHBondContact O-CB 3.39Å; L472-E475 PolarHBondContact O-N 3.35Å; L473-E475 PolarHBondContact O-N 3.49Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 2.82Å; E475-N478 WeakPolarHBondContact O-CB 3.43Å; E475-N478 PolarHBondContact O-N 3.2Å; E475-N478 VanDerWaalsContact O-N 3.11Å; E475-E479 PolarHBondContact O-N 2.99Å
476	L	88.8	Confident	81.6	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-41.4	176.6	-68.9	175	0	0	0	111.9	L421 L472 L473 N478 E479 I480	L421-L476 HydrophobicContact CD1-CD2 4.2Å; L421-L476 HydrophobicContact CD2-CD1 4.04Å; L421-L476 HydrophobicContact CD2-CD2 3.59Å; L421-L476 HydrophobicContact CD2-CG 4.41Å; L472-L476 HydrophobicContact CD1-CD1 4.43Å; L472-L476 HydrophobicContact CD1-CG 4.43Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.47Å; L472-L476 VanDerWaalsContact O-CG 3.29Å; L472-L476 WeakPolarHBondContact O-CG 3.35Å; L472-L476 PolarHBondContact O-N 3.42Å; L473-L476 PolarHBondContact O-N 3.35Å; L476-N478 VanDerWaalsContact C-N 3.33Å; L476-N478 PolarHBondContact O-N 3.12Å; L476-E479 PolarHBondContact O-N 3.32Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.42Å; L476-I480 PolarHBondContact O-N 2.66Å
477	L	89.5	Confident	81.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-34.3	176.3	-68.3	169.8	0	0	0	112.2	L473 N474 E475 I480 E481 F508 L524 K527 I528 L531	L473-L477 HydrophobicContact CD1-CD1 4.18Å; L473-L477 HydrophobicContact CD1-CD2 4.44Å; L473-L477 HydrophobicContact CD1-CG 4.03Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.38Å; L473-L477 WeakPolarHBondContact O-CB 3.29Å; L473-L477 WeakPolarHBondContact O-CG 3.26Å; L473-L477 PolarHBondContact O-N 3.05Å; N474-L477 PolarHBondContact O-N 3.12Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 2.82Å; L477-I480 PolarHBondContact O-N 3.3Å; L477-E481 VanDerWaalsContact O-CB 3.23Å; L477-E481 WeakPolarHBondContact O-CB 3.29Å; L477-E481 PolarHBondContact O-N 2.95Å; L477-F508 HydrophobicContact CD2-CE1 3.97Å; L477-F508 HydrophobicContact CD2-CZ 4.04Å; L477-L524 HydrophobicContact CD1-CD1 3.59Å; L477-K527 HydrophobicContact CB-CD 4.27Å; L477-K527 HydrophobicContact CD1-CD 4.26Å; L477-I528 HydrophobicContact CD1-CD1 4.33Å; L477-I528 HydrophobicContact CD1-CG1 3.49Å; L477-I528 VanDerWaalsContact CD1-CG1 3.49Å; L477-I528 HydrophobicContact CD2-CG1 4.16Å; L477-I528 HydrophobicContact CG-CG1 4.48Å; L477-L531 HydrophobicContact CB-CD1 4.23Å; L477-L531 HydrophobicContact CD2-CD1 3.68Å; L477-L531 HydrophobicContact CG-CD1 4.46Å
478	N	87.8	Confident	79.6	Confident	69 Å²	69	63 Å²	63	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-44.6	172.2	-72.2	-33.7	0	0	0	110.9	N474 E475 L476 I480 E481 I482 K527	N474-N478 PolarHBondContact O-N 3.37Å; N474-N478 PolarHBondContact O-ND2 3.13Å; E475-N478 WeakPolarHBondContact O-CB 3.43Å; E475-N478 PolarHBondContact O-N 3.2Å; E475-N478 VanDerWaalsContact O-N 3.11Å; L476-N478 VanDerWaalsContact C-N 3.33Å; L476-N478 PolarHBondContact O-N 3.12Å; N478-I480 VanDerWaalsContact C-N 3.35Å; N478-I480 PolarHBondContact O-N 2.87Å; N478-E481 PolarHBondContact O-N 3.32Å; N478-I482 WeakPolarHBondContact O-CD1 3.49Å; N478-I482 VanDerWaalsContact O-CG1 3.26Å; N478-I482 WeakPolarHBondContact O-CG1 3.02Å; N478-I482 PolarHBondContact O-N 3.44Å; N478-K527 PolarHBondContact OD1-NZ 3.37Å
479	E	83.9	Confident	77.7	Confident	80 Å²	80	60.2 Å²	60.2	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176.9	-67.5	-177	-171.6	0	0	111.3	K410 E475 L476 Y483	K410-E479 IonicContact NZ-OE1 3.71Å; K410-E479 PolarHBondContact NZ-OE1 3.14Å; K410-E479 IonicContact NZ-OE2 2.98Å; E475-E479 PolarHBondContact O-N 2.99Å; L476-E479 PolarHBondContact O-N 3.32Å; E479-Y483 WeakPolarHBondContact O-CB 3.3Å; E479-Y483 PolarHBondContact O-N 3.3Å
480	I	85	Confident	75.5	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-43.1	176.9	-68.1	165.6	0	0	0	111.5	L418 L421 L476 L477 N478 I482 Y483 F484 F508	L418-I480 HydrophobicContact CD2-CD1 3.75Å; L418-I480 HydrophobicContact CD2-CG1 4.2Å; L418-I480 HydrophobicContact CD2-CG2 4.5Å; L421-I480 HydrophobicContact CD1-CD1 3.96Å; L421-I480 HydrophobicContact CD1-CG1 4.38Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.42Å; L476-I480 PolarHBondContact O-N 2.66Å; L477-I480 PolarHBondContact O-N 3.3Å; N478-I480 VanDerWaalsContact C-N 3.35Å; N478-I480 PolarHBondContact O-N 2.87Å; I480-I482 PolarHBondContact O-N 2.92Å; I480-Y483 WeakPolarHBondContact O-CB 3.3Å; I480-Y483 PolarHBondContact O-N 3.29Å; I480-Y483 VanDerWaalsContact O-N 3.13Å; I480-F484 HydrophobicContact CG2-CD1 4.26Å; I480-F484 HydrophobicContact CG2-CD2 3.91Å; I480-F484 HydrophobicContact CG2-CE1 4.03Å; I480-F484 HydrophobicContact CG2-CE2 3.68Å; I480-F484 HydrophobicContact CG2-CG 4.21Å; I480-F484 HydrophobicContact CG2-CZ 3.73Å; I480-F484 WeakPolarHBondContact O-CB 3.29Å; I480-F484 WeakPolarHBondContact O-CG 3.35Å; I480-F484 PolarHBondContact O-N 3.33Å; I480-F508 HydrophobicContact CD1-CD1 4.43Å; I480-F508 HydrophobicContact CD1-CE1 3.52Å; I480-F508 HydrophobicContact CD1-CE2 3.94Å; I480-F508 HydrophobicContact CD1-CZ 3.23Å
481	E	83.8	Confident	73.4	Confident	68 Å²	68	69.1 Å²	69.1	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-45.6	179	-173.4	169.6	-176.4	0	0	111.3	L477 N478 Y483 F484 N485 L531	L477-E481 VanDerWaalsContact O-CB 3.23Å; L477-E481 WeakPolarHBondContact O-CB 3.29Å; L477-E481 PolarHBondContact O-N 2.95Å; N478-E481 PolarHBondContact O-N 3.32Å; E481-Y483 VanDerWaalsContact C-N 3.29Å; E481-Y483 PolarHBondContact O-N 3.02Å; E481-F484 PolarHBondContact O-N 3.44Å; E481-N485 WeakPolarHBondContact CG-ND2 3.29Å; E481-N485 VanDerWaalsContact O-CB 3.29Å; E481-N485 WeakPolarHBondContact O-CB 3.43Å; E481-N485 VanDerWaalsContact O-CG 3.3Å; E481-N485 PolarHBondContact O-N 3.47Å; E481-N485 PolarHBondContact O-ND2 3.46Å; E481-L531 HydrophobicContact CB-CD2 3.78Å; E481-L531 HydrophobicContact CG-CD2 3.83Å
482	I	80	Confident	71.6	Confident	104 Å²	104	63.2 Å²	63.2	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-43.1	174	-67.6	164.8	0	0	0	110.3	N478 I480 N486	N478-I482 WeakPolarHBondContact O-CD1 3.49Å; N478-I482 VanDerWaalsContact O-CG1 3.26Å; N478-I482 WeakPolarHBondContact O-CG1 3.02Å; N478-I482 PolarHBondContact O-N 3.44Å; I480-I482 PolarHBondContact O-N 2.92Å; I482-N486 WeakPolarHBondContact CG2-ND2 3.18Å; I482-N486 VanDerWaalsContact O-CB 3.25Å; I482-N486 WeakPolarHBondContact O-CB 3.5Å; I482-N486 PolarHBondContact O-N 2.93Å; I482-N486 VanDerWaalsContact O-N 3.16Å; I482-N486 PolarHBondContact O-ND2 3.33Å; I482-N486 VanDerWaalsContact O-ND2 3.12Å
483	Y	75.2	Confident	70.2	Confident	90 Å²	90	70.1 Å²	70.1	35%	0.353	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-43.1	179.1	-180	-107.3	0	0	0	112.6	E479 I480 E481	E479-Y483 WeakPolarHBondContact O-CB 3.3Å; E479-Y483 PolarHBondContact O-N 3.3Å; I480-Y483 WeakPolarHBondContact O-CB 3.3Å; I480-Y483 PolarHBondContact O-N 3.29Å; I480-Y483 VanDerWaalsContact O-N 3.13Å; E481-Y483 VanDerWaalsContact C-N 3.29Å; E481-Y483 PolarHBondContact O-N 3.02Å
484	F	77.5	Confident	69	Low	3 Å²	3	70.5 Å²	70.5	1%	0.013	37%	0.372	C	S	.	.	H	α-helix	trans	-72.8	-32	-179.8	-74.7	1.5	0	0	0	113.4	L418 I480 E481 P495 F509 L541	L418-F484 HydrophobicContact CD1-CZ 4.27Å; I480-F484 HydrophobicContact CG2-CD1 4.26Å; I480-F484 HydrophobicContact CG2-CD2 3.91Å; I480-F484 HydrophobicContact CG2-CE1 4.03Å; I480-F484 HydrophobicContact CG2-CE2 3.68Å; I480-F484 HydrophobicContact CG2-CG 4.21Å; I480-F484 HydrophobicContact CG2-CZ 3.73Å; I480-F484 WeakPolarHBondContact O-CB 3.29Å; I480-F484 WeakPolarHBondContact O-CG 3.35Å; I480-F484 PolarHBondContact O-N 3.33Å; E481-F484 PolarHBondContact O-N 3.44Å; F484-P495 VanDerWaalsContact CD1-CD 3.46Å; F484-P495 HydrophobicContact CD1-CG 3.88Å; F484-P495 HydrophobicContact CD2-CG 4.11Å; F484-P495 HydrophobicContact CE1-CB 4.2Å; F484-P495 HydrophobicContact CE1-CG 3.72Å; F484-P495 HydrophobicContact CE2-CG 3.94Å; F484-P495 HydrophobicContact CG-CG 4.09Å; F484-P495 HydrophobicContact CZ-CB 4.37Å; F484-P495 HydrophobicContact CZ-CG 3.75Å; F484-F509 HydrophobicContact CE2-CZ 4.3Å; F484-L541 HydrophobicContact CE2-CD1 4.44Å; F484-L541 HydrophobicContact CZ-CD1 4.33Å
485	N	69.9	Low	68.1	Low	66 Å²	66	67.7 Å²	67.7	35%	0.353	36%	0.357	S	S	.	.	H	α-helix	trans	-91	-11.2	-176.3	-68	-17.4	0	0	0	113.8	E481 N487	E481-N485 WeakPolarHBondContact CG-ND2 3.29Å; E481-N485 VanDerWaalsContact O-CB 3.29Å; E481-N485 WeakPolarHBondContact O-CB 3.43Å; E481-N485 VanDerWaalsContact O-CG 3.3Å; E481-N485 PolarHBondContact O-N 3.47Å; E481-N485 PolarHBondContact O-ND2 3.46Å; N485-N487 PolarHBondContact O-N 3.13Å
486	N	61.3	Low	67	Low	69 Å²	69	66 Å²	66	37%	0.369	35%	0.349	S	S	.	.			trans	-73.5	64.5	-179.7	-90.9	-24.7	0	0	0	113.1	I482 N488 G492	I482-N486 WeakPolarHBondContact CG2-ND2 3.18Å; I482-N486 VanDerWaalsContact O-CB 3.25Å; I482-N486 WeakPolarHBondContact O-CB 3.5Å; I482-N486 PolarHBondContact O-N 2.93Å; I482-N486 VanDerWaalsContact O-N 3.16Å; I482-N486 PolarHBondContact O-ND2 3.33Å; I482-N486 VanDerWaalsContact O-ND2 3.12Å; N486-N488 PolarHBondContact O-N 3.45Å; N486-G492 CarbonylContact O-C 3.53Å
487	N	51	Low	65.7	Low	98 Å²	98	72.3 Å²	72.3	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.2	169.9	-76.9	-23.5	0	0	0	113	N485	N485-N487 PolarHBondContact O-N 3.13Å
488	N	41.6	Very low	64.3	Low	166 Å²	166	80.8 Å²	80.8	89%	0.888	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.6	-168.2	-70.2	-14	0	0	0	115.7	N486	N486-N488 PolarHBondContact O-N 3.45Å
489	S	39	Very low	63.3	Low	63 Å²	63	79.7 Å²	79.7	44%	0.441	40%	0.404	S	S	.	.	S	Bend	trans	-110.6	4.4	-174.3	62.2	0	0	0	0	115.4	I491	S489-I491 WeakPolarHBondContact O-CG1 3.47Å; S489-I491 PolarHBondContact O-N 2.83Å
490	G	39.5	Very low	62.4	Low	78 Å²	78	80.3 Å²	80.3	80%	0.804	42%	0.423	S	S	*	.	S	Bend	trans	65.9	0.4	-179.4	0	0	0	0	0	115
491	I	43.6	Very low	61.7	Low	131 Å²	131	82.1 Å²	82.1	67%	0.672	43%	0.429	S	S	*	.	S	Bend	trans	-118.5	-13.2	-171.8	-64.3	165.5	0	0	0	112	S489	S489-I491 WeakPolarHBondContact O-CG1 3.47Å; S489-I491 PolarHBondContact O-N 2.83Å
492	G	47.9	Very low	61	Low	9 Å²	9	81.6 Å²	81.6	9%	0.093	43%	0.431	C	S	.	.			trans	-123.2	133.8	169.9	0	0	0	0	0	110.1	N486	N486-G492 CarbonylContact O-C 3.53Å
493	R	58.8	Low	60.6	Low	185 Å²	185	83 Å²	83	70%	0.698	44%	0.438	S	S	*	.			trans	-113.3	139.4	163.4	-73.6	-176.2	178.5	174.2	2	106.3
494	S	65.8	Low	60.8	Low	8 Å²	8	79.2 Å²	79.2	6%	0.056	42%	0.424	C	S	.	.			trans	-49.5	137.7	167.5	-175.5	0	0	0	0	109.2	Q496 E536 R538	S494-Q496 WeakPolarHBondContact O-CG 3.26Å; S494-Q496 PolarHBondContact O-N 3.3Å; S494-E536 WeakPolarHBondContact CB-OE2 3.33Å; S494-E536 VanDerWaalsContact OG-CD 3.32Å; S494-E536 PolarHBondContact OG-OE2 2.83Å; S494-R538 PolarHBondContact OG-NE 2.93Å; S494-R538 PolarHBondContact OG-NH2 2.9Å
495	P	71.6	Confident	60.9	Low	5 Å²	5	79.5 Å²	79.5	3%	0.032	43%	0.425	C	S	.	.			trans	-53.5	133.9	-178.2	24.8	-38.1	0	0	0	110.3	F484 W501 R538 F540	F484-P495 VanDerWaalsContact CD1-CD 3.46Å; F484-P495 HydrophobicContact CD1-CG 3.88Å; F484-P495 HydrophobicContact CD2-CG 4.11Å; F484-P495 HydrophobicContact CE1-CB 4.2Å; F484-P495 HydrophobicContact CE1-CG 3.72Å; F484-P495 HydrophobicContact CE2-CG 3.94Å; F484-P495 HydrophobicContact CG-CG 4.09Å; F484-P495 HydrophobicContact CZ-CB 4.37Å; F484-P495 HydrophobicContact CZ-CG 3.75Å; P495-W501 HydrophobicContact CB-CH2 3.62Å; P495-W501 HydrophobicContact CB-CZ2 3.3Å; P495-R538 HydrophobicContact CG-CG 4.17Å; P495-F540 HydrophobicContact CB-CE2 4.47Å; P495-F540 HydrophobicContact CB-CZ 3.95Å; P495-F540 HydrophobicContact CG-CZ 4.34Å; P495-F540 VanDerWaalsContact O-CZ 3.22Å; P495-F540 WeakPolarHBondContact O-CZ 3.4Å
496	Q	66.6	Low	61.4	Low	80 Å²	80	78.8 Å²	78.8	37%	0.374	42%	0.418	S	S	.	.			trans	-110.5	149.1	178.3	-57.7	-166	-17.1	0	0	110.3	S494 F498 D499 W501	S494-Q496 WeakPolarHBondContact O-CG 3.26Å; S494-Q496 PolarHBondContact O-N 3.3Å; Q496-F498 PolarHBondContact O-N 3.49Å; Q496-F498 VanDerWaalsContact O-N 3.08Å; Q496-D499 PolarHBondContact N-OD2 2.94Å; Q496-D499 WeakPolarHBondContact O-CB 3.42Å; Q496-D499 PolarHBondContact O-N 3.5Å; Q496-W501 PolarHBondContact O-NE1 3.09Å
497	R	61.2	Low	62.6	Low	135 Å²	135	79 Å²	79	51%	0.509	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.7	175.2	-177.7	-179.4	-80.6	-158.6	-1.7	112.9	F540	R497-F540 HydrophobicContact CB-CB 4.32Å; R497-F540 HydrophobicContact CB-CD1 4.37Å; R497-F540 HydrophobicContact CB-CD2 4.26Å; R497-F540 HydrophobicContact CB-CG 4.06Å; R497-F540 HydrophobicContact CG-CB 4.21Å; R497-F540 HydrophobicContact CG-CG 4.44Å
498	F	60.4	Low	64.4	Low	178 Å²	178	74.3 Å²	74.3	78%	0.781	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	2.9	-178.5	-55.6	-71.3	0	0	0	114.1	Q496	Q496-F498 PolarHBondContact O-N 3.49Å; Q496-F498 VanDerWaalsContact O-N 3.08Å
499	D	64.9	Low	66.8	Low	46 Å²	46	66.4 Å²	66.4	25%	0.246	35%	0.35	C	S	.	.	S	Bend	trans	-66.4	150.5	168	-69.2	-36.2	0	0	0	109.5	R15 Q496 W501	R15-D499 IonicContact NH2-OD1 2.85Å; Q496-D499 PolarHBondContact N-OD2 2.94Å; Q496-D499 WeakPolarHBondContact O-CB 3.42Å; Q496-D499 PolarHBondContact O-N 3.5Å; D499-W501 HydrophobicContact CB-CD2 4.48Å; D499-W501 HydrophobicContact CB-CZ2 3.83Å; D499-W501 PolarHBondContact O-N 3.47Å
500	A	65.7	Low	69.2	Low	93 Å²	93	64.4 Å²	64.4	77%	0.769	34%	0.336	S	S	*	.			trans	-78.4	70.1	-176.8	0	0	0	0	0	111.6
501	W	70.3	Confident	71.5	Confident	49 Å²	49	61.2 Å²	61.2	19%	0.186	30%	0.301	C	S	.	.			trans	-71.9	138.1	176.6	-56.6	105.8	0	0	0	111.7	L418 P495 Q496 D499 D505 Y506 F540 L541	L418-W501 HydrophobicContact CD1-CE3 4.34Å; L418-W501 HydrophobicContact CD1-CH2 4.38Å; L418-W501 HydrophobicContact CD1-CZ3 3.71Å; L418-W501 HydrophobicContact CG-CZ3 4.49Å; P495-W501 HydrophobicContact CB-CH2 3.62Å; P495-W501 HydrophobicContact CB-CZ2 3.3Å; Q496-W501 PolarHBondContact O-NE1 3.09Å; D499-W501 HydrophobicContact CB-CD2 4.48Å; D499-W501 HydrophobicContact CB-CZ2 3.83Å; D499-W501 PolarHBondContact O-N 3.47Å; W501-D505 HydrophobicContact CB-CB 4.49Å; W501-D505 HydrophobicContact CE3-CB 3.89Å; W501-Y506 HydrophobicContact CB-CD1 4.49Å; W501-Y506 HydrophobicContact CB-CE1 3.77Å; W501-Y506 HydrophobicContact CB-CE2 4.07Å; W501-Y506 HydrophobicContact CG-CE1 4.14Å; W501-F540 HydrophobicContact CZ2-CE2 4.45Å; W501-F540 AromaticContact NE1-CE2 3.62Å; W501-L541 HydrophobicContact CD2-CD2 3.82Å; W501-L541 HydrophobicContact CE3-CD2 4.09Å; W501-L541 HydrophobicContact CG-CD2 4.35Å; W501-L541 HydrophobicContact CH2-CD2 4.36Å; W501-L541 HydrophobicContact CZ2-CD2 4.12Å; W501-L541 HydrophobicContact CZ3-CD2 4.33Å
502	T	70.4	Confident	73.8	Confident	58 Å²	58	55 Å²	55	36%	0.356	27%	0.269	S	S	.	.			trans	-91.1	165.3	173.6	67.2	0	0	0	0	111.3	D504 D505 Y506	T502-D504 PolarHBondContact O-N 2.91Å; T502-D505 WeakPolarHBondContact CB-OD2 3.31Å; T502-D505 PolarHBondContact N-OD2 3.48Å; T502-D505 WeakPolarHBondContact O-CB 3.38Å; T502-D505 PolarHBondContact O-N 2.92Å; T502-D505 VanDerWaalsContact O-N 3.16Å; T502-D505 PolarHBondContact OG1-N 2.94Å; T502-D505 PolarHBondContact OG1-OD2 2.93Å; T502-Y506 WeakPolarHBondContact O-CD2 3.47Å; T502-Y506 PolarHBondContact O-N 3.5Å
503	I	71.2	Confident	75.9	Confident	133 Å²	133	54.6 Å²	54.6	68%	0.682	26%	0.264	S	S	*	.	H	α-helix	trans	-57.5	-39.8	174.1	-65.3	171.3	0	0	0	110.8	D505 Y506 M507	I503-D505 VanDerWaalsContact C-N 3.33Å; I503-D505 PolarHBondContact O-N 2.94Å; I503-Y506 PolarHBondContact O-N 3.26Å; I503-M507 WeakPolarHBondContact O-CG 3.48Å; I503-M507 PolarHBondContact O-N 2.93Å
504	D	78.3	Confident	77.2	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-39.5	178.6	-62.9	0.5	0	0	0	111	R331 G419 A422 N423 T502 Y506 M507	R331-D504 IonicContact CZ-OD1 3.86Å; R331-D504 IonicContact CZ-OD2 2.91Å; R331-D504 IonicContact NH1-OD1 2.78Å; R331-D504 IonicContact NH1-OD2 3.6Å; R331-D504 PolarHBondContact NH1-OD2 3.45Å; R331-D504 IonicContact NH2-OD1 2.91Å; R331-D504 PolarHBondContact NH2-OD1 2.96Å; R331-D504 IonicContact NH2-OD2 3.8Å; R331-D504 PolarHBondContact NH2-OD2 3.2Å; G419-D504 WeakPolarHBondContact CA-O 3.36Å; A422-D504 WeakPolarHBondContact CB-O 3.39Å; N423-D504 PolarHBondContact ND2-OD2 3.11Å; N423-D504 VanDerWaalsContact ND2-OD2 3.13Å; T502-D504 PolarHBondContact O-N 2.91Å; D504-Y506 VanDerWaalsContact C-N 3.32Å; D504-Y506 PolarHBondContact O-N 3.4Å; D504-M507 WeakPolarHBondContact O-CB 3.44Å; D504-M507 PolarHBondContact O-N 3.41Å; D504-M507 VanDerWaalsContact O-N 3.12Å
505	D	80.7	Confident	78.3	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-41.6	177.8	-63.9	-52.8	0	0	0	112.2	L418 G419 W501 T502 I503 M507 F508	L418-D505 HydrophobicContact CB-CB 4.02Å; L418-D505 WeakPolarHBondContact CB-OD1 3.46Å; L418-D505 PolarHBondContact N-OD1 2.89Å; G419-D505 PolarHBondContact N-OD1 3.28Å; W501-D505 HydrophobicContact CB-CB 4.49Å; W501-D505 HydrophobicContact CE3-CB 3.89Å; T502-D505 WeakPolarHBondContact CB-OD2 3.31Å; T502-D505 PolarHBondContact N-OD2 3.48Å; T502-D505 WeakPolarHBondContact O-CB 3.38Å; T502-D505 PolarHBondContact O-N 2.92Å; T502-D505 VanDerWaalsContact O-N 3.16Å; T502-D505 PolarHBondContact OG1-N 2.94Å; T502-D505 PolarHBondContact OG1-OD2 2.93Å; I503-D505 VanDerWaalsContact C-N 3.33Å; I503-D505 PolarHBondContact O-N 2.94Å; D505-M507 PolarHBondContact O-N 2.93Å; D505-F508 WeakPolarHBondContact O-CB 3.35Å; D505-F508 PolarHBondContact O-N 3.14Å
506	Y	80.3	Confident	79	Confident	52 Å²	52	48.1 Å²	48.1	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-35.6	177.3	-66.1	-51.2	0	0	0	111.2	W501 T502 I503 D504 F508 P510 L541 P543 M547	W501-Y506 HydrophobicContact CB-CD1 4.49Å; W501-Y506 HydrophobicContact CB-CE1 3.77Å; W501-Y506 HydrophobicContact CB-CE2 4.07Å; W501-Y506 HydrophobicContact CG-CE1 4.14Å; T502-Y506 WeakPolarHBondContact O-CD2 3.47Å; T502-Y506 PolarHBondContact O-N 3.5Å; I503-Y506 PolarHBondContact O-N 3.26Å; D504-Y506 VanDerWaalsContact C-N 3.32Å; D504-Y506 PolarHBondContact O-N 3.4Å; Y506-F508 PolarHBondContact O-N 2.85Å; Y506-P510 WeakPolarHBondContact O-CD 3.39Å; Y506-L541 WeakPolarHBondContact CD1-O 3.47Å; Y506-P543 HydrophobicContact CD1-CB 3.94Å; Y506-P543 HydrophobicContact CD1-CG 3.83Å; Y506-P543 HydrophobicContact CD2-CB 3.99Å; Y506-P543 HydrophobicContact CD2-CG 3.72Å; Y506-P543 HydrophobicContact CE1-CB 3.88Å; Y506-P543 HydrophobicContact CE1-CG 4.3Å; Y506-P543 HydrophobicContact CE2-CB 3.97Å; Y506-P543 HydrophobicContact CE2-CG 4.22Å; Y506-P543 HydrophobicContact CG-CB 3.99Å; Y506-P543 HydrophobicContact CG-CG 3.51Å; Y506-M547 WeakPolarHBondContact O-CE 3.44Å
507	M	85.4	Confident	80	Confident	72 Å²	72	45.2 Å²	45.2	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-69.3	-13	-177.8	-68.3	-61	-68.4	0	0	114.7	A422 I503 D504 D505 F509 P510 I511 M547	A422-M507 HydrophobicContact CB-CB 4.34Å; I503-M507 WeakPolarHBondContact O-CG 3.48Å; I503-M507 PolarHBondContact O-N 2.93Å; D504-M507 WeakPolarHBondContact O-CB 3.44Å; D504-M507 PolarHBondContact O-N 3.41Å; D504-M507 VanDerWaalsContact O-N 3.12Å; D505-M507 PolarHBondContact O-N 2.93Å; M507-F509 PolarHBondContact O-N 2.88Å; M507-P510 WeakPolarHBondContact O-CD 3.26Å; M507-I511 VanDerWaalsContact O-CG2 3.31Å; M507-I511 WeakPolarHBondContact O-CG2 3.29Å; M507-I511 PolarHBondContact O-N 3.47Å; M507-I511 VanDerWaalsContact O-N 3.09Å; M507-M547 HydrophobicContact SD-CE 4.44Å
508	F	90.2	Very high	80.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-52.3	-178	179.2	-97.4	0	0	0	113.4	L418 L421 A422 L425 L473 L477 I480 D505 Y506 I511 A512	L418-F508 HydrophobicContact CB-CB 4.09Å; L418-F508 HydrophobicContact CB-CG 4.39Å; L418-F508 HydrophobicContact CD2-CB 4.48Å; L418-F508 HydrophobicContact CD2-CD1 3.89Å; L418-F508 HydrophobicContact CD2-CD2 4.41Å; L418-F508 HydrophobicContact CD2-CE1 4.25Å; L418-F508 HydrophobicContact CD2-CG 3.98Å; L421-F508 HydrophobicContact CB-CD2 3.77Å; L421-F508 HydrophobicContact CB-CE2 3.64Å; L421-F508 HydrophobicContact CD1-CE2 4.2Å; A422-F508 HydrophobicContact CB-CB 4.01Å; A422-F508 HydrophobicContact CB-CD2 4.44Å; L425-F508 HydrophobicContact CD1-CD2 4.19Å; L425-F508 HydrophobicContact CD1-CE2 3.75Å; L425-F508 HydrophobicContact CD1-CZ 4.47Å; L473-F508 HydrophobicContact CD1-CZ 4.4Å; L477-F508 HydrophobicContact CD2-CE1 3.97Å; L477-F508 HydrophobicContact CD2-CZ 4.04Å; I480-F508 HydrophobicContact CD1-CD1 4.43Å; I480-F508 HydrophobicContact CD1-CE1 3.52Å; I480-F508 HydrophobicContact CD1-CE2 3.94Å; I480-F508 HydrophobicContact CD1-CZ 3.23Å; D505-F508 WeakPolarHBondContact O-CB 3.35Å; D505-F508 PolarHBondContact O-N 3.14Å; Y506-F508 PolarHBondContact O-N 2.85Å; F508-I511 WeakPolarHBondContact O-CG2 3.48Å; F508-I511 PolarHBondContact O-N 3.28Å; F508-A512 WeakPolarHBondContact O-CB 3.46Å; F508-A512 PolarHBondContact O-N 2.94Å
509	F	91	Very high	82	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-43.4	-175.9	-71.7	-85.7	0	0	0	113.2	L418 F484 M507 A512 M513 I528 L531 L532 L541 L542 Y551	L418-F509 HydrophobicContact CD1-CE2 4.5Å; F484-F509 HydrophobicContact CE2-CZ 4.3Å; M507-F509 PolarHBondContact O-N 2.88Å; F509-A512 PolarHBondContact O-N 3.42Å; F509-M513 WeakPolarHBondContact O-CB 3.35Å; F509-M513 PolarHBondContact O-N 3.28Å; F509-I528 HydrophobicContact CD1-CG2 3.8Å; F509-I528 HydrophobicContact CE1-CG2 4.48Å; F509-L531 HydrophobicContact CE1-CB 4.28Å; F509-L532 HydrophobicContact CB-CD1 4.16Å; F509-L532 HydrophobicContact CD1-CD1 3.72Å; F509-L532 HydrophobicContact CD1-CD2 3.77Å; F509-L532 HydrophobicContact CD1-CG 3.61Å; F509-L532 HydrophobicContact CD2-CD2 3.87Å; F509-L532 HydrophobicContact CE1-CD1 4.31Å; F509-L532 HydrophobicContact CE1-CD2 3.66Å; F509-L532 HydrophobicContact CE1-CG 3.67Å; F509-L532 HydrophobicContact CE2-CD2 3.78Å; F509-L532 HydrophobicContact CG-CD1 3.93Å; F509-L532 HydrophobicContact CG-CD2 3.88Å; F509-L532 HydrophobicContact CG-CG 4.1Å; F509-L532 HydrophobicContact CZ-CD2 3.67Å; F509-L532 HydrophobicContact CZ-CG 4.21Å; F509-L541 HydrophobicContact CD2-CB 4.16Å; F509-L541 HydrophobicContact CD2-CD1 4.36Å; F509-L541 HydrophobicContact CE2-CB 4.16Å; F509-L541 HydrophobicContact CE2-CD1 3.53Å; F509-L541 HydrophobicContact CE2-CG 4.43Å; F509-L541 HydrophobicContact CZ-CD1 4.15Å; F509-L542 HydrophobicContact CB-CD2 4.33Å; F509-Y551 HydrophobicContact CB-CD2 4.38Å; F509-Y551 HydrophobicContact CB-CE2 4.06Å
510	P	89.1	Confident	82.9	Confident	21 Å²	21	37.1 Å²	37.1	14%	0.136	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-47.6	171.8	-25.8	32.7	0	0	0	113.7	Y506 M507 A512 M513 K514 L542 M547	Y506-P510 WeakPolarHBondContact O-CD 3.39Å; M507-P510 WeakPolarHBondContact O-CD 3.26Å; P510-A512 PolarHBondContact O-N 3.14Å; P510-M513 PolarHBondContact O-N 2.99Å; P510-K514 WeakPolarHBondContact O-CB 3.24Å; P510-K514 PolarHBondContact O-N 3.26Å; P510-L542 HydrophobicContact CG-CD2 4.22Å; P510-M547 HydrophobicContact CG-CE 3.29Å; P510-M547 HydrophobicContact CG-CG 3.99Å; P510-M547 HydrophobicContact CG-SD 4.34Å
511	I	88.6	Confident	83.8	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.062	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-37.6	-177.9	-164.9	61.4	0	0	0	111.6	A422 L425 F426 N429 M507 F508 K514 C515	A422-I511 HydrophobicContact CB-CG2 4.24Å; L425-I511 HydrophobicContact CB-CG1 4.11Å; L425-I511 HydrophobicContact CB-CG2 3.89Å; L425-I511 HydrophobicContact CD1-CG2 4.13Å; F426-I511 HydrophobicContact CB-CD1 4.34Å; F426-I511 HydrophobicContact CB-CG1 4.12Å; F426-I511 HydrophobicContact CD2-CD1 3.82Å; N429-I511 HydrophobicContact CB-CD1 4.28Å; M507-I511 VanDerWaalsContact O-CG2 3.31Å; M507-I511 WeakPolarHBondContact O-CG2 3.29Å; M507-I511 PolarHBondContact O-N 3.47Å; M507-I511 VanDerWaalsContact O-N 3.09Å; F508-I511 WeakPolarHBondContact O-CG2 3.48Å; F508-I511 PolarHBondContact O-N 3.28Å; I511-K514 HydrophobicContact CD1-CD 4.48Å; I511-K514 PolarHBondContact O-N 3.49Å; I511-C515 PolarHBondContact O-N 3.49Å; I511-C515 PolarHBondContact O-SG 3.48Å
512	A	91.6	Very high	84.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-43.7	173.7	0	0	0	0	0	111.8	L425 L473 F508 F509 P510 C515 A516 I528	L425-A512 HydrophobicContact CD1-CB 4.25Å; L473-A512 HydrophobicContact CD1-CB 3.93Å; L473-A512 HydrophobicContact CD2-CB 4.02Å; F508-A512 WeakPolarHBondContact O-CB 3.46Å; F508-A512 PolarHBondContact O-N 2.94Å; F509-A512 PolarHBondContact O-N 3.42Å; P510-A512 PolarHBondContact O-N 3.14Å; A512-C515 PolarHBondContact O-N 2.93Å; A512-A516 PolarHBondContact O-N 3.33Å; A512-I528 HydrophobicContact CB-CD1 3.94Å; A512-I528 HydrophobicContact CB-CG1 4.41Å; A512-I528 HydrophobicContact CB-CG2 4.44Å; A512-I528 WeakPolarHBondContact O-CD1 3.44Å
513	M	91.5	Very high	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-41	176.1	-171.5	57.8	65.3	0	0	111.4	F509 P510 C515 A516 M517 I528 Y551 D554 Y555 L558	F509-M513 WeakPolarHBondContact O-CB 3.35Å; F509-M513 PolarHBondContact O-N 3.28Å; P510-M513 PolarHBondContact O-N 2.99Å; M513-C515 VanDerWaalsContact C-N 3.34Å; M513-C515 PolarHBondContact O-N 3.17Å; M513-A516 PolarHBondContact O-N 3.29Å; M513-M517 VanDerWaalsContact O-CB 3.31Å; M513-M517 WeakPolarHBondContact O-CB 3.48Å; M513-M517 PolarHBondContact O-N 3.24Å; M513-I528 HydrophobicContact CE-CB 4.06Å; M513-I528 HydrophobicContact CE-CG2 3.94Å; M513-Y551 HydrophobicContact CB-CD2 3.97Å; M513-Y551 HydrophobicContact CB-CE2 3.76Å; M513-Y551 HydrophobicContact CE-CE2 3.68Å; M513-Y551 VanDerWaalsContact CE-OH 3.26Å; M513-Y551 WeakPolarHBondContact CE-OH 3.47Å; M513-Y551 HydrophobicContact CG-CD2 4.34Å; M513-Y551 HydrophobicContact CG-CE2 4.15Å; M513-D554 HydrophobicContact CG-CB 3.96Å; M513-Y555 HydrophobicContact CE-CD2 3.56Å; M513-Y555 HydrophobicContact CE-CE2 4.48Å; M513-Y555 HydrophobicContact CE-CG 4.18Å; M513-Y555 HydrophobicContact SD-CD2 3.97Å; M513-L558 HydrophobicContact SD-CD2 4.11Å
514	K	87.6	Confident	86.5	Confident	61 Å²	61	33 Å²	33	27%	0.265	16%	0.16	S	C	.	.	H	α-helix	trans	-61.3	-42.1	175.4	-166.7	172.7	-172.1	173.4	0	111.7	P510 I511 M517 N518	P510-K514 WeakPolarHBondContact O-CB 3.24Å; P510-K514 PolarHBondContact O-N 3.26Å; I511-K514 HydrophobicContact CD1-CD 4.48Å; I511-K514 PolarHBondContact O-N 3.49Å; K514-M517 HydrophobicContact CG-CE 4.44Å; K514-M517 PolarHBondContact O-N 2.93Å; K514-N518 WeakPolarHBondContact O-CB 3.48Å; K514-N518 PolarHBondContact O-N 3.32Å
515	C	87.2	Confident	87.1	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-48.2	173.7	-65.7	0	0	0	0	111.7	L473 I511 A512 M513 M517 N518 E519	L473-C515 HydrophobicContact CD2-CB 4.1Å; I511-C515 PolarHBondContact O-N 3.49Å; I511-C515 PolarHBondContact O-SG 3.48Å; A512-C515 PolarHBondContact O-N 2.93Å; M513-C515 VanDerWaalsContact C-N 3.34Å; M513-C515 PolarHBondContact O-N 3.17Å; C515-M517 VanDerWaalsContact C-N 3.28Å; C515-M517 PolarHBondContact O-N 2.97Å; C515-N518 PolarHBondContact O-N 3.4Å; C515-E519 PolarHBondContact O-N 3.31Å; C515-E519 VanDerWaalsContact O-N 3.09Å
516	A	88.1	Confident	87.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-35.8	177.3	0	0	0	0	0	112.5	A512 M513 L520 N521 L524 I528 L558	A512-A516 PolarHBondContact O-N 3.33Å; M513-A516 PolarHBondContact O-N 3.29Å; A516-L520 PolarHBondContact O-N 2.91Å; A516-L520 VanDerWaalsContact O-N 3.07Å; A516-N521 PolarHBondContact O-N 2.77Å; A516-L524 HydrophobicContact CB-CB 4.3Å; A516-L524 HydrophobicContact CB-CD2 4.19Å; A516-L524 HydrophobicContact CB-CG 4.21Å; A516-I528 HydrophobicContact CB-CD1 3.97Å; A516-L558 HydrophobicContact CB-CD2 4.01Å
517	M	85.6	Confident	88	Confident	19 Å²	19	34.8 Å²	34.8	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-46.3	175.7	-174.5	-179.4	65.3	0	0	112	M513 K514 C515 E519 L520 D554 K557 L558	M513-M517 VanDerWaalsContact O-CB 3.31Å; M513-M517 WeakPolarHBondContact O-CB 3.48Å; M513-M517 PolarHBondContact O-N 3.24Å; K514-M517 HydrophobicContact CG-CE 4.44Å; K514-M517 PolarHBondContact O-N 2.93Å; C515-M517 VanDerWaalsContact C-N 3.28Å; C515-M517 PolarHBondContact O-N 2.97Å; M517-E519 PolarHBondContact O-N 2.96Å; M517-L520 WeakPolarHBondContact O-CD2 3.16Å; M517-L520 PolarHBondContact O-N 2.68Å; M517-D554 HydrophobicContact SD-CB 4.15Å; M517-K557 HydrophobicContact SD-CB 4.22Å; M517-K557 HydrophobicContact SD-CD 3.75Å; M517-K557 HydrophobicContact SD-CG 4.16Å; M517-L558 HydrophobicContact CG-CB 4.48Å
518	N	82	Confident	88.4	Confident	78 Å²	78	31.3 Å²	31.3	42%	0.417	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-34.3	177.9	-72.6	-10.9	0	0	0	112	N429 K514 C515	N429-N518 PolarHBondContact OD1-ND2 3.06Å; K514-N518 WeakPolarHBondContact O-CB 3.48Å; K514-N518 PolarHBondContact O-N 3.32Å; C515-N518 PolarHBondContact O-N 3.4Å
519	E	81.8	Confident	88.4	Confident	46 Å²	46	31.5 Å²	31.5	22%	0.215	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.6	176.6	-64.9	179	-133.9	0	0	113.8	T468 C469 S470 C515 M517 N521	T468-E519 HydrophobicContact CG2-CG 4.4Å; C469-E519 PolarHBondContact N-OE1 3.47Å; C469-E519 PolarHBondContact SG-OE1 3.26Å; S470-E519 WeakPolarHBondContact CB-OE2 3.45Å; S470-E519 PolarHBondContact N-OE1 3.03Å; S470-E519 PolarHBondContact N-OE2 2.95Å; S470-E519 PolarHBondContact OG-OE2 3.09Å; C515-E519 PolarHBondContact O-N 3.31Å; C515-E519 VanDerWaalsContact O-N 3.09Å; M517-E519 PolarHBondContact O-N 2.96Å; E519-N521 PolarHBondContact O-N 2.83Å; E519-N521 VanDerWaalsContact O-N 3.16Å
520	L	83.9	Confident	88.2	Confident	64 Å²	64	35 Å²	35	34%	0.335	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	34	-176.3	-56	173.7	0	0	0	113.6	A516 M517 V522 Q561 N563	A516-L520 PolarHBondContact O-N 2.91Å; A516-L520 VanDerWaalsContact O-N 3.07Å; M517-L520 WeakPolarHBondContact O-CD2 3.16Å; M517-L520 PolarHBondContact O-N 2.68Å; L520-V522 PolarHBondContact O-N 3.49Å; L520-Q561 HydrophobicContact CD2-CB 4.47Å; L520-Q561 HydrophobicContact CD2-CG 4.38Å; L520-N563 WeakPolarHBondContact CD1-OD1 3.25Å; L520-N563 PolarHBondContact O-ND2 3.11Å
521	N	86.4	Confident	88.1	Confident	51 Å²	51	34.4 Å²	34.4	27%	0.273	17%	0.167	S	C	.	.			trans	-92.1	85.1	-175.1	-169.1	-18.7	0	0	0	111.8	S470 A516 E519 K523 L524 G525	S470-N521 WeakPolarHBondContact CB-ND2 3.39Å; S470-N521 PolarHBondContact OG-ND2 3.27Å; A516-N521 PolarHBondContact O-N 2.77Å; E519-N521 PolarHBondContact O-N 2.83Å; E519-N521 VanDerWaalsContact O-N 3.16Å; N521-K523 VanDerWaalsContact C-N 3.33Å; N521-K523 PolarHBondContact O-N 3.46Å; N521-L524 HydrophobicContact CB-CB 3.94Å; N521-L524 HydrophobicContact CB-CD2 4.48Å; N521-L524 VanDerWaalsContact CG-CB 3.41Å; N521-L524 WeakPolarHBondContact O-CB 3.32Å; N521-L524 PolarHBondContact O-N 3.33Å; N521-L524 VanDerWaalsContact O-N 3.17Å; N521-L524 WeakPolarHBondContact OD1-CB 3.44Å; N521-L524 PolarHBondContact OD1-N 3.13Å; N521-L524 VanDerWaalsContact OD1-N 3.15Å; N521-G525 PolarHBondContact O-N 3.3Å
522	V	87.9	Confident	87.9	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-40.8	-177.4	177.9	0	0	0	0	112.9	L520 L524 G525 Q526 L558 M559	L520-V522 PolarHBondContact O-N 3.49Å; V522-L524 VanDerWaalsContact C-N 3.32Å; V522-L524 PolarHBondContact O-N 3.01Å; V522-G525 PolarHBondContact O-N 3.39Å; V522-Q526 WeakPolarHBondContact O-CG 3.47Å; V522-Q526 PolarHBondContact O-N 3.21Å; V522-L558 HydrophobicContact CG2-CD1 4.1Å; V522-M559 HydrophobicContact CG1-SD 3.75Å
523	K	89	Confident	87.3	Confident	172 Å²	172	37.5 Å²	37.5	75%	0.748	18%	0.183	S	C	*	.	H	α-helix	trans	-64	-40.5	179.6	-70.2	-176.9	178.5	-179.9	0	111.4	N521 K527	N521-K523 VanDerWaalsContact C-N 3.33Å; N521-K523 PolarHBondContact O-N 3.46Å; K523-K527 PolarHBondContact O-N 3.36Å
524	L	90.6	Very high	86.2	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-44	176.6	-170	61	0	0	0	111.1	L473 N474 L477 A516 N521 V522 Q526 K527 I528	L473-L524 HydrophobicContact CB-CD2 4.27Å; L473-L524 HydrophobicContact CD2-CD2 3.81Å; L473-L524 HydrophobicContact CD2-CG 4.31Å; L473-L524 HydrophobicContact CG-CD1 4.29Å; L473-L524 HydrophobicContact CG-CD2 4.12Å; L473-L524 HydrophobicContact CG-CG 4.46Å; N474-L524 HydrophobicContact CB-CD1 4.04Å; L477-L524 HydrophobicContact CD1-CD1 3.59Å; A516-L524 HydrophobicContact CB-CB 4.3Å; A516-L524 HydrophobicContact CB-CD2 4.19Å; A516-L524 HydrophobicContact CB-CG 4.21Å; N521-L524 HydrophobicContact CB-CB 3.94Å; N521-L524 HydrophobicContact CB-CD2 4.48Å; N521-L524 VanDerWaalsContact CG-CB 3.41Å; N521-L524 WeakPolarHBondContact O-CB 3.32Å; N521-L524 PolarHBondContact O-N 3.33Å; N521-L524 VanDerWaalsContact O-N 3.17Å; N521-L524 WeakPolarHBondContact OD1-CB 3.44Å; N521-L524 PolarHBondContact OD1-N 3.13Å; N521-L524 VanDerWaalsContact OD1-N 3.15Å; V522-L524 VanDerWaalsContact C-N 3.32Å; V522-L524 PolarHBondContact O-N 3.01Å; L524-Q526 PolarHBondContact O-N 3.34Å; L524-K527 WeakPolarHBondContact O-CB 3.44Å; L524-K527 PolarHBondContact O-N 2.87Å; L524-K527 VanDerWaalsContact O-N 3.15Å; L524-I528 HydrophobicContact CG-CD1 4.21Å; L524-I528 VanDerWaalsContact O-CG1 3.27Å; L524-I528 WeakPolarHBondContact O-CG1 3.43Å; L524-I528 PolarHBondContact O-N 3.28Å
525	G	90.1	Very high	85	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.1	-46.9	173.5	0	0	0	0	0	113.1	N521 V522 K527 I528 H529	N521-G525 PolarHBondContact O-N 3.3Å; V522-G525 PolarHBondContact O-N 3.39Å; G525-K527 VanDerWaalsContact C-N 3.34Å; G525-K527 PolarHBondContact O-N 3.23Å; G525-I528 PolarHBondContact O-N 3.07Å; G525-H529 WeakPolarHBondContact O-CB 3.45Å; G525-H529 PolarHBondContact O-N 3.06Å
526	Q	90.7	Very high	83.9	Confident	72 Å²	72	49.7 Å²	49.7	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-42.6	174.5	-74.5	176.3	-17.3	0	0	112.1	V522 L524 H529 N530 M559	V522-Q526 WeakPolarHBondContact O-CG 3.47Å; V522-Q526 PolarHBondContact O-N 3.21Å; L524-Q526 PolarHBondContact O-N 3.34Å; Q526-H529 PolarHBondContact O-N 3.04Å; Q526-N530 WeakPolarHBondContact O-CB 3.47Å; Q526-N530 PolarHBondContact O-N 3.17Å; Q526-N530 PolarHBondContact O-ND2 3.44Å; Q526-N530 PolarHBondContact O-OD1 3.03Å; Q526-M559 HydrophobicContact CG-CE 3.99Å; Q526-M559 HydrophobicContact CG-SD 3.78Å
527	K	91	Very high	83	Confident	37 Å²	37	53.6 Å²	53.6	16%	0.161	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-46.3	178.4	-170.4	-176.3	-176.1	-171.8	0	112.1	N474 L477 N478 K523 L524 G525 H529 N530 L531	N474-K527 PolarHBondContact O-NZ 3.09Å; N474-K527 PolarHBondContact OD1-NZ 2.99Å; L477-K527 HydrophobicContact CB-CD 4.27Å; L477-K527 HydrophobicContact CD1-CD 4.26Å; N478-K527 PolarHBondContact OD1-NZ 3.37Å; K523-K527 PolarHBondContact O-N 3.36Å; L524-K527 WeakPolarHBondContact O-CB 3.44Å; L524-K527 PolarHBondContact O-N 2.87Å; L524-K527 VanDerWaalsContact O-N 3.15Å; G525-K527 VanDerWaalsContact C-N 3.34Å; G525-K527 PolarHBondContact O-N 3.23Å; K527-H529 VanDerWaalsContact C-N 3.27Å; K527-H529 PolarHBondContact O-N 2.95Å; K527-N530 PolarHBondContact O-N 3.43Å; K527-L531 WeakPolarHBondContact O-CG 3.37Å; K527-L531 PolarHBondContact O-N 3.15Å; K527-L531 VanDerWaalsContact O-N 3.12Å
528	I	91.8	Very high	82.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.7	-63.6	161.4	0	0	0	109.8	L473 L477 F509 A512 M513 A516 L524 G525 L531 Y551	L473-I528 HydrophobicContact CD2-CD1 4.19Å; L477-I528 HydrophobicContact CD1-CD1 4.33Å; L477-I528 HydrophobicContact CD1-CG1 3.49Å; L477-I528 VanDerWaalsContact CD1-CG1 3.49Å; L477-I528 HydrophobicContact CD2-CG1 4.16Å; L477-I528 HydrophobicContact CG-CG1 4.48Å; F509-I528 HydrophobicContact CD1-CG2 3.8Å; F509-I528 HydrophobicContact CE1-CG2 4.48Å; A512-I528 HydrophobicContact CB-CD1 3.94Å; A512-I528 HydrophobicContact CB-CG1 4.41Å; A512-I528 HydrophobicContact CB-CG2 4.44Å; A512-I528 WeakPolarHBondContact O-CD1 3.44Å; M513-I528 HydrophobicContact CE-CB 4.06Å; M513-I528 HydrophobicContact CE-CG2 3.94Å; A516-I528 HydrophobicContact CB-CD1 3.97Å; L524-I528 HydrophobicContact CG-CD1 4.21Å; L524-I528 VanDerWaalsContact O-CG1 3.27Å; L524-I528 WeakPolarHBondContact O-CG1 3.43Å; L524-I528 PolarHBondContact O-N 3.28Å; G525-I528 PolarHBondContact O-N 3.07Å; I528-L531 PolarHBondContact O-N 2.62Å; I528-Y551 HydrophobicContact CG2-CE2 4.28Å
529	H	91.1	Very high	82.2	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-42	-179.5	-163.7	88.1	0	0	0	113.2	G525 Q526 K527 L531 L532 I533 Y551 Y555 Y584	G525-H529 WeakPolarHBondContact O-CB 3.45Å; G525-H529 PolarHBondContact O-N 3.06Å; Q526-H529 PolarHBondContact O-N 3.04Å; K527-H529 VanDerWaalsContact C-N 3.27Å; K527-H529 PolarHBondContact O-N 2.95Å; H529-L531 VanDerWaalsContact C-N 3.28Å; H529-L531 PolarHBondContact O-N 3.43Å; H529-L532 PolarHBondContact O-N 3.13Å; H529-I533 WeakPolarHBondContact NE2-CD1 3.37Å; H529-I533 PolarHBondContact O-N 3.48Å; H529-Y551 WeakPolarHBondContact CA-OH 3.44Å; H529-Y551 AromaticContact ND1-CE1 3.63Å; H529-Y555 HydrophobicContact CB-CD2 3.91Å; H529-Y555 HydrophobicContact CB-CE1 4.47Å; H529-Y555 HydrophobicContact CB-CE2 3.46Å; H529-Y555 VanDerWaalsContact CB-CE2 3.46Å; H529-Y555 AromaticContact CD2-CZ 3.91Å; H529-Y555 AromaticContact CE1-CD1 3.78Å; H529-Y555 AromaticContact CE1-CE1 3.79Å; H529-Y555 AromaticContact CG-CE1 3.78Å; H529-Y555 AromaticContact CG-CE2 3.66Å; H529-Y555 AromaticContact CG-CZ 3.52Å; H529-Y555 AromaticContact ND1-CD1 3.54Å; H529-Y555 AromaticContact ND1-CD2 3.82Å; H529-Y555 AromaticContact ND1-CE1 3.62Å; H529-Y555 AromaticContact ND1-CE2 3.92Å; H529-Y555 AromaticContact ND1-CG 3.62Å; H529-Y555 AromaticContact ND1-CZ 3.81Å; H529-Y584 PolarHBondContact CD2-OH 3.04Å; H529-Y584 AromaticContact CE1-CE1 3.99Å; H529-Y584 AromaticContact CE1-CZ 3.83Å; H529-Y584 PolarHBondContact CE1-OH 3.43Å; H529-Y584 AromaticContact NE2-CZ 3.58Å; H529-Y584 PolarHBondContact NE2-OH 3.45Å
530	N	87.8	Confident	81.7	Confident	74 Å²	74	48.9 Å²	48.9	40%	0.396	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-34.3	178	-73.4	-13.4	0	0	0	112.2	Q526 K527 L532 I533 H534	Q526-N530 WeakPolarHBondContact O-CB 3.47Å; Q526-N530 PolarHBondContact O-N 3.17Å; Q526-N530 PolarHBondContact O-ND2 3.44Å; Q526-N530 PolarHBondContact O-OD1 3.03Å; K527-N530 PolarHBondContact O-N 3.43Å; N530-L532 PolarHBondContact O-N 2.94Å; N530-I533 PolarHBondContact O-N 2.94Å; N530-H534 HydrophobicContact CB-CB 4.15Å; N530-H534 WeakPolarHBondContact O-CB 3.4Å; N530-H534 PolarHBondContact O-N 3.35Å
531	L	86.1	Confident	81.3	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-26.8	174.4	-76.4	168.9	0	0	0	113.1	L477 E481 F509 K527 I528 H529 R538	L477-L531 HydrophobicContact CB-CD1 4.23Å; L477-L531 HydrophobicContact CD2-CD1 3.68Å; L477-L531 HydrophobicContact CG-CD1 4.46Å; E481-L531 HydrophobicContact CB-CD2 3.78Å; E481-L531 HydrophobicContact CG-CD2 3.83Å; F509-L531 HydrophobicContact CE1-CB 4.28Å; K527-L531 WeakPolarHBondContact O-CG 3.37Å; K527-L531 PolarHBondContact O-N 3.15Å; K527-L531 VanDerWaalsContact O-N 3.12Å; I528-L531 PolarHBondContact O-N 2.62Å; H529-L531 VanDerWaalsContact C-N 3.28Å; H529-L531 PolarHBondContact O-N 3.43Å; L531-R538 WeakPolarHBondContact O-CD 3.41Å; L531-R538 PolarHBondContact O-NH1 3.27Å
532	L	84.3	Confident	80.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-86.5	-32.4	177.7	-71.5	177.7	0	0	0	114.2	F509 H529 N530 R538 L541 L542 Y551	F509-L532 HydrophobicContact CB-CD1 4.16Å; F509-L532 HydrophobicContact CD1-CD1 3.72Å; F509-L532 HydrophobicContact CD1-CD2 3.77Å; F509-L532 HydrophobicContact CD1-CG 3.61Å; F509-L532 HydrophobicContact CD2-CD2 3.87Å; F509-L532 HydrophobicContact CE1-CD1 4.31Å; F509-L532 HydrophobicContact CE1-CD2 3.66Å; F509-L532 HydrophobicContact CE1-CG 3.67Å; F509-L532 HydrophobicContact CE2-CD2 3.78Å; F509-L532 HydrophobicContact CG-CD1 3.93Å; F509-L532 HydrophobicContact CG-CD2 3.88Å; F509-L532 HydrophobicContact CG-CG 4.1Å; F509-L532 HydrophobicContact CZ-CD2 3.67Å; F509-L532 HydrophobicContact CZ-CG 4.21Å; H529-L532 PolarHBondContact O-N 3.13Å; N530-L532 PolarHBondContact O-N 2.94Å; L532-R538 HydrophobicContact CD2-CB 4.27Å; L532-R538 PolarHBondContact O-N 2.68Å; L532-L541 HydrophobicContact CD2-CB 4.22Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; L532-L542 HydrophobicContact CD1-CD1 4.05Å; L532-L542 HydrophobicContact CD1-CG 4.45Å; L532-Y551 HydrophobicContact CD1-CE1 3.74Å; L532-Y551 HydrophobicContact CD1-CE2 4.15Å
533	I	78.7	Confident	79.6	Confident	76 Å²	76	44.2 Å²	44.2	39%	0.39	21%	0.213	S	C	.	.	H	α-helix	trans	-119.6	-28.3	-166.2	-51	-160.5	0	0	0	114.1	H529 N530 T539	H529-I533 WeakPolarHBondContact NE2-CD1 3.37Å; H529-I533 PolarHBondContact O-N 3.48Å; N530-I533 PolarHBondContact O-N 2.94Å; I533-T539 HydrophobicContact CD1-CG2 4.24Å; I533-T539 HydrophobicContact CG1-CG2 4.08Å
534	H	68.5	Low	78.3	Confident	121 Å²	121	37.6 Å²	37.6	56%	0.56	19%	0.186	S	C	*	.	S	Bend	trans	-74.1	-39.1	-159.5	-166	-75.2	0	0	0	115.3	N530	N530-H534 HydrophobicContact CB-CB 4.15Å; N530-H534 WeakPolarHBondContact O-CB 3.4Å; N530-H534 PolarHBondContact O-N 3.35Å
535	H	62.7	Low	76.8	Confident	118 Å²	118	40.1 Å²	40.1	55%	0.546	20%	0.199	S	C	.	.	S	Bend	trans	-110.3	-38.4	-175	-70.5	-64.4	0	0	0	113.6
536	E	64.9	Low	75.5	Confident	79 Å²	79	46.4 Å²	46.4	37%	0.369	22%	0.223	S	C	.	.	S	Bend	trans	-141.8	141.1	175.2	-66.5	-179.1	-171.5	0	0	106.3	S494 R538	S494-E536 WeakPolarHBondContact CB-OE2 3.33Å; S494-E536 VanDerWaalsContact OG-CD 3.32Å; S494-E536 PolarHBondContact OG-OE2 2.83Å; E536-R538 VanDerWaalsContact C-N 3.33Å; E536-R538 HydrophobicContact CB-CG 4.33Å; E536-R538 PolarHBondContact O-N 2.88Å
537	D	69	Low	74.5	Confident	83 Å²	83	44.2 Å²	44.2	44%	0.444	21%	0.213	S	C	.	.			trans	-71.4	93.3	175	-176.6	0.1	0	0	0	109.4	P63 T539	P63-D537 HydrophobicContact CG-CB 4.32Å; D537-T539 VanDerWaalsContact C-N 3.28Å; D537-T539 WeakPolarHBondContact OD1-CB 2.79Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.23Å; D537-T539 PolarHBondContact OD1-N 3.49Å; D537-T539 PolarHBondContact OD1-OG1 3.19Å; D537-T539 PolarHBondContact OD2-OG1 3.44Å
538	R	76.1	Confident	73.8	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.011	22%	0.218	C	C	.	.			trans	-93.4	16.2	175.6	-59.2	174.2	-170.9	131.5	-2.9	111.5	S494 P495 L531 L532 E536 F540 L541	S494-R538 PolarHBondContact OG-NE 2.93Å; S494-R538 PolarHBondContact OG-NH2 2.9Å; P495-R538 HydrophobicContact CG-CG 4.17Å; L531-R538 WeakPolarHBondContact O-CD 3.41Å; L531-R538 PolarHBondContact O-NH1 3.27Å; L532-R538 HydrophobicContact CD2-CB 4.27Å; L532-R538 PolarHBondContact O-N 2.68Å; E536-R538 VanDerWaalsContact C-N 3.33Å; E536-R538 HydrophobicContact CB-CG 4.33Å; E536-R538 PolarHBondContact O-N 2.88Å; R538-F540 HydrophobicContact CB-CE1 4.12Å; R538-F540 HydrophobicContact CB-CZ 4.47Å; R538-F540 HydrophobicContact CG-CE1 4.25Å; R538-F540 PolarHBondContact O-N 3.06Å; R538-L541 HydrophobicContact CB-CD1 4.27Å; R538-L541 WeakPolarHBondContact O-CB 3.25Å; R538-L541 PolarHBondContact O-N 3.25Å
539	T	74.8	Confident	73	Confident	15 Å²	15	50.4 Å²	50.4	9%	0.092	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.7	-8.4	177.3	66	0	0	0	0	113.2	I533 D537 L541 L542 K548	I533-T539 HydrophobicContact CD1-CG2 4.24Å; I533-T539 HydrophobicContact CG1-CG2 4.08Å; D537-T539 VanDerWaalsContact C-N 3.28Å; D537-T539 WeakPolarHBondContact OD1-CB 2.79Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.23Å; D537-T539 PolarHBondContact OD1-N 3.49Å; D537-T539 PolarHBondContact OD1-OG1 3.19Å; D537-T539 PolarHBondContact OD2-OG1 3.44Å; T539-L541 PolarHBondContact O-N 3.05Å; T539-L542 WeakPolarHBondContact O-CA 3.47Å; T539-L542 WeakPolarHBondContact O-CB 3.31Å; T539-L542 PolarHBondContact O-N 3.37Å; T539-K548 PolarHBondContact OG1-NZ 3.01Å
540	F	70.8	Confident	72.4	Confident	26 Å²	26	52.6 Å²	52.6	11%	0.114	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.7	166.7	69.1	-99.3	0	0	0	113.5	P495 R497 W501 R538 L542	P495-F540 HydrophobicContact CB-CE2 4.47Å; P495-F540 HydrophobicContact CB-CZ 3.95Å; P495-F540 HydrophobicContact CG-CZ 4.34Å; P495-F540 VanDerWaalsContact O-CZ 3.22Å; P495-F540 WeakPolarHBondContact O-CZ 3.4Å; R497-F540 HydrophobicContact CB-CB 4.32Å; R497-F540 HydrophobicContact CB-CD1 4.37Å; R497-F540 HydrophobicContact CB-CD2 4.26Å; R497-F540 HydrophobicContact CB-CG 4.06Å; R497-F540 HydrophobicContact CG-CB 4.21Å; R497-F540 HydrophobicContact CG-CG 4.44Å; W501-F540 HydrophobicContact CZ2-CE2 4.45Å; W501-F540 AromaticContact NE1-CE2 3.62Å; R538-F540 HydrophobicContact CB-CE1 4.12Å; R538-F540 HydrophobicContact CB-CZ 4.47Å; R538-F540 HydrophobicContact CG-CE1 4.25Å; R538-F540 PolarHBondContact O-N 3.06Å; F540-L542 PolarHBondContact O-N 2.95Å
541	L	75.4	Confident	72.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-70.6	-5	169.6	-65	171.5	0	0	0	112.5	L418 F484 W501 Y506 F509 L532 R538 T539 P543	L418-L541 HydrophobicContact CD1-CD2 4.5Å; F484-L541 HydrophobicContact CE2-CD1 4.44Å; F484-L541 HydrophobicContact CZ-CD1 4.33Å; W501-L541 HydrophobicContact CD2-CD2 3.82Å; W501-L541 HydrophobicContact CE3-CD2 4.09Å; W501-L541 HydrophobicContact CG-CD2 4.35Å; W501-L541 HydrophobicContact CH2-CD2 4.36Å; W501-L541 HydrophobicContact CZ2-CD2 4.12Å; W501-L541 HydrophobicContact CZ3-CD2 4.33Å; Y506-L541 WeakPolarHBondContact CD1-O 3.47Å; F509-L541 HydrophobicContact CD2-CB 4.16Å; F509-L541 HydrophobicContact CD2-CD1 4.36Å; F509-L541 HydrophobicContact CE2-CB 4.16Å; F509-L541 HydrophobicContact CE2-CD1 3.53Å; F509-L541 HydrophobicContact CE2-CG 4.43Å; F509-L541 HydrophobicContact CZ-CD1 4.15Å; L532-L541 HydrophobicContact CD2-CB 4.22Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; R538-L541 HydrophobicContact CB-CD1 4.27Å; R538-L541 WeakPolarHBondContact O-CB 3.25Å; R538-L541 PolarHBondContact O-N 3.25Å; T539-L541 PolarHBondContact O-N 3.05Å; L541-P543 WeakPolarHBondContact O-CD 3.44Å
542	L	75.1	Confident	72.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	-106.3	84.9	164.7	-56.3	170.5	0	0	0	106.7	F509 P510 L532 T539 F540 N544 M547 K548 Y551	F509-L542 HydrophobicContact CB-CD2 4.33Å; P510-L542 HydrophobicContact CG-CD2 4.22Å; L532-L542 HydrophobicContact CD1-CD1 4.05Å; L532-L542 HydrophobicContact CD1-CG 4.45Å; T539-L542 WeakPolarHBondContact O-CA 3.47Å; T539-L542 WeakPolarHBondContact O-CB 3.31Å; T539-L542 PolarHBondContact O-N 3.37Å; F540-L542 PolarHBondContact O-N 2.95Å; L542-N544 PolarHBondContact O-N 3.36Å; L542-M547 HydrophobicContact CD2-CE 4.09Å; L542-M547 HydrophobicContact CD2-CG 4.36Å; L542-K548 HydrophobicContact CB-CB 3.98Å; L542-K548 HydrophobicContact CB-CG 4.5Å; L542-K548 HydrophobicContact CD1-CB 4.29Å; L542-K548 HydrophobicContact CD1-CG 4.1Å; L542-Y551 HydrophobicContact CD1-CD1 3.59Å; L542-Y551 HydrophobicContact CD1-CE1 4.18Å; L542-Y551 HydrophobicContact CD1-CG 3.89Å; L542-Y551 HydrophobicContact CD2-CD2 4.31Å; L542-Y551 HydrophobicContact CD2-CG 4.07Å
543	P	62.5	Low	72.7	Confident	32 Å²	32	52 Å²	52	21%	0.208	25%	0.248	C	C	.	.			trans	-70.8	-6.7	-160	31.7	-41.1	0	0	0	114.3	Y215 Y506 L541 M547	Y215-P543 WeakPolarHBondContact CD2-O 3.5Å; Y215-P543 WeakPolarHBondContact CE2-O 3.45Å; Y506-P543 HydrophobicContact CD1-CB 3.94Å; Y506-P543 HydrophobicContact CD1-CG 3.83Å; Y506-P543 HydrophobicContact CD2-CB 3.99Å; Y506-P543 HydrophobicContact CD2-CG 3.72Å; Y506-P543 HydrophobicContact CE1-CB 3.88Å; Y506-P543 HydrophobicContact CE1-CG 4.3Å; Y506-P543 HydrophobicContact CE2-CB 3.97Å; Y506-P543 HydrophobicContact CE2-CG 4.22Å; Y506-P543 HydrophobicContact CG-CB 3.99Å; Y506-P543 HydrophobicContact CG-CG 3.51Å; L541-P543 WeakPolarHBondContact O-CD 3.44Å; P543-M547 HydrophobicContact CG-SD 4Å
544	N	61.6	Low	73.2	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-146.5	158.9	175.6	68.1	60.1	0	0	0	110.8	L542 R546 M547 K548	L542-N544 PolarHBondContact O-N 3.36Å; N544-R546 VanDerWaalsContact C-N 3.27Å; N544-R546 PolarHBondContact O-N 2.91Å; N544-R546 WeakPolarHBondContact OD1-CB 3.46Å; N544-R546 PolarHBondContact OD1-N 3.23Å; N544-R546 VanDerWaalsContact OD1-N 3.1Å; N544-M547 PolarHBondContact O-N 3.15Å; N544-M547 VanDerWaalsContact OD1-CB 3.28Å; N544-M547 WeakPolarHBondContact OD1-CB 3.38Å; N544-M547 PolarHBondContact OD1-N 3.49Å; N544-K548 PolarHBondContact O-N 3.28Å
545	I	60	Low	74.3	Confident	58 Å²	58	44.4 Å²	44.4	30%	0.297	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-31.4	-177.3	-163.1	111.5	0	0	0	113.4	R219 R549	R219-I545 HydrophobicContact CG-CG2 3.89Å; I545-R549 VanDerWaalsContact O-CB 3.23Å; I545-R549 WeakPolarHBondContact O-CB 3.49Å; I545-R549 PolarHBondContact O-N 3.26Å
546	R	63.5	Low	75.6	Confident	131 Å²	131	38.8 Å²	38.8	49%	0.494	19%	0.185	S	C	.	.	H	α-helix	trans	-67.6	-47.7	-179.3	-179.8	179.8	177.5	178.2	-1.2	109.3	N544 R549 S550	N544-R546 VanDerWaalsContact C-N 3.27Å; N544-R546 PolarHBondContact O-N 2.91Å; N544-R546 WeakPolarHBondContact OD1-CB 3.46Å; N544-R546 PolarHBondContact OD1-N 3.23Å; N544-R546 VanDerWaalsContact OD1-N 3.1Å; R546-R549 PolarHBondContact O-N 2.81Å; R546-S550 WeakPolarHBondContact O-CB 3.35Å; R546-S550 PolarHBondContact O-N 2.97Å
547	M	68	Low	76.9	Confident	26 Å²	26	39 Å²	39	13%	0.128	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-41.9	177.5	-173	166.9	155.5	0	0	111.6	Y506 M507 P510 L542 P543 N544 R549 S550 Y551	Y506-M547 WeakPolarHBondContact O-CE 3.44Å; M507-M547 HydrophobicContact SD-CE 4.44Å; P510-M547 HydrophobicContact CG-CE 3.29Å; P510-M547 HydrophobicContact CG-CG 3.99Å; P510-M547 HydrophobicContact CG-SD 4.34Å; L542-M547 HydrophobicContact CD2-CE 4.09Å; L542-M547 HydrophobicContact CD2-CG 4.36Å; P543-M547 HydrophobicContact CG-SD 4Å; N544-M547 PolarHBondContact O-N 3.15Å; N544-M547 VanDerWaalsContact OD1-CB 3.28Å; N544-M547 WeakPolarHBondContact OD1-CB 3.38Å; N544-M547 PolarHBondContact OD1-N 3.49Å; M547-R549 PolarHBondContact O-N 3.44Å; M547-S550 PolarHBondContact O-N 3.38Å; M547-Y551 VanDerWaalsContact O-CB 3.23Å; M547-Y551 WeakPolarHBondContact O-CB 3.23Å; M547-Y551 PolarHBondContact O-N 3.5Å
548	K	77.5	Confident	77.9	Confident	64 Å²	64	35.1 Å²	35.1	28%	0.278	16%	0.164	S	C	.	.	H	α-helix	trans	-59.8	-46.1	172.5	-175.7	170.8	179.9	168.8	0	111.7	T539 L542 N544 Y551 L552	T539-K548 PolarHBondContact OG1-NZ 3.01Å; L542-K548 HydrophobicContact CB-CB 3.98Å; L542-K548 HydrophobicContact CB-CG 4.5Å; L542-K548 HydrophobicContact CD1-CB 4.29Å; L542-K548 HydrophobicContact CD1-CG 4.1Å; N544-K548 PolarHBondContact O-N 3.28Å; K548-Y551 PolarHBondContact O-N 3.12Å; K548-L552 HydrophobicContact CG-CD1 4.09Å; K548-L552 HydrophobicContact CG-CG 4.49Å; K548-L552 WeakPolarHBondContact O-CB 3.38Å; K548-L552 VanDerWaalsContact O-CG 3.25Å; K548-L552 WeakPolarHBondContact O-CG 3.32Å; K548-L552 PolarHBondContact O-N 3.31Å
549	R	74.4	Confident	78.5	Confident	104 Å²	104	35.4 Å²	35.4	39%	0.392	17%	0.166	S	C	.	.	H	α-helix	trans	-67.2	-41.1	179.2	-172.1	174.6	-177.4	168.2	1.5	112.3	I545 R546 M547 L552 H553	I545-R549 VanDerWaalsContact O-CB 3.23Å; I545-R549 WeakPolarHBondContact O-CB 3.49Å; I545-R549 PolarHBondContact O-N 3.26Å; R546-R549 PolarHBondContact O-N 2.81Å; M547-R549 PolarHBondContact O-N 3.44Å; R549-L552 PolarHBondContact O-N 3.34Å; R549-H553 VanDerWaalsContact O-CB 3.3Å; R549-H553 WeakPolarHBondContact O-CB 3.41Å; R549-H553 PolarHBondContact O-N 3.2Å
550	S	79.6	Confident	79.2	Confident	50 Å²	50	34.7 Å²	34.7	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-60.9	-49.8	175	-165.1	0	0	0	0	110.6	R546 M547 L552 H553 D554	R546-S550 WeakPolarHBondContact O-CB 3.35Å; R546-S550 PolarHBondContact O-N 2.97Å; M547-S550 PolarHBondContact O-N 3.38Å; S550-L552 PolarHBondContact O-N 3.48Å; S550-H553 WeakPolarHBondContact O-CB 3.14Å; S550-H553 PolarHBondContact O-N 3.3Å; S550-H553 VanDerWaalsContact O-N 3.14Å; S550-D554 PolarHBondContact O-N 2.98Å
551	Y	88.2	Confident	79.9	Confident	3 Å²	3	35.7 Å²	35.7	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-46	176.1	171.8	-91.4	0	0	0	112.3	F509 M513 I528 H529 L532 L542 M547 K548 H553 D554 Y555	F509-Y551 HydrophobicContact CB-CD2 4.38Å; F509-Y551 HydrophobicContact CB-CE2 4.06Å; M513-Y551 HydrophobicContact CB-CD2 3.97Å; M513-Y551 HydrophobicContact CB-CE2 3.76Å; M513-Y551 HydrophobicContact CE-CE2 3.68Å; M513-Y551 VanDerWaalsContact CE-OH 3.26Å; M513-Y551 WeakPolarHBondContact CE-OH 3.47Å; M513-Y551 HydrophobicContact CG-CD2 4.34Å; M513-Y551 HydrophobicContact CG-CE2 4.15Å; I528-Y551 HydrophobicContact CG2-CE2 4.28Å; H529-Y551 WeakPolarHBondContact CA-OH 3.44Å; H529-Y551 AromaticContact ND1-CE1 3.63Å; L532-Y551 HydrophobicContact CD1-CE1 3.74Å; L532-Y551 HydrophobicContact CD1-CE2 4.15Å; L542-Y551 HydrophobicContact CD1-CD1 3.59Å; L542-Y551 HydrophobicContact CD1-CE1 4.18Å; L542-Y551 HydrophobicContact CD1-CG 3.89Å; L542-Y551 HydrophobicContact CD2-CD2 4.31Å; L542-Y551 HydrophobicContact CD2-CG 4.07Å; M547-Y551 VanDerWaalsContact O-CB 3.23Å; M547-Y551 WeakPolarHBondContact O-CB 3.23Å; M547-Y551 PolarHBondContact O-N 3.5Å; K548-Y551 PolarHBondContact O-N 3.12Å; Y551-H553 VanDerWaalsContact C-N 3.33Å; Y551-D554 PolarHBondContact O-N 3.01Å; Y551-Y555 WeakPolarHBondContact O-CB 3.25Å; Y551-Y555 PolarHBondContact O-N 3.4Å
552	L	88.5	Confident	79.9	Confident	18 Å²	18	37 Å²	37	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-35	177.7	-71.9	175.8	0	0	0	112.1	K548 R549 S550 C556 Y584 V587	K548-L552 HydrophobicContact CG-CD1 4.09Å; K548-L552 HydrophobicContact CG-CG 4.49Å; K548-L552 WeakPolarHBondContact O-CB 3.38Å; K548-L552 VanDerWaalsContact O-CG 3.25Å; K548-L552 WeakPolarHBondContact O-CG 3.32Å; K548-L552 PolarHBondContact O-N 3.31Å; R549-L552 PolarHBondContact O-N 3.34Å; S550-L552 PolarHBondContact O-N 3.48Å; L552-C556 WeakPolarHBondContact O-CB 3.03Å; L552-C556 PolarHBondContact O-N 3.09Å; L552-C556 PolarHBondContact O-SG 3.36Å; L552-Y584 HydrophobicContact CD2-CD1 3.88Å; L552-Y584 HydrophobicContact CD2-CE1 3.72Å; L552-V587 HydrophobicContact CB-CG1 4.41Å; L552-V587 HydrophobicContact CB-CG2 4.1Å; L552-V587 HydrophobicContact CD1-CG2 4.15Å
553	H	88	Confident	79.6	Confident	50 Å²	50	38.9 Å²	38.9	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-49.1	174.8	-175	-80.9	0	0	0	111	R549 S550 Y551 Y555 C556 K557 V587 S591 L594	R549-H553 VanDerWaalsContact O-CB 3.3Å; R549-H553 WeakPolarHBondContact O-CB 3.41Å; R549-H553 PolarHBondContact O-N 3.2Å; S550-H553 WeakPolarHBondContact O-CB 3.14Å; S550-H553 PolarHBondContact O-N 3.3Å; S550-H553 VanDerWaalsContact O-N 3.14Å; Y551-H553 VanDerWaalsContact C-N 3.33Å; H553-Y555 VanDerWaalsContact C-N 3.34Å; H553-Y555 PolarHBondContact O-N 3.47Å; H553-C556 PolarHBondContact O-N 3.16Å; H553-K557 WeakPolarHBondContact O-CB 3.33Å; H553-K557 PolarHBondContact O-N 2.91Å; H553-V587 HydrophobicContact CB-CG1 4.36Å; H553-S591 PolarHBondContact NE2-OG 3.49Å; H553-S591 VanDerWaalsContact NE2-OG 3.09Å; H553-L594 VanDerWaalsContact CD2-CD1 3.46Å; H553-L594 WeakPolarHBondContact CD2-CD1 3.26Å
554	D	87.7	Confident	79.7	Confident	29 Å²	29	43.1 Å²	43.1	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-42.7	176.8	-66.5	-30	0	0	0	111.6	M513 M517 S550 Y551 K557 L558	M513-D554 HydrophobicContact CG-CB 3.96Å; M517-D554 HydrophobicContact SD-CB 4.15Å; S550-D554 PolarHBondContact O-N 2.98Å; Y551-D554 PolarHBondContact O-N 3.01Å; D554-K557 WeakPolarHBondContact O-CB 3.4Å; D554-K557 PolarHBondContact O-N 3.29Å; D554-L558 PolarHBondContact O-N 3.49Å
555	Y	92.1	Very high	79.7	Confident	8 Å²	8	45.2 Å²	45.2	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.9	174.6	176.4	-110.6	0	0	0	111.9	M513 H529 Y551 H553 K557 L558 M559 Y584	M513-Y555 HydrophobicContact CE-CD2 3.56Å; M513-Y555 HydrophobicContact CE-CE2 4.48Å; M513-Y555 HydrophobicContact CE-CG 4.18Å; M513-Y555 HydrophobicContact SD-CD2 3.97Å; H529-Y555 HydrophobicContact CB-CD2 3.91Å; H529-Y555 HydrophobicContact CB-CE1 4.47Å; H529-Y555 HydrophobicContact CB-CE2 3.46Å; H529-Y555 VanDerWaalsContact CB-CE2 3.46Å; H529-Y555 AromaticContact CD2-CZ 3.91Å; H529-Y555 AromaticContact CE1-CD1 3.78Å; H529-Y555 AromaticContact CE1-CE1 3.79Å; H529-Y555 AromaticContact CG-CE1 3.78Å; H529-Y555 AromaticContact CG-CE2 3.66Å; H529-Y555 AromaticContact CG-CZ 3.52Å; H529-Y555 AromaticContact ND1-CD1 3.54Å; H529-Y555 AromaticContact ND1-CD2 3.82Å; H529-Y555 AromaticContact ND1-CE1 3.62Å; H529-Y555 AromaticContact ND1-CE2 3.92Å; H529-Y555 AromaticContact ND1-CG 3.62Å; H529-Y555 AromaticContact ND1-CZ 3.81Å; Y551-Y555 WeakPolarHBondContact O-CB 3.25Å; Y551-Y555 PolarHBondContact O-N 3.4Å; H553-Y555 VanDerWaalsContact C-N 3.34Å; H553-Y555 PolarHBondContact O-N 3.47Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.45Å; Y555-L558 PolarHBondContact O-N 3.49Å; Y555-M559 HydrophobicContact CD1-CG 4.41Å; Y555-M559 HydrophobicContact CD2-CG 4.08Å; Y555-M559 HydrophobicContact CE1-CG 4.07Å; Y555-M559 HydrophobicContact CE2-CG 3.7Å; Y555-M559 HydrophobicContact CE2-SD 4.01Å; Y555-M559 HydrophobicContact CG-CG 4.44Å; Y555-M559 WeakPolarHBondContact O-CB 3.29Å; Y555-M559 WeakPolarHBondContact O-CG 3.46Å; Y555-M559 PolarHBondContact O-N 2.97Å; Y555-Y584 HydrophobicContact CD1-CE2 4.12Å; Y555-Y584 HydrophobicContact CE1-CD2 4.33Å; Y555-Y584 AromaticContact CE1-CE2 3.56Å; Y555-Y584 HydrophobicContact CE1-CE2 3.56Å; Y555-Y584 AromaticContact CE1-CZ 3.8Å
556	C	90.6	Very high	79.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.9	-69.2	0	0	0	0	111.3	L552 H553 M559 I560 T580 Y584 V588 L594	L552-C556 WeakPolarHBondContact O-CB 3.03Å; L552-C556 PolarHBondContact O-N 3.09Å; L552-C556 PolarHBondContact O-SG 3.36Å; H553-C556 PolarHBondContact O-N 3.16Å; C556-M559 PolarHBondContact O-N 3.41Å; C556-I560 HydrophobicContact CB-CD1 4.43Å; C556-I560 VanDerWaalsContact O-CB 3.3Å; C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CG1 3.32Å; C556-I560 PolarHBondContact O-N 2.95Å; C556-T580 HydrophobicContact CB-CG2 4.22Å; C556-Y584 VanDerWaalsContact SG-CB 3.6Å; C556-V588 HydrophobicContact CB-CG2 4.19Å; C556-L594 HydrophobicContact CB-CD1 3.79Å; C556-L594 HydrophobicContact CB-CD2 4.36Å
557	K	90.5	Very high	79.7	Confident	84 Å²	84	38.5 Å²	38.5	37%	0.365	19%	0.192	S	C	.	.	H	α-helix	trans	-58.1	-50.4	176.3	-171.5	171.5	172	-175.5	0	110.8	M517 H553 D554 Y555 M559 I560 Q561 L594	M517-K557 HydrophobicContact SD-CB 4.22Å; M517-K557 HydrophobicContact SD-CD 3.75Å; M517-K557 HydrophobicContact SD-CG 4.16Å; H553-K557 WeakPolarHBondContact O-CB 3.33Å; H553-K557 PolarHBondContact O-N 2.91Å; D554-K557 WeakPolarHBondContact O-CB 3.4Å; D554-K557 PolarHBondContact O-N 3.29Å; Y555-K557 VanDerWaalsContact C-N 3.31Å; Y555-K557 PolarHBondContact O-N 3.45Å; K557-M559 PolarHBondContact O-N 3.4Å; K557-I560 PolarHBondContact O-N 2.94Å; K557-Q561 VanDerWaalsContact O-CG 3.24Å; K557-Q561 WeakPolarHBondContact O-CG 3.28Å; K557-Q561 PolarHBondContact O-N 2.95Å; K557-L594 HydrophobicContact CB-CD2 3.76Å; K557-L594 HydrophobicContact CG-CD2 4.35Å
558	L	90.1	Very high	79.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-43.2	176.1	174.5	57.7	0	0	0	112.3	M513 A516 M517 V522 D554 Y555 I560	M513-L558 HydrophobicContact SD-CD2 4.11Å; A516-L558 HydrophobicContact CB-CD2 4.01Å; M517-L558 HydrophobicContact CG-CB 4.48Å; V522-L558 HydrophobicContact CG2-CD1 4.1Å; D554-L558 PolarHBondContact O-N 3.49Å; Y555-L558 PolarHBondContact O-N 3.49Å; L558-I560 PolarHBondContact O-N 3.21Å
559	M	90.3	Very high	79.4	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-30.4	-177.8	-69.1	-67.6	-75.3	0	0	113.3	V522 Q526 Y555 C556 K557 R576 F577 T580	V522-M559 HydrophobicContact CG1-SD 3.75Å; Q526-M559 HydrophobicContact CG-CE 3.99Å; Q526-M559 HydrophobicContact CG-SD 3.78Å; Y555-M559 HydrophobicContact CD1-CG 4.41Å; Y555-M559 HydrophobicContact CD2-CG 4.08Å; Y555-M559 HydrophobicContact CE1-CG 4.07Å; Y555-M559 HydrophobicContact CE2-CG 3.7Å; Y555-M559 HydrophobicContact CE2-SD 4.01Å; Y555-M559 HydrophobicContact CG-CG 4.44Å; Y555-M559 WeakPolarHBondContact O-CB 3.29Å; Y555-M559 WeakPolarHBondContact O-CG 3.46Å; Y555-M559 PolarHBondContact O-N 2.97Å; C556-M559 PolarHBondContact O-N 3.41Å; K557-M559 PolarHBondContact O-N 3.4Å; M559-R576 HydrophobicContact CE-CG 3.64Å; M559-R576 PolarHBondContact O-NE 3.15Å; M559-R576 HydrophobicContact SD-CG 4.46Å; M559-F577 WeakPolarHBondContact O-CD1 3.36Å; M559-F577 WeakPolarHBondContact O-CE1 3.48Å; M559-T580 HydrophobicContact CB-CG2 3.9Å; M559-T580 WeakPolarHBondContact CB-OG1 3.28Å
560	I	88.9	Confident	79.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-87.1	-22	179.6	-64.7	170.5	0	0	0	111.6	C556 K557 L558 F577 T580 V588 L594 T597 L598 N601	C556-I560 HydrophobicContact CB-CD1 4.43Å; C556-I560 VanDerWaalsContact O-CB 3.3Å; C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CG1 3.32Å; C556-I560 PolarHBondContact O-N 2.95Å; K557-I560 PolarHBondContact O-N 2.94Å; L558-I560 PolarHBondContact O-N 3.21Å; I560-F577 WeakPolarHBondContact O-CE1 3.43Å; I560-F577 WeakPolarHBondContact O-CZ 3.36Å; I560-T580 HydrophobicContact CD1-CG2 4.44Å; I560-T580 HydrophobicContact CG1-CG2 4.24Å; I560-V588 HydrophobicContact CD1-CG1 4.3Å; I560-V588 HydrophobicContact CD1-CG2 4.1Å; I560-L594 HydrophobicContact CD1-CB 4.47Å; I560-T597 HydrophobicContact CG2-CG2 4.08Å; I560-L598 HydrophobicContact CD1-CB 4.39Å; I560-L598 HydrophobicContact CD1-CD1 4.49Å; I560-L598 HydrophobicContact CG1-CD1 4.26Å; I560-L598 HydrophobicContact CG2-CB 3.84Å; I560-L598 HydrophobicContact CG2-CD1 3.98Å; I560-N601 PolarHBondContact O-ND2 3.26Å
561	Q	84.3	Confident	79.8	Confident	47 Å²	47	38.2 Å²	38.2	22%	0.22	20%	0.195	C	C	.	.			trans	-57.7	142.4	176.8	-86.4	167.5	-22.9	0	0	112.2	L520 K557 R576	L520-Q561 HydrophobicContact CD2-CB 4.47Å; L520-Q561 HydrophobicContact CD2-CG 4.38Å; K557-Q561 VanDerWaalsContact O-CG 3.24Å; K557-Q561 WeakPolarHBondContact O-CG 3.28Å; K557-Q561 PolarHBondContact O-N 2.95Å; Q561-R576 PolarHBondContact O-NH2 2.88Å
562	L	76.1	Confident	79.6	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.136	22%	0.22	C	C	.	.			trans	-109	109.7	-177.3	-179.2	77.3	0	0	0	109.8	L567 L573 F577 R604	L562-L567 HydrophobicContact CD1-CD2 4.23Å; L562-L567 HydrophobicContact CD2-CD2 4.49Å; L562-L573 HydrophobicContact CD1-CD1 4.07Å; L562-L573 HydrophobicContact CD1-CD2 3.32Å; L562-L573 HydrophobicContact CD1-CG 4.26Å; L562-F577 HydrophobicContact CD1-CZ 4.34Å; L562-R604 HydrophobicContact CD2-CG 4.36Å
563	N	69.1	Low	79.5	Confident	43 Å²	43	42.9 Å²	42.9	23%	0.23	22%	0.217	C	C	.	.			trans	-89.6	144.8	169.9	-75.6	-17.1	0	0	0	110.8	L520 S565 D566	L520-N563 WeakPolarHBondContact CD1-OD1 3.25Å; L520-N563 PolarHBondContact O-ND2 3.11Å; N563-S565 WeakPolarHBondContact CB-OG 3.28Å; N563-S565 PolarHBondContact O-N 2.83Å; N563-S565 VanDerWaalsContact O-N 3.16Å; N563-D566 WeakPolarHBondContact O-CB 3.5Å; N563-D566 PolarHBondContact O-N 3.34Å
564	E	64.9	Low	79.4	Confident	120 Å²	120	40.7 Å²	40.7	56%	0.561	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-60.5	-27.3	179.5	-65.2	-169.9	160.3	0	0	112.8	M447 D566 L567	M447-E564 HydrophobicContact CE-CG 4.22Å; E564-D566 VanDerWaalsContact C-N 3.26Å; E564-D566 PolarHBondContact O-N 3.13Å; E564-L567 WeakPolarHBondContact O-CB 3Å; E564-L567 PolarHBondContact O-N 3.43Å
565	S	60.3	Low	79.4	Confident	78 Å²	78	45 Å²	45	55%	0.545	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-61.5	-32.1	172.8	51.8	0	0	0	0	113.2	N563 L567	N563-S565 WeakPolarHBondContact CB-OG 3.28Å; N563-S565 PolarHBondContact O-N 2.83Å; N563-S565 VanDerWaalsContact O-N 3.16Å; S565-L567 PolarHBondContact O-N 3.49Å
566	D	60.7	Low	79.2	Confident	34 Å²	34	46.2 Å²	46.2	18%	0.182	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-75.2	-16	-173.6	-62.9	0.7	0	0	0	111.6	N563 E564 N568 E569 L573 R576	N563-D566 WeakPolarHBondContact O-CB 3.5Å; N563-D566 PolarHBondContact O-N 3.34Å; E564-D566 VanDerWaalsContact C-N 3.26Å; E564-D566 PolarHBondContact O-N 3.13Å; D566-N568 PolarHBondContact O-N 2.87Å; D566-E569 PolarHBondContact O-N 2.93Å; D566-E569 VanDerWaalsContact O-N 3.07Å; D566-L573 HydrophobicContact CB-CD1 4.05Å; D566-L573 HydrophobicContact CB-CD2 4.45Å; D566-R576 IonicContact OD2-CZ 3.77Å; D566-R576 IonicContact OD2-NH1 3.75Å; D566-R576 PolarHBondContact OD2-NH1 3.3Å; D566-R576 IonicContact OD2-NH2 3.88Å; D566-R576 PolarHBondContact OD2-NH2 3.36Å
567	L	64.7	Low	79.3	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66.7	-6.1	178.4	-63.6	177.6	0	0	0	113.9	L562 E564 S565 F570 L608	L562-L567 HydrophobicContact CD1-CD2 4.23Å; L562-L567 HydrophobicContact CD2-CD2 4.49Å; E564-L567 WeakPolarHBondContact O-CB 3Å; E564-L567 PolarHBondContact O-N 3.43Å; S565-L567 PolarHBondContact O-N 3.49Å; L567-F570 HydrophobicContact CD2-CE1 4.06Å; L567-F570 HydrophobicContact CD2-CZ 4.41Å; L567-L608 HydrophobicContact CD1-CD1 4.1Å; L567-L608 HydrophobicContact CD2-CD1 3.53Å; L567-L608 HydrophobicContact CG-CD1 4.45Å
568	N	62.9	Low	79.2	Confident	81 Å²	81	43.3 Å²	43.3	43%	0.433	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-85	-11.8	173.9	-66.5	-27.6	0	0	0	113	D566 Y626	D566-N568 PolarHBondContact O-N 2.87Å; N568-Y626 PolarHBondContact O-OH 3.28Å
569	E	75.8	Confident	79.2	Confident	89 Å²	89	46.2 Å²	46.2	42%	0.416	24%	0.237	S	C	.	.			trans	-140.4	61.5	-174.9	-62.7	-167.8	157.4	0	0	112	D566 N571 Q572 L573	D566-E569 PolarHBondContact O-N 2.93Å; D566-E569 VanDerWaalsContact O-N 3.07Å; E569-N571 VanDerWaalsContact C-N 3.26Å; E569-N571 PolarHBondContact O-N 3.32Å; E569-N571 VanDerWaalsContact O-N 3.1Å; E569-Q572 HydrophobicContact CB-CB 4.4Å; E569-Q572 PolarHBondContact O-N 2.79Å; E569-Q572 VanDerWaalsContact O-N 3.08Å; E569-Q572 PolarHBondContact OE2-NE2 3.05Å; E569-Q572 PolarHBondContact OE2-OE1 3.28Å; E569-L573 PolarHBondContact O-N 3.03Å
570	F	80.5	Confident	79.1	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-47	-42.7	-178.4	-74.7	-70.5	0	0	0	114.4	L567 Q572 L573 I574 I605 L608 Y612 Y626 I634	L567-F570 HydrophobicContact CD2-CE1 4.06Å; L567-F570 HydrophobicContact CD2-CZ 4.41Å; F570-Q572 PolarHBondContact O-N 2.86Å; F570-L573 PolarHBondContact O-N 2.78Å; F570-I574 HydrophobicContact CB-CD1 4.35Å; F570-I574 WeakPolarHBondContact O-CB 3.41Å; F570-I574 WeakPolarHBondContact O-CD1 3.46Å; F570-I574 WeakPolarHBondContact O-CG1 3.43Å; F570-I574 PolarHBondContact O-N 3.03Å; F570-I605 HydrophobicContact CD1-CG1 4.28Å; F570-I605 HydrophobicContact CD1-CG2 3.9Å; F570-I605 HydrophobicContact CE1-CG1 4.31Å; F570-I605 HydrophobicContact CE1-CG2 4.14Å; F570-L608 HydrophobicContact CZ-CB 4.3Å; F570-Y612 HydrophobicContact CE2-CE2 4.19Å; F570-Y612 HydrophobicContact CZ-CE2 4.33Å; F570-Y626 AromaticContact CD2-CE2 3.97Å; F570-Y626 HydrophobicContact CD2-CE2 3.97Å; F570-Y626 HydrophobicContact CE2-CE2 4.13Å; F570-I634 HydrophobicContact CB-CD1 3.81Å; F570-I634 HydrophobicContact CB-CG1 4.34Å; F570-I634 HydrophobicContact CB-CG2 4.23Å; F570-I634 HydrophobicContact CD2-CD1 4.33Å; F570-I634 HydrophobicContact CG-CD1 4.36Å
571	N	81	Confident	79.1	Confident	65 Å²	65	46 Å²	46	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-43.7	-178.5	-64.8	-33.4	0	0	0	112.7	E569 L573 I574 Q575 H630 I634	E569-N571 VanDerWaalsContact C-N 3.26Å; E569-N571 PolarHBondContact O-N 3.32Å; E569-N571 VanDerWaalsContact O-N 3.1Å; N571-L573 VanDerWaalsContact C-N 3.33Å; N571-I574 PolarHBondContact O-N 3.08Å; N571-Q575 VanDerWaalsContact O-CB 3.29Å; N571-Q575 WeakPolarHBondContact O-CB 3.08Å; N571-Q575 WeakPolarHBondContact O-CG 3.13Å; N571-Q575 PolarHBondContact O-N 3.39Å; N571-H630 PolarHBondContact ND2-CE1 2.6Å; N571-H630 PolarHBondContact ND2-NE2 3.4Å; N571-I634 WeakPolarHBondContact OD1-CG1 3.42Å
572	Q	84	Confident	79.2	Confident	114 Å²	114	45.7 Å²	45.7	53%	0.533	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-38.4	178.8	-69	-177.5	26.5	0	0	111	E569 F570 Q575 R576	E569-Q572 HydrophobicContact CB-CB 4.4Å; E569-Q572 PolarHBondContact O-N 2.79Å; E569-Q572 VanDerWaalsContact O-N 3.08Å; E569-Q572 PolarHBondContact OE2-NE2 3.05Å; E569-Q572 PolarHBondContact OE2-OE1 3.28Å; F570-Q572 PolarHBondContact O-N 2.86Å; Q572-Q575 PolarHBondContact O-N 3.39Å; Q572-R576 VanDerWaalsContact O-CB 3.29Å; Q572-R576 WeakPolarHBondContact O-CB 3.26Å; Q572-R576 PolarHBondContact O-N 3.34Å
573	L	86.2	Confident	79.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-47.7	176.6	-179.8	67.7	0	0	0	111.9	L562 D566 E569 F570 N571 R576 F577 I605	L562-L573 HydrophobicContact CD1-CD1 4.07Å; L562-L573 HydrophobicContact CD1-CD2 3.32Å; L562-L573 HydrophobicContact CD1-CG 4.26Å; D566-L573 HydrophobicContact CB-CD1 4.05Å; D566-L573 HydrophobicContact CB-CD2 4.45Å; E569-L573 PolarHBondContact O-N 3.03Å; F570-L573 PolarHBondContact O-N 2.78Å; N571-L573 VanDerWaalsContact C-N 3.33Å; L573-R576 VanDerWaalsContact CD1-NH2 3.3Å; L573-R576 WeakPolarHBondContact O-CB 3.42Å; L573-R576 PolarHBondContact O-N 2.96Å; L573-F577 HydrophobicContact CD1-CD1 4.38Å; L573-F577 HydrophobicContact CD1-CE1 3.63Å; L573-F577 HydrophobicContact CD1-CE2 3.95Å; L573-F577 HydrophobicContact CD1-CZ 3.39Å; L573-F577 HydrophobicContact CD2-CE2 4.27Å; L573-F577 HydrophobicContact CD2-CZ 4.38Å; L573-F577 HydrophobicContact CG-CD2 4.39Å; L573-F577 HydrophobicContact CG-CE1 4.35Å; L573-F577 HydrophobicContact CG-CE2 3.84Å; L573-F577 HydrophobicContact CG-CZ 3.83Å; L573-F577 WeakPolarHBondContact O-CG 3.16Å; L573-F577 PolarHBondContact O-N 2.88Å; L573-I605 HydrophobicContact CD2-CD1 3.9Å; L573-I605 HydrophobicContact CD2-CG1 4.37Å; L573-I605 HydrophobicContact CG-CD1 4.44Å
574	I	86.8	Confident	80.4	Confident	4 Å²	4	49 Å²	49	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177.9	-71.5	163.4	0	0	0	110.6	F570 N571 F577 N578 I605 I634 T637 T638 Y641	F570-I574 HydrophobicContact CB-CD1 4.35Å; F570-I574 WeakPolarHBondContact O-CB 3.41Å; F570-I574 WeakPolarHBondContact O-CD1 3.46Å; F570-I574 WeakPolarHBondContact O-CG1 3.43Å; F570-I574 PolarHBondContact O-N 3.03Å; N571-I574 PolarHBondContact O-N 3.08Å; I574-F577 PolarHBondContact O-N 2.76Å; I574-N578 WeakPolarHBondContact O-CB 3.45Å; I574-N578 PolarHBondContact O-N 3.3Å; I574-I605 HydrophobicContact CD1-CG2 4.16Å; I574-I605 HydrophobicContact CG1-CD1 4Å; I574-I634 HydrophobicContact CD1-CG2 3.64Å; I574-T637 HydrophobicContact CG2-CG2 3.97Å; I574-T638 WeakPolarHBondContact CD1-OG1 3.43Å; I574-Y641 HydrophobicContact CG2-CD2 3.74Å; I574-Y641 HydrophobicContact CG2-CE2 3.4Å; I574-Y641 VanDerWaalsContact CG2-CE2 3.4Å
575	Q	87.6	Confident	81.2	Confident	120 Å²	120	48.6 Å²	48.6	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-62.7	-41.6	173.8	-77.1	177.5	-10	0	0	111.9	N571 Q572 N578 T579	N571-Q575 VanDerWaalsContact O-CB 3.29Å; N571-Q575 WeakPolarHBondContact O-CB 3.08Å; N571-Q575 WeakPolarHBondContact O-CG 3.13Å; N571-Q575 PolarHBondContact O-N 3.39Å; Q572-Q575 PolarHBondContact O-N 3.39Å; Q575-N578 PolarHBondContact O-N 2.93Å; Q575-T579 VanDerWaalsContact O-CB 3.22Å; Q575-T579 WeakPolarHBondContact O-CB 3.48Å; Q575-T579 PolarHBondContact O-N 2.99Å; Q575-T579 PolarHBondContact O-OG1 2.95Å
576	R	88.7	Confident	81.7	Confident	34 Å²	34	48.2 Å²	48.2	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-53.8	175.3	-176.3	175	81.4	-154.3	4.7	110.5	M559 Q561 D566 Q572 L573 N578 T579 T580	M559-R576 HydrophobicContact CE-CG 3.64Å; M559-R576 PolarHBondContact O-NE 3.15Å; M559-R576 HydrophobicContact SD-CG 4.46Å; Q561-R576 PolarHBondContact O-NH2 2.88Å; D566-R576 IonicContact OD2-CZ 3.77Å; D566-R576 IonicContact OD2-NH1 3.75Å; D566-R576 PolarHBondContact OD2-NH1 3.3Å; D566-R576 IonicContact OD2-NH2 3.88Å; D566-R576 PolarHBondContact OD2-NH2 3.36Å; Q572-R576 VanDerWaalsContact O-CB 3.29Å; Q572-R576 WeakPolarHBondContact O-CB 3.26Å; Q572-R576 PolarHBondContact O-N 3.34Å; L573-R576 VanDerWaalsContact CD1-NH2 3.3Å; L573-R576 WeakPolarHBondContact O-CB 3.42Å; L573-R576 PolarHBondContact O-N 2.96Å; R576-N578 PolarHBondContact O-N 2.82Å; R576-T579 PolarHBondContact O-N 2.83Å; R576-T580 PolarHBondContact O-N 3.46Å; R576-T580 PolarHBondContact O-OG1 3.03Å; R576-T580 VanDerWaalsContact O-OG1 3.05Å
577	F	91.4	Very high	82.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-47.4	179.6	-69.4	-10.4	0	0	0	112.6	M559 I560 L562 L573 I574 T580 Y581 L598 N601 Y602 I605	M559-F577 WeakPolarHBondContact O-CD1 3.36Å; M559-F577 WeakPolarHBondContact O-CE1 3.48Å; I560-F577 WeakPolarHBondContact O-CE1 3.43Å; I560-F577 WeakPolarHBondContact O-CZ 3.36Å; L562-F577 HydrophobicContact CD1-CZ 4.34Å; L573-F577 HydrophobicContact CD1-CD1 4.38Å; L573-F577 HydrophobicContact CD1-CE1 3.63Å; L573-F577 HydrophobicContact CD1-CE2 3.95Å; L573-F577 HydrophobicContact CD1-CZ 3.39Å; L573-F577 HydrophobicContact CD2-CE2 4.27Å; L573-F577 HydrophobicContact CD2-CZ 4.38Å; L573-F577 HydrophobicContact CG-CD2 4.39Å; L573-F577 HydrophobicContact CG-CE1 4.35Å; L573-F577 HydrophobicContact CG-CE2 3.84Å; L573-F577 HydrophobicContact CG-CZ 3.83Å; L573-F577 WeakPolarHBondContact O-CG 3.16Å; L573-F577 PolarHBondContact O-N 2.88Å; I574-F577 PolarHBondContact O-N 2.76Å; F577-T580 PolarHBondContact O-N 3.2Å; F577-Y581 WeakPolarHBondContact O-CB 3.38Å; F577-Y581 PolarHBondContact O-N 3.11Å; F577-L598 HydrophobicContact CB-CD1 3.82Å; F577-L598 HydrophobicContact CD2-CD1 4.34Å; F577-L598 HydrophobicContact CG-CD1 4.04Å; F577-N601 HydrophobicContact CE2-CB 3.73Å; F577-N601 HydrophobicContact CZ-CB 4.07Å; F577-Y602 HydrophobicContact CB-CE1 4.06Å; F577-Y602 WeakPolarHBondContact CB-OH 3.27Å; F577-Y602 HydrophobicContact CD2-CD1 4.3Å; F577-Y602 AromaticContact CD2-CE1 3.94Å; F577-Y602 HydrophobicContact CD2-CE1 3.94Å; F577-I605 HydrophobicContact CD2-CD1 4.3Å; F577-I605 HydrophobicContact CE2-CD1 3.95Å
578	N	89.4	Confident	83.3	Confident	22 Å²	22	46.1 Å²	46.1	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-40.6	179.2	-177.5	58.6	0	0	0	112.3	I574 Q575 R576 Y581 C582 Y602 Y641	I574-N578 WeakPolarHBondContact O-CB 3.45Å; I574-N578 PolarHBondContact O-N 3.3Å; Q575-N578 PolarHBondContact O-N 2.93Å; R576-N578 PolarHBondContact O-N 2.82Å; N578-Y581 PolarHBondContact O-N 3.48Å; N578-C582 WeakPolarHBondContact O-CB 3.25Å; N578-C582 PolarHBondContact O-N 3.21Å; N578-C582 PolarHBondContact O-SG 2.73Å; N578-Y602 PolarHBondContact N-OH 3.09Å; N578-Y641 HydrophobicContact CB-CD2 3.71Å; N578-Y641 HydrophobicContact CB-CE1 4.4Å; N578-Y641 HydrophobicContact CB-CE2 3.37Å; N578-Y641 HydrophobicContact CB-CG 4.34Å; N578-Y641 VanDerWaalsContact CG-CZ 3.47Å; N578-Y641 PolarHBondContact ND2-OH 3.19Å
579	T	89.3	Confident	84.1	Confident	63 Å²	63	43 Å²	43	39%	0.387	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-46.6	177.4	-56.8	0	0	0	0	110.6	Q575 R576 C582 Q583	Q575-T579 VanDerWaalsContact O-CB 3.22Å; Q575-T579 WeakPolarHBondContact O-CB 3.48Å; Q575-T579 PolarHBondContact O-N 2.99Å; Q575-T579 PolarHBondContact O-OG1 2.95Å; R576-T579 PolarHBondContact O-N 2.83Å; T579-C582 PolarHBondContact O-N 2.58Å; T579-Q583 HydrophobicContact CG2-CG 4.33Å; T579-Q583 WeakPolarHBondContact O-CB 3.42Å; T579-Q583 VanDerWaalsContact O-CG 3.31Å; T579-Q583 WeakPolarHBondContact O-CG 3.4Å; T579-Q583 PolarHBondContact O-N 3.47Å
580	T	89.2	Confident	84	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.6	-58.2	0	0	0	0	111.6	C556 M559 I560 R576 F577 Y584	C556-T580 HydrophobicContact CB-CG2 4.22Å; M559-T580 HydrophobicContact CB-CG2 3.9Å; M559-T580 WeakPolarHBondContact CB-OG1 3.28Å; I560-T580 HydrophobicContact CD1-CG2 4.44Å; I560-T580 HydrophobicContact CG1-CG2 4.24Å; R576-T580 PolarHBondContact O-N 3.46Å; R576-T580 PolarHBondContact O-OG1 3.03Å; R576-T580 VanDerWaalsContact O-OG1 3.05Å; F577-T580 PolarHBondContact O-N 3.2Å; T580-Y584 HydrophobicContact CG2-CD2 4.12Å; T580-Y584 WeakPolarHBondContact O-CD2 3.46Å; T580-Y584 PolarHBondContact O-N 3.32Å
581	Y	88.6	Confident	83.9	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-48.5	176.6	178	-104.2	0	0	0	111.8	F577 N578 Q583 F585 V588 L589 L598 I645 D648	F577-Y581 WeakPolarHBondContact O-CB 3.38Å; F577-Y581 PolarHBondContact O-N 3.11Å; N578-Y581 PolarHBondContact O-N 3.48Å; Y581-Q583 PolarHBondContact O-N 2.98Å; Y581-F585 WeakPolarHBondContact O-CA 3.44Å; Y581-F585 WeakPolarHBondContact O-CB 3.45Å; Y581-F585 PolarHBondContact O-N 3.09Å; Y581-V588 HydrophobicContact CD2-CB 4.38Å; Y581-V588 HydrophobicContact CD2-CG1 4Å; Y581-V588 HydrophobicContact CE2-CG1 4.47Å; Y581-L589 HydrophobicContact CE2-CD1 4.45Å; Y581-L598 HydrophobicContact CD2-CD2 3.83Å; Y581-L598 HydrophobicContact CG-CD2 4.25Å; Y581-I645 HydrophobicContact CD1-CG1 4.21Å; Y581-I645 HydrophobicContact CD2-CG1 4.29Å; Y581-I645 HydrophobicContact CE1-CG1 3.81Å; Y581-I645 HydrophobicContact CE2-CG1 3.91Å; Y581-I645 HydrophobicContact CG-CG1 4.43Å; Y581-D648 WeakPolarHBondContact CE1-OD2 3.48Å; Y581-D648 WeakPolarHBondContact OH-CB 3.33Å; Y581-D648 PolarHBondContact OH-OD2 3.03Å; Y581-D648 VanDerWaalsContact OH-OD2 3.07Å
582	C	86.7	Confident	83.8	Confident	42 Å²	42	40.5 Å²	40.5	28%	0.284	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-40.7	-178.5	-65.6	0	0	0	0	112.7	N578 T579 R644	N578-C582 WeakPolarHBondContact O-CB 3.25Å; N578-C582 PolarHBondContact O-N 3.21Å; N578-C582 PolarHBondContact O-SG 2.73Å; T579-C582 PolarHBondContact O-N 2.58Å; C582-R644 PolarHBondContact SG-NH1 3.05Å; C582-R644 PolarHBondContact SG-NH2 3.32Å; C582-R644 VanDerWaalsContact SG-NH2 3.37Å
583	Q	84.5	Confident	83.8	Confident	113 Å²	113	39.1 Å²	39.1	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-76.3	-31.5	-176.6	-73.1	178.4	-20.7	0	0	113.1	T579 Y581	T579-Q583 HydrophobicContact CG2-CG 4.33Å; T579-Q583 WeakPolarHBondContact O-CB 3.42Å; T579-Q583 VanDerWaalsContact O-CG 3.31Å; T579-Q583 WeakPolarHBondContact O-CG 3.4Å; T579-Q583 PolarHBondContact O-N 3.47Å; Y581-Q583 PolarHBondContact O-N 2.98Å
584	Y	85.5	Confident	83.8	Confident	24 Å²	24	39.1 Å²	39.1	9%	0.094	20%	0.202	C	C	.	.	S	Bend	trans	-127.6	35.6	-174.5	-47.5	-77.2	0	0	0	112	H529 L552 Y555 C556 T580 D586 V587 V588	H529-Y584 PolarHBondContact CD2-OH 3.04Å; H529-Y584 AromaticContact CE1-CE1 3.99Å; H529-Y584 AromaticContact CE1-CZ 3.83Å; H529-Y584 PolarHBondContact CE1-OH 3.43Å; H529-Y584 AromaticContact NE2-CZ 3.58Å; H529-Y584 PolarHBondContact NE2-OH 3.45Å; L552-Y584 HydrophobicContact CD2-CD1 3.88Å; L552-Y584 HydrophobicContact CD2-CE1 3.72Å; Y555-Y584 HydrophobicContact CD1-CE2 4.12Å; Y555-Y584 HydrophobicContact CE1-CD2 4.33Å; Y555-Y584 AromaticContact CE1-CE2 3.56Å; Y555-Y584 HydrophobicContact CE1-CE2 3.56Å; Y555-Y584 AromaticContact CE1-CZ 3.8Å; C556-Y584 VanDerWaalsContact SG-CB 3.6Å; T580-Y584 HydrophobicContact CG2-CD2 4.12Å; T580-Y584 WeakPolarHBondContact O-CD2 3.46Å; T580-Y584 PolarHBondContact O-N 3.32Å; Y584-D586 PolarHBondContact O-N 2.68Å; Y584-V587 PolarHBondContact O-N 3.28Å; Y584-V588 WeakPolarHBondContact O-CG2 3.29Å; Y584-V588 PolarHBondContact O-N 3.44Å
585	F	81.4	Confident	83.8	Confident	113 Å²	113	38.9 Å²	38.9	50%	0.496	20%	0.201	S	C	.	.	H	α-helix	trans	-58.6	-32.5	-178.8	78.1	-85.6	0	0	0	111.2	Y581 V587 V588 L589	Y581-F585 WeakPolarHBondContact O-CA 3.44Å; Y581-F585 WeakPolarHBondContact O-CB 3.45Å; Y581-F585 PolarHBondContact O-N 3.09Å; F585-V587 PolarHBondContact O-N 3.12Å; F585-V588 PolarHBondContact O-N 3.16Å; F585-L589 WeakPolarHBondContact O-CB 3.48Å; F585-L589 PolarHBondContact O-N 3.26Å
586	D	71.2	Confident	83.8	Confident	69 Å²	69	33.9 Å²	33.9	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-19.1	175.9	69.9	-41.7	0	0	0	114	Y584 P590	Y584-D586 PolarHBondContact O-N 2.68Å; D586-P590 VanDerWaalsContact O-CD 3.3Å; D586-P590 WeakPolarHBondContact O-CD 3.41Å; D586-P590 VanDerWaalsContact O-CG 3.29Å; D586-P590 WeakPolarHBondContact O-CG 3.34Å
587	V	77.5	Confident	83.7	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-99.7	-43.4	174.5	-178.6	0	0	0	0	111.4	L552 H553 Y584 F585 S591 L594	L552-V587 HydrophobicContact CB-CG1 4.41Å; L552-V587 HydrophobicContact CB-CG2 4.1Å; L552-V587 HydrophobicContact CD1-CG2 4.15Å; H553-V587 HydrophobicContact CB-CG1 4.36Å; Y584-V587 PolarHBondContact O-N 3.28Å; F585-V587 PolarHBondContact O-N 3.12Å; V587-S591 WeakPolarHBondContact O-CB 3.38Å; V587-L594 HydrophobicContact CG1-CD1 4.36Å
588	V	82.1	Confident	83.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.8	-47.3	-176	177.3	0	0	0	0	111.5	C556 I560 Y581 Y584 F585 S591 L594 L598	C556-V588 HydrophobicContact CB-CG2 4.19Å; I560-V588 HydrophobicContact CD1-CG1 4.3Å; I560-V588 HydrophobicContact CD1-CG2 4.1Å; Y581-V588 HydrophobicContact CD2-CB 4.38Å; Y581-V588 HydrophobicContact CD2-CG1 4Å; Y581-V588 HydrophobicContact CE2-CG1 4.47Å; Y584-V588 WeakPolarHBondContact O-CG2 3.29Å; Y584-V588 PolarHBondContact O-N 3.44Å; F585-V588 PolarHBondContact O-N 3.16Å; V588-S591 PolarHBondContact O-N 2.78Å; V588-S591 VanDerWaalsContact O-N 3.12Å; V588-L594 HydrophobicContact CG1-CB 4.23Å; V588-L594 HydrophobicContact CG2-CD1 4.43Å; V588-L598 HydrophobicContact CG1-CD2 4.16Å
589	L	79.2	Confident	83.7	Confident	14 Å²	14	33.5 Å²	33.5	7%	0.073	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43.2	-172.9	-163.5	67.3	0	0	0	112.8	Y581 F585 S591 L649 I652	Y581-L589 HydrophobicContact CE2-CD1 4.45Å; F585-L589 WeakPolarHBondContact O-CB 3.48Å; F585-L589 PolarHBondContact O-N 3.26Å; L589-S591 VanDerWaalsContact C-N 3.25Å; L589-S591 PolarHBondContact O-N 3.5Å; L589-L649 HydrophobicContact CD1-CD2 3.42Å; L589-L649 VanDerWaalsContact CD1-CD2 3.42Å; L589-L649 HydrophobicContact CD1-CG 3.7Å; L589-L649 HydrophobicContact CG-CD2 4.08Å; L589-I652 HydrophobicContact CD1-CD1 4.35Å; L589-I652 HydrophobicContact CD2-CD1 3.36Å; L589-I652 HydrophobicContact CD2-CG1 3.9Å; L589-I652 HydrophobicContact CG-CD1 3.67Å
590	P	72.6	Confident	83.7	Confident	63 Å²	63	36.3 Å²	36.3	41%	0.409	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.1	175.6	-15.3	33.5	0	0	0	113.8	D586	D586-P590 VanDerWaalsContact O-CD 3.3Å; D586-P590 WeakPolarHBondContact O-CD 3.41Å; D586-P590 VanDerWaalsContact O-CG 3.29Å; D586-P590 WeakPolarHBondContact O-CG 3.34Å
591	S	78.9	Confident	83.7	Confident	18 Å²	18	36.8 Å²	36.8	13%	0.126	19%	0.189	C	C	.	.			trans	-98.5	101.3	179.1	-175.9	0	0	0	0	110.2	H553 V587 V588 L589 N593 L594 L595	H553-S591 PolarHBondContact NE2-OG 3.49Å; H553-S591 VanDerWaalsContact NE2-OG 3.09Å; V587-S591 WeakPolarHBondContact O-CB 3.38Å; V588-S591 PolarHBondContact O-N 2.78Å; V588-S591 VanDerWaalsContact O-N 3.12Å; L589-S591 VanDerWaalsContact C-N 3.25Å; L589-S591 PolarHBondContact O-N 3.5Å; S591-N593 PolarHBondContact O-N 3.28Å; S591-N593 VanDerWaalsContact O-N 3.16Å; S591-L594 PolarHBondContact O-N 2.9Å; S591-L595 WeakPolarHBondContact O-CB 3.49Å; S591-L595 PolarHBondContact O-N 2.83Å
592	N	79.9	Confident	83.8	Confident	25 Å²	25	36.8 Å²	36.8	13%	0.134	19%	0.188	C	C	.	.	H	α-helix	trans	-48.9	-43.7	176.5	-71.8	-25.6	0	0	0	112.2	A596 N661 I664	N592-A596 WeakPolarHBondContact O-CB 3.25Å; N592-A596 PolarHBondContact O-N 2.94Å; N592-N661 PolarHBondContact OD1-N 2.89Å; N592-N661 VanDerWaalsContact OD1-N 3.11Å; N592-I664 HydrophobicContact CB-CD1 3.63Å; N592-I664 WeakPolarHBondContact O-CD1 3.48Å
593	N	83.7	Confident	83.9	Confident	84 Å²	84	35 Å²	35	45%	0.449	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-45.3	-178.6	-70.2	-31.4	0	0	0	113.5	E250 S591 T597	E250-N593 PolarHBondContact OE2-ND2 3.33Å; S591-N593 PolarHBondContact O-N 3.28Å; S591-N593 VanDerWaalsContact O-N 3.16Å; N593-T597 WeakPolarHBondContact O-CB 3.42Å; N593-T597 PolarHBondContact O-N 3.12Å; N593-T597 PolarHBondContact O-OG1 2.76Å
594	L	86.5	Confident	84	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-45.6	177.6	-67.9	177.5	0	0	0	111.1	H553 C556 K557 I560 V587 V588 S591 T597 L598	H553-L594 VanDerWaalsContact CD2-CD1 3.46Å; H553-L594 WeakPolarHBondContact CD2-CD1 3.26Å; C556-L594 HydrophobicContact CB-CD1 3.79Å; C556-L594 HydrophobicContact CB-CD2 4.36Å; K557-L594 HydrophobicContact CB-CD2 3.76Å; K557-L594 HydrophobicContact CG-CD2 4.35Å; I560-L594 HydrophobicContact CD1-CB 4.47Å; V587-L594 HydrophobicContact CG1-CD1 4.36Å; V588-L594 HydrophobicContact CG1-CB 4.23Å; V588-L594 HydrophobicContact CG2-CD1 4.43Å; S591-L594 PolarHBondContact O-N 2.9Å; L594-T597 PolarHBondContact O-N 2.73Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 PolarHBondContact O-N 2.95Å
595	L	86.7	Confident	84	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-47.8	179.7	-176.4	61	0	0	0	111.5	S591 T597 L598 V599 I645 L649 V660 I664	S591-L595 WeakPolarHBondContact O-CB 3.49Å; S591-L595 PolarHBondContact O-N 2.83Å; L595-T597 VanDerWaalsContact C-N 3.3Å; L595-T597 PolarHBondContact O-N 3.37Å; L595-L598 PolarHBondContact O-N 3.28Å; L595-V599 HydrophobicContact CD1-CG2 4.29Å; L595-V599 WeakPolarHBondContact O-CB 3.28Å; L595-V599 WeakPolarHBondContact O-CG2 3.38Å; L595-V599 PolarHBondContact O-N 3.43Å; L595-I645 HydrophobicContact CD1-CG2 3.69Å; L595-L649 HydrophobicContact CD2-CD1 4.2Å; L595-L649 HydrophobicContact CD2-CD2 3.98Å; L595-V660 HydrophobicContact CD2-CG1 4.33Å; L595-I664 HydrophobicContact CD2-CG2 3.74Å; L595-I664 HydrophobicContact CG-CG2 3.9Å
596	A	86	Confident	84.3	Confident	15 Å²	15	28.3 Å²	28.3	12%	0.124	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-36.8	177.4	0	0	0	0	0	112.4	N592 R600 I664	N592-A596 WeakPolarHBondContact O-CB 3.25Å; N592-A596 PolarHBondContact O-N 2.94Å; A596-R600 WeakPolarHBondContact O-CB 3.22Å; A596-R600 PolarHBondContact O-N 3.49Å; A596-I664 HydrophobicContact CB-CD1 4.27Å; A596-I664 HydrophobicContact CB-CG1 4.44Å
597	T	87.6	Confident	85	Confident	46 Å²	46	31.3 Å²	31.3	28%	0.282	15%	0.149	S	C	.	.	H	α-helix	trans	-67.6	-46.1	175.9	-56.9	0	0	0	0	110.9	I560 N593 L594 L595 R600 N601	I560-T597 HydrophobicContact CG2-CG2 4.08Å; N593-T597 WeakPolarHBondContact O-CB 3.42Å; N593-T597 PolarHBondContact O-N 3.12Å; N593-T597 PolarHBondContact O-OG1 2.76Å; L594-T597 PolarHBondContact O-N 2.73Å; L595-T597 VanDerWaalsContact C-N 3.3Å; L595-T597 PolarHBondContact O-N 3.37Å; T597-R600 PolarHBondContact O-N 2.92Å; T597-N601 WeakPolarHBondContact O-CB 3.39Å; T597-N601 VanDerWaalsContact O-CG 3.24Å; T597-N601 PolarHBondContact O-N 3.23Å; T597-N601 PolarHBondContact O-ND2 2.89Å
598	L	90.6	Very high	85.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-50.3	178	-178.5	62.1	0	0	0	111.6	I560 F577 Y581 V588 L594 L595 R600 N601 Y602 I645	I560-L598 HydrophobicContact CD1-CB 4.39Å; I560-L598 HydrophobicContact CD1-CD1 4.49Å; I560-L598 HydrophobicContact CG1-CD1 4.26Å; I560-L598 HydrophobicContact CG2-CB 3.84Å; I560-L598 HydrophobicContact CG2-CD1 3.98Å; F577-L598 HydrophobicContact CB-CD1 3.82Å; F577-L598 HydrophobicContact CD2-CD1 4.34Å; F577-L598 HydrophobicContact CG-CD1 4.04Å; Y581-L598 HydrophobicContact CD2-CD2 3.83Å; Y581-L598 HydrophobicContact CG-CD2 4.25Å; V588-L598 HydrophobicContact CG1-CD2 4.16Å; L594-L598 WeakPolarHBondContact O-CB 3.43Å; L594-L598 PolarHBondContact O-N 2.95Å; L595-L598 PolarHBondContact O-N 3.28Å; L598-R600 VanDerWaalsContact C-N 3.35Å; L598-R600 PolarHBondContact O-N 2.99Å; L598-N601 PolarHBondContact O-N 2.58Å; L598-N601 VanDerWaalsContact O-N 3.14Å; L598-Y602 HydrophobicContact CD1-CD2 4.17Å; L598-Y602 HydrophobicContact CD1-CE2 3.62Å; L598-Y602 HydrophobicContact CD2-CE2 4.32Å; L598-Y602 HydrophobicContact CG-CD2 4.09Å; L598-Y602 HydrophobicContact CG-CE2 3.76Å; L598-Y602 WeakPolarHBondContact O-CD2 3.18Å; L598-Y602 PolarHBondContact O-N 3.47Å; L598-I645 HydrophobicContact CD2-CD1 3.85Å; L598-I645 HydrophobicContact CG-CD1 4.31Å
599	V	89.4	Confident	85.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-43.3	178.7	171.5	0	0	0	0	111.1	L595 N601 Y602 D603 L642 I668 I671	L595-V599 HydrophobicContact CD1-CG2 4.29Å; L595-V599 WeakPolarHBondContact O-CB 3.28Å; L595-V599 WeakPolarHBondContact O-CG2 3.38Å; L595-V599 PolarHBondContact O-N 3.43Å; V599-N601 VanDerWaalsContact C-N 3.28Å; V599-N601 PolarHBondContact O-N 3.44Å; V599-Y602 PolarHBondContact O-N 3.37Å; V599-D603 PolarHBondContact O-N 3.04Å; V599-L642 HydrophobicContact CG1-CD2 4.4Å; V599-I668 HydrophobicContact CB-CG1 4.18Å; V599-I668 HydrophobicContact CG1-CG1 3.65Å; V599-I668 HydrophobicContact CG2-CD1 3.68Å; V599-I668 HydrophobicContact CG2-CG1 3.48Å; V599-I668 VanDerWaalsContact CG2-CG1 3.48Å; V599-I671 HydrophobicContact CG1-CD1 3.49Å; V599-I671 VanDerWaalsContact CG1-CD1 3.49Å
600	R	89.3	Confident	85.2	Confident	123 Å²	123	35.9 Å²	35.9	46%	0.464	17%	0.173	S	C	.	.	H	α-helix	trans	-60.8	-38.3	175.5	-175.7	-172	-53.5	173.8	2	111.8	A596 T597 L598 R604	A596-R600 WeakPolarHBondContact O-CB 3.22Å; A596-R600 PolarHBondContact O-N 3.49Å; T597-R600 PolarHBondContact O-N 2.92Å; L598-R600 VanDerWaalsContact C-N 3.35Å; L598-R600 PolarHBondContact O-N 2.99Å; R600-R604 WeakPolarHBondContact O-CB 3.47Å; R600-R604 PolarHBondContact O-N 3.14Å
601	N	89.3	Confident	85.2	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.059	16%	0.164	C	C	.	.	H	α-helix	trans	-70.7	-40.6	179	-71.5	-18.5	0	0	0	112	I560 F577 T597 L598 V599 R604 I605	I560-N601 PolarHBondContact O-ND2 3.26Å; F577-N601 HydrophobicContact CE2-CB 3.73Å; F577-N601 HydrophobicContact CZ-CB 4.07Å; T597-N601 WeakPolarHBondContact O-CB 3.39Å; T597-N601 VanDerWaalsContact O-CG 3.24Å; T597-N601 PolarHBondContact O-N 3.23Å; T597-N601 PolarHBondContact O-ND2 2.89Å; L598-N601 PolarHBondContact O-N 2.58Å; L598-N601 VanDerWaalsContact O-N 3.14Å; V599-N601 VanDerWaalsContact C-N 3.28Å; V599-N601 PolarHBondContact O-N 3.44Å; N601-R604 PolarHBondContact O-N 3.09Å; N601-I605 VanDerWaalsContact O-CG1 3.31Å; N601-I605 WeakPolarHBondContact O-CG1 3.47Å; N601-I605 PolarHBondContact O-N 2.9Å
602	Y	90.9	Very high	84.5	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-44.5	172.8	-75.3	-48.9	0	0	0	112.8	F577 N578 L598 V599 R604 I605 L606 T638 Y641 L642 I645	F577-Y602 HydrophobicContact CB-CE1 4.06Å; F577-Y602 WeakPolarHBondContact CB-OH 3.27Å; F577-Y602 HydrophobicContact CD2-CD1 4.3Å; F577-Y602 AromaticContact CD2-CE1 3.94Å; F577-Y602 HydrophobicContact CD2-CE1 3.94Å; N578-Y602 PolarHBondContact N-OH 3.09Å; L598-Y602 HydrophobicContact CD1-CD2 4.17Å; L598-Y602 HydrophobicContact CD1-CE2 3.62Å; L598-Y602 HydrophobicContact CD2-CE2 4.32Å; L598-Y602 HydrophobicContact CG-CD2 4.09Å; L598-Y602 HydrophobicContact CG-CE2 3.76Å; L598-Y602 WeakPolarHBondContact O-CD2 3.18Å; L598-Y602 PolarHBondContact O-N 3.47Å; V599-Y602 PolarHBondContact O-N 3.37Å; Y602-R604 VanDerWaalsContact C-N 3.32Å; Y602-R604 PolarHBondContact O-N 2.96Å; Y602-I605 HydrophobicContact CD1-CD1 4.36Å; Y602-I605 WeakPolarHBondContact O-CB 3.43Å; Y602-I605 PolarHBondContact O-N 3.33Å; Y602-I605 VanDerWaalsContact O-N 3.16Å; Y602-L606 WeakPolarHBondContact O-CG 3.4Å; Y602-L606 PolarHBondContact O-N 3.12Å; Y602-T638 HydrophobicContact CD1-CG2 3.64Å; Y602-T638 HydrophobicContact CG-CG2 4.1Å; Y602-Y641 HydrophobicContact CE1-CD2 4.28Å; Y602-L642 HydrophobicContact CD2-CD2 4.03Å; Y602-L642 HydrophobicContact CD2-CG 4.37Å; Y602-L642 HydrophobicContact CG-CD2 4.31Å; Y602-L642 HydrophobicContact CG-CG 4.38Å; Y602-I645 HydrophobicContact CD2-CD1 4.14Å; Y602-I645 HydrophobicContact CE2-CD1 3.74Å
603	D	89.3	Confident	83.4	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.032	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-40	174.1	175.6	33.5	0	0	0	111.8	V599 I605 L606 R607 I671	V599-D603 PolarHBondContact O-N 3.04Å; D603-I605 VanDerWaalsContact C-N 3.35Å; D603-I605 PolarHBondContact O-N 3.28Å; D603-L606 PolarHBondContact O-N 3.41Å; D603-R607 WeakPolarHBondContact O-CG 3.2Å; D603-R607 PolarHBondContact O-N 3.35Å; D603-R607 IonicContact OD1-CZ 2.69Å; D603-R607 IonicContact OD1-NE 2.66Å; D603-R607 PolarHBondContact OD1-NE 3.33Å; D603-R607 IonicContact OD1-NH2 3.13Å; D603-R607 IonicContact OD2-CZ 3.83Å; D603-R607 IonicContact OD2-NE 3.66Å; D603-R607 PolarHBondContact OD2-NE 3.31Å; D603-R607 IonicContact OD2-NH2 2.72Å; D603-R607 PolarHBondContact OD2-NH2 3.3Å; D603-I671 HydrophobicContact CB-CD1 3.84Å; D603-I671 HydrophobicContact CB-CG1 4.21Å; D603-I671 HydrophobicContact CB-CG2 4.06Å
604	R	86.5	Confident	81.8	Confident	108 Å²	108	38.3 Å²	38.3	41%	0.408	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-41	173.6	-174.6	171.4	175.7	-177.9	0.2	112	L562 R600 N601 Y602 R607 L608	L562-R604 HydrophobicContact CD2-CG 4.36Å; R600-R604 WeakPolarHBondContact O-CB 3.47Å; R600-R604 PolarHBondContact O-N 3.14Å; N601-R604 PolarHBondContact O-N 3.09Å; Y602-R604 VanDerWaalsContact C-N 3.32Å; Y602-R604 PolarHBondContact O-N 2.96Å; R604-R607 PolarHBondContact O-N 3.27Å; R604-L608 HydrophobicContact CG-CD1 4.14Å; R604-L608 HydrophobicContact CG-CG 4.49Å; R604-L608 WeakPolarHBondContact O-CB 3.04Å; R604-L608 VanDerWaalsContact O-CG 3.23Å; R604-L608 WeakPolarHBondContact O-CG 2.91Å; R604-L608 PolarHBondContact O-N 3.27Å
605	I	86.3	Confident	80	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-46.7	174.8	-71.1	165.7	0	0	0	110.6	F570 L573 I574 F577 N601 Y602 D603 L608 C609 I634 T638	F570-I605 HydrophobicContact CD1-CG1 4.28Å; F570-I605 HydrophobicContact CD1-CG2 3.9Å; F570-I605 HydrophobicContact CE1-CG1 4.31Å; F570-I605 HydrophobicContact CE1-CG2 4.14Å; L573-I605 HydrophobicContact CD2-CD1 3.9Å; L573-I605 HydrophobicContact CD2-CG1 4.37Å; L573-I605 HydrophobicContact CG-CD1 4.44Å; I574-I605 HydrophobicContact CD1-CG2 4.16Å; I574-I605 HydrophobicContact CG1-CD1 4Å; F577-I605 HydrophobicContact CD2-CD1 4.3Å; F577-I605 HydrophobicContact CE2-CD1 3.95Å; N601-I605 VanDerWaalsContact O-CG1 3.31Å; N601-I605 WeakPolarHBondContact O-CG1 3.47Å; N601-I605 PolarHBondContact O-N 2.9Å; Y602-I605 HydrophobicContact CD1-CD1 4.36Å; Y602-I605 WeakPolarHBondContact O-CB 3.43Å; Y602-I605 PolarHBondContact O-N 3.33Å; Y602-I605 VanDerWaalsContact O-N 3.16Å; D603-I605 VanDerWaalsContact C-N 3.35Å; D603-I605 PolarHBondContact O-N 3.28Å; I605-L608 PolarHBondContact O-N 3.16Å; I605-C609 WeakPolarHBondContact O-CB 3.49Å; I605-C609 PolarHBondContact O-N 3.4Å; I605-C609 PolarHBondContact O-SG 3.45Å; I605-I634 HydrophobicContact CG2-CG2 4.24Å; I605-T638 HydrophobicContact CG2-CG2 4.43Å
606	L	87.2	Confident	77.8	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-46.8	178.6	-70.3	171.7	0	0	0	111.9	Y602 D603 L608 C609 D610 K635 T638 L642 W675 I678	Y602-L606 WeakPolarHBondContact O-CG 3.4Å; Y602-L606 PolarHBondContact O-N 3.12Å; D603-L606 PolarHBondContact O-N 3.41Å; L606-L608 PolarHBondContact O-N 2.94Å; L606-C609 PolarHBondContact O-N 3.18Å; L606-D610 PolarHBondContact O-N 3.49Å; L606-K635 HydrophobicContact CD2-CB 4.27Å; L606-K635 HydrophobicContact CD2-CG 4.22Å; L606-T638 HydrophobicContact CD1-CG2 4.11Å; L606-T638 HydrophobicContact CD2-CG2 3.9Å; L606-T638 HydrophobicContact CG-CG2 3.69Å; L606-L642 HydrophobicContact CD1-CD1 3.69Å; L606-W675 HydrophobicContact CB-CD2 4.07Å; L606-W675 HydrophobicContact CB-CH2 4.29Å; L606-W675 HydrophobicContact CB-CZ2 3.66Å; L606-W675 HydrophobicContact CD1-CB 4.36Å; L606-W675 HydrophobicContact CD1-CD2 4.14Å; L606-W675 HydrophobicContact CD1-CG 3.78Å; L606-I678 HydrophobicContact CD2-CD1 4Å
607	R	86.4	Confident	75.6	Confident	133 Å²	133	62 Å²	62	50%	0.502	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-41.2	176.1	-69.3	177.4	-162.9	-165.7	0.5	112.6	D603 R604 D610 S611 W675	D603-R607 WeakPolarHBondContact O-CG 3.2Å; D603-R607 PolarHBondContact O-N 3.35Å; D603-R607 IonicContact OD1-CZ 2.69Å; D603-R607 IonicContact OD1-NE 2.66Å; D603-R607 PolarHBondContact OD1-NE 3.33Å; D603-R607 IonicContact OD1-NH2 3.13Å; D603-R607 IonicContact OD2-CZ 3.83Å; D603-R607 IonicContact OD2-NE 3.66Å; D603-R607 PolarHBondContact OD2-NE 3.31Å; D603-R607 IonicContact OD2-NH2 2.72Å; D603-R607 PolarHBondContact OD2-NH2 3.3Å; R604-R607 PolarHBondContact O-N 3.27Å; R607-D610 PolarHBondContact O-N 3.08Å; R607-S611 PolarHBondContact O-N 3.34Å; R607-W675 HydrophobicContact CG-CZ2 4.13Å
608	L	82.4	Confident	73.1	Confident	46 Å²	46	70 Å²	70	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-45.2	176.6	-74.4	172.1	0	0	0	110.9	L567 F570 R604 I605 L606 D610 S611 Y612	L567-L608 HydrophobicContact CD1-CD1 4.1Å; L567-L608 HydrophobicContact CD2-CD1 3.53Å; L567-L608 HydrophobicContact CG-CD1 4.45Å; F570-L608 HydrophobicContact CZ-CB 4.3Å; R604-L608 HydrophobicContact CG-CD1 4.14Å; R604-L608 HydrophobicContact CG-CG 4.49Å; R604-L608 WeakPolarHBondContact O-CB 3.04Å; R604-L608 VanDerWaalsContact O-CG 3.23Å; R604-L608 WeakPolarHBondContact O-CG 2.91Å; R604-L608 PolarHBondContact O-N 3.27Å; I605-L608 PolarHBondContact O-N 3.16Å; L606-L608 PolarHBondContact O-N 2.94Å; L608-D610 PolarHBondContact O-N 3.02Å; L608-S611 PolarHBondContact O-N 3.49Å; L608-S611 VanDerWaalsContact O-N 3.16Å; L608-S611 PolarHBondContact O-OG 2.99Å; L608-Y612 WeakPolarHBondContact O-CD2 3.4Å; L608-Y612 PolarHBondContact O-N 3.36Å
609	C	81.8	Confident	70.8	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-32.9	175.9	-68.9	0	0	0	0	112.6	I605 L606 I631 I634 K635	I605-C609 WeakPolarHBondContact O-CB 3.49Å; I605-C609 PolarHBondContact O-N 3.4Å; I605-C609 PolarHBondContact O-SG 3.45Å; L606-C609 PolarHBondContact O-N 3.18Å; C609-I631 HydrophobicContact CB-CG2 3.9Å; C609-I631 WeakPolarHBondContact O-CG2 3.42Å; C609-I634 VanDerWaalsContact SG-CG2 3.58Å; C609-K635 HydrophobicContact CB-CD 4.26Å; C609-K635 HydrophobicContact CB-CG 3.74Å
610	D	77.8	Confident	68.6	Low	67 Å²	67	78 Å²	78	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-75.8	-33.5	177.2	-150.9	53.5	0	0	0	113.5	L606 R607 L608 Y612 T613 K635 W675	L606-D610 PolarHBondContact O-N 3.49Å; R607-D610 PolarHBondContact O-N 3.08Å; L608-D610 PolarHBondContact O-N 3.02Å; D610-Y612 PolarHBondContact O-N 2.81Å; D610-T613 WeakPolarHBondContact CA-OG1 3.11Å; D610-T613 PolarHBondContact O-N 2.73Å; D610-T613 VanDerWaalsContact O-N 3.12Å; D610-T613 PolarHBondContact O-OG1 3.1Å; D610-K635 IonicContact OD1-NZ 3.34Å; D610-K635 PolarHBondContact OD1-NZ 3.35Å; D610-W675 HydrophobicContact CB-CH2 3.63Å; D610-W675 HydrophobicContact CB-CZ3 4.18Å
611	S	72.2	Confident	66.2	Low	32 Å²	32	78.2 Å²	78.2	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-64.3	-28.4	172.7	73.4	0	0	0	0	113.1	R607 L608 T613 V614	R607-S611 PolarHBondContact O-N 3.34Å; L608-S611 PolarHBondContact O-N 3.49Å; L608-S611 VanDerWaalsContact O-N 3.16Å; L608-S611 PolarHBondContact O-OG 2.99Å; S611-T613 VanDerWaalsContact C-N 3.31Å; S611-T613 PolarHBondContact O-N 3.3Å; S611-V614 PolarHBondContact O-N 2.9Å
612	Y	64.7	Low	64.1	Low	64 Å²	64	89.4 Å²	89.4	25%	0.251	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-23.1	174.6	-75.2	-74.4	0	0	0	113.3	F570 L608 D610 I619	F570-Y612 HydrophobicContact CE2-CE2 4.19Å; F570-Y612 HydrophobicContact CZ-CE2 4.33Å; L608-Y612 WeakPolarHBondContact O-CD2 3.4Å; L608-Y612 PolarHBondContact O-N 3.36Å; D610-Y612 PolarHBondContact O-N 2.81Å; Y612-I619 HydrophobicContact CD1-CD1 3.77Å; Y612-I619 HydrophobicContact CE1-CD1 3.48Å; Y612-I619 VanDerWaalsContact CE1-CD1 3.48Å
613	T	56.5	Low	62.3	Low	67 Å²	67	93.5 Å²	93.5	41%	0.411	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.9	176.6	36.2	0	0	0	0	113.2	D610 S611	D610-T613 WeakPolarHBondContact CA-OG1 3.11Å; D610-T613 PolarHBondContact O-N 2.73Å; D610-T613 VanDerWaalsContact O-N 3.12Å; D610-T613 PolarHBondContact O-OG1 3.1Å; S611-T613 VanDerWaalsContact C-N 3.31Å; S611-T613 PolarHBondContact O-N 3.3Å
614	V	51.5	Low	60.7	Low	79 Å²	79	100.6 Å²	100.6	48%	0.479	48%	0.481	S	S	.	.	S	Bend	trans	-96.5	113.5	178.9	-174.2	0	0	0	0	109.8	S611 K616	S611-V614 PolarHBondContact O-N 2.9Å; V614-K616 HydrophobicContact CG1-CB 4.16Å; V614-K616 PolarHBondContact O-N 3.28Å
615	Q	47	Very low	59.2	Low	205 Å²	205	102.1 Å²	102.1	96%	0.958	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	8.8	-179.9	-80.5	178.7	-13.2	0	0	116.5
616	K	42.1	Very low	58.1	Low	190 Å²	190	104.5 Å²	104.5	83%	0.826	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	2.4	-168.2	-76.7	-174.8	173.8	178.3	0	116.9	V614	V614-K616 HydrophobicContact CG1-CB 4.16Å; V614-K616 PolarHBondContact O-N 3.28Å
617	L	39	Very low	57.3	Low	120 Å²	120	109.2 Å²	109.2	63%	0.628	54%	0.538	S	S	*	.			trans	-109.9	112.2	175.1	-81.4	154.2	0	0	0	111.2	I619	L617-I619 HydrophobicContact CB-CG1 4.34Å; L617-I619 PolarHBondContact O-N 2.75Å
618	K	35.5	Very low	56.8	Low	214 Å²	214	109.9 Å²	109.9	93%	0.93	55%	0.546	S	S	*	.			trans	-61.7	86.6	164.5	-77.8	-178.8	177	177.8	0	108.4
619	I	42.5	Very low	56.7	Low	67 Å²	67	114.8 Å²	114.8	34%	0.344	57%	0.568	S	S	.	*			trans	-78.7	132.7	172.5	-61	173.5	0	0	0	107.7	Y612 L617 S621 K623	Y612-I619 HydrophobicContact CD1-CD1 3.77Å; Y612-I619 HydrophobicContact CE1-CD1 3.48Å; Y612-I619 VanDerWaalsContact CE1-CD1 3.48Å; L617-I619 HydrophobicContact CB-CG1 4.34Å; L617-I619 PolarHBondContact O-N 2.75Å; I619-S621 PolarHBondContact O-N 2.99Å; I619-K623 HydrophobicContact CG2-CD 4.16Å
620	P	43.4	Very low	56.6	Low	104 Å²	104	117.7 Å²	117.7	68%	0.675	58%	0.582	S	S	*	*			trans	-56.7	134.6	179.5	12.8	-21.1	0	0	0	111.8	R622	P620-R622 VanDerWaalsContact C-N 3.26Å; P620-R622 PolarHBondContact O-N 2.8Å
621	S	38.2	Very low	56.8	Low	126 Å²	126	115.1 Å²	115.1	88%	0.881	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	46.2	-162.4	36.8	0	0	0	0	117	I619	I619-S621 PolarHBondContact O-N 2.99Å
622	R	46.2	Very low	57.4	Low	246 Å²	246	118.5 Å²	118.5	93%	0.928	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	13.4	176.5	-78.9	-169.2	174.1	-178.8	-1.4	116.7	P620	P620-R622 VanDerWaalsContact C-N 3.26Å; P620-R622 PolarHBondContact O-N 2.8Å
623	K	52.4	Low	58.4	Low	87 Å²	87	117.6 Å²	117.6	38%	0.378	58%	0.583	S	S	.	*	S	Bend	trans	-102.6	135.1	-178.7	-68	-173.1	174.5	-175.2	0	111.9	I619 T625	I619-K623 HydrophobicContact CG2-CD 4.16Å; K623-T625 PolarHBondContact O-N 3.21Å
624	K	54.5	Low	59.8	Low	155 Å²	155	114.5 Å²	114.5	67%	0.674	56%	0.563	S	S	*	*			trans	-47.2	124.8	171.6	-78.5	175.5	176.8	170.5	0	108.8	Y626	K624-Y626 PolarHBondContact O-N 2.93Å; K624-Y626 VanDerWaalsContact O-N 3.09Å
625	T	56.7	Low	61.6	Low	141 Å²	141	111.7 Å²	111.7	87%	0.865	55%	0.545	S	S	*	.			trans	-69	104.7	172.8	41.8	0	0	0	0	108.7	K623	K623-T625 PolarHBondContact O-N 3.21Å
626	Y	61.8	Low	63.6	Low	49 Å²	49	104.9 Å²	104.9	19%	0.192	52%	0.515	C	S	.	.			trans	-72.4	131.9	171.6	-68.6	-73.5	0	0	0	109.9	N568 F570 K624 H630	N568-Y626 PolarHBondContact O-OH 3.28Å; F570-Y626 AromaticContact CD2-CE2 3.97Å; F570-Y626 HydrophobicContact CD2-CE2 3.97Å; F570-Y626 HydrophobicContact CE2-CE2 4.13Å; K624-Y626 PolarHBondContact O-N 2.93Å; K624-Y626 VanDerWaalsContact O-N 3.09Å; Y626-H630 AromaticContact CD1-CD2 3.38Å; Y626-H630 WeakPolarHBondContact CD1-CD2 3.35Å; Y626-H630 AromaticContact CE1-CD2 3.79Å
627	N	70.2	Confident	65.9	Low	99 Å²	99	98.2 Å²	98.2	53%	0.529	49%	0.49	S	S	.	.			trans	-65.1	146.5	170.4	-172.1	1	0	0	0	109.6	Q629 H630 I631	N627-Q629 PolarHBondContact O-N 2.94Å; N627-H630 WeakPolarHBondContact O-CA 3.4Å; N627-H630 WeakPolarHBondContact O-CB 3.31Å; N627-H630 PolarHBondContact O-N 3.15Å; N627-I631 PolarHBondContact O-N 3.47Å
628	Q	77.3	Confident	68.3	Low	147 Å²	147	92.5 Å²	92.5	69%	0.687	46%	0.46	S	S	*	.	H	α-helix	trans	-53.9	-38.5	178.3	-72.8	-178.7	-19.8	0	0	112.3	H630 I631 H632	Q628-H630 VanDerWaalsContact C-N 3.29Å; Q628-H630 PolarHBondContact O-N 3.28Å; Q628-I631 PolarHBondContact O-N 3.29Å; Q628-H632 WeakPolarHBondContact O-CB 3.33Å; Q628-H632 PolarHBondContact O-N 3.05Å
629	Q	79.6	Confident	70.9	Confident	150 Å²	150	82.3 Å²	82.3	70%	0.701	42%	0.416	S	S	*	.	H	α-helix	trans	-59.4	-39	174.5	-70.4	178.1	-19.2	0	0	112.4	N627 H632 S633	N627-Q629 PolarHBondContact O-N 2.94Å; Q629-H632 PolarHBondContact O-N 3.25Å; Q629-S633 PolarHBondContact O-N 3.31Å
630	H	80.3	Confident	73.2	Confident	63 Å²	63	81.1 Å²	81.1	29%	0.292	41%	0.413	S	S	.	.	H	α-helix	trans	-73.5	-36.9	179.6	-162.4	74.3	0	0	0	112.2	N571 Y626 N627 Q628 H632 S633 I634	N571-H630 PolarHBondContact ND2-CE1 2.6Å; N571-H630 PolarHBondContact ND2-NE2 3.4Å; Y626-H630 AromaticContact CD1-CD2 3.38Å; Y626-H630 WeakPolarHBondContact CD1-CD2 3.35Å; Y626-H630 AromaticContact CE1-CD2 3.79Å; N627-H630 WeakPolarHBondContact O-CA 3.4Å; N627-H630 WeakPolarHBondContact O-CB 3.31Å; N627-H630 PolarHBondContact O-N 3.15Å; Q628-H630 VanDerWaalsContact C-N 3.29Å; Q628-H630 PolarHBondContact O-N 3.28Å; H630-H632 VanDerWaalsContact C-N 3.32Å; H630-S633 WeakPolarHBondContact CA-OG 3.43Å; H630-S633 PolarHBondContact O-N 3.27Å; H630-S633 PolarHBondContact O-OG 2.84Å; H630-I634 WeakPolarHBondContact O-CD1 3.44Å; H630-I634 VanDerWaalsContact O-CG1 3.28Å; H630-I634 WeakPolarHBondContact O-CG1 3.47Å; H630-I634 PolarHBondContact O-N 3.31Å
631	I	81.7	Confident	75.5	Confident	13 Å²	13	78.4 Å²	78.4	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-63.8	-43	172.9	-63.4	173.6	0	0	0	109.8	C609 N627 Q628 I634 K635	C609-I631 HydrophobicContact CB-CG2 3.9Å; C609-I631 WeakPolarHBondContact O-CG2 3.42Å; N627-I631 PolarHBondContact O-N 3.47Å; Q628-I631 PolarHBondContact O-N 3.29Å; I631-I634 PolarHBondContact O-N 2.96Å; I631-K635 WeakPolarHBondContact O-CB 3.17Å; I631-K635 WeakPolarHBondContact O-CG 3.29Å; I631-K635 PolarHBondContact O-N 3.38Å
632	H	84.6	Confident	78	Confident	103 Å²	103	72.4 Å²	72.4	48%	0.477	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.6	-175.3	70.1	0	0	0	112	Q628 Q629 H630 I634 K635 L636	Q628-H632 WeakPolarHBondContact O-CB 3.33Å; Q628-H632 PolarHBondContact O-N 3.05Å; Q629-H632 PolarHBondContact O-N 3.25Å; H630-H632 VanDerWaalsContact C-N 3.32Å; H632-I634 VanDerWaalsContact C-N 3.35Å; H632-I634 PolarHBondContact O-N 3.44Å; H632-K635 WeakPolarHBondContact O-CB 3.17Å; H632-K635 PolarHBondContact O-N 2.76Å; H632-L636 WeakPolarHBondContact O-CB 3.43Å; H632-L636 PolarHBondContact O-N 3.27Å
633	S	86.3	Confident	80.1	Confident	45 Å²	45	61.1 Å²	61.1	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.9	62.9	0	0	0	0	112.4	Q629 H630 L636 T637	Q629-S633 PolarHBondContact O-N 3.31Å; H630-S633 WeakPolarHBondContact CA-OG 3.43Å; H630-S633 PolarHBondContact O-N 3.27Å; H630-S633 PolarHBondContact O-OG 2.84Å; S633-L636 PolarHBondContact O-N 3.37Å; S633-T637 PolarHBondContact O-N 2.92Å; S633-T637 PolarHBondContact O-OG1 3.5Å; S633-T637 VanDerWaalsContact O-OG1 3.04Å
634	I	85.8	Confident	81.8	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-45.7	175.4	-73.4	163.6	0	0	0	111	F570 N571 I574 I605 C609 H630 I631 H632 T638	F570-I634 HydrophobicContact CB-CD1 3.81Å; F570-I634 HydrophobicContact CB-CG1 4.34Å; F570-I634 HydrophobicContact CB-CG2 4.23Å; F570-I634 HydrophobicContact CD2-CD1 4.33Å; F570-I634 HydrophobicContact CG-CD1 4.36Å; N571-I634 WeakPolarHBondContact OD1-CG1 3.42Å; I574-I634 HydrophobicContact CD1-CG2 3.64Å; I605-I634 HydrophobicContact CG2-CG2 4.24Å; C609-I634 VanDerWaalsContact SG-CG2 3.58Å; H630-I634 WeakPolarHBondContact O-CD1 3.44Å; H630-I634 VanDerWaalsContact O-CG1 3.28Å; H630-I634 WeakPolarHBondContact O-CG1 3.47Å; H630-I634 PolarHBondContact O-N 3.31Å; I631-I634 PolarHBondContact O-N 2.96Å; H632-I634 VanDerWaalsContact C-N 3.35Å; H632-I634 PolarHBondContact O-N 3.44Å; I634-T638 WeakPolarHBondContact O-CB 3.44Å; I634-T638 PolarHBondContact O-N 3.38Å; I634-T638 PolarHBondContact O-OG1 2.82Å
635	K	88.6	Confident	83.4	Confident	20 Å²	20	54.7 Å²	54.7	9%	0.087	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-47.8	176.2	-79.7	-172.2	-174.7	-177.1	0	110.9	L606 C609 D610 I631 H632 T638 Y639 I678	L606-K635 HydrophobicContact CD2-CB 4.27Å; L606-K635 HydrophobicContact CD2-CG 4.22Å; C609-K635 HydrophobicContact CB-CD 4.26Å; C609-K635 HydrophobicContact CB-CG 3.74Å; D610-K635 IonicContact OD1-NZ 3.34Å; D610-K635 PolarHBondContact OD1-NZ 3.35Å; I631-K635 WeakPolarHBondContact O-CB 3.17Å; I631-K635 WeakPolarHBondContact O-CG 3.29Å; I631-K635 PolarHBondContact O-N 3.38Å; H632-K635 WeakPolarHBondContact O-CB 3.17Å; H632-K635 PolarHBondContact O-N 2.76Å; K635-T638 PolarHBondContact O-N 3.32Å; K635-Y639 WeakPolarHBondContact O-CB 3.36Å; K635-Y639 PolarHBondContact O-N 3.19Å; K635-I678 HydrophobicContact CB-CD1 4Å; K635-I678 HydrophobicContact CB-CG2 4.34Å; K635-I678 HydrophobicContact CD-CD1 4.43Å; K635-I678 HydrophobicContact CG-CD1 4.48Å
636	L	89	Confident	84.8	Confident	63 Å²	63	48 Å²	48	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-49.5	179.2	-173.8	69.4	0	0	0	112.2	H632 S633 T638 Y639 S640 I678 N679	H632-L636 WeakPolarHBondContact O-CB 3.43Å; H632-L636 PolarHBondContact O-N 3.27Å; S633-L636 PolarHBondContact O-N 3.37Å; L636-T638 PolarHBondContact O-N 3.32Å; L636-Y639 PolarHBondContact O-N 3.4Å; L636-S640 PolarHBondContact O-N 2.47Å; L636-I678 HydrophobicContact CB-CG2 4.39Å; L636-I678 HydrophobicContact CD1-CG2 4.19Å; L636-N679 HydrophobicContact CD1-CB 3.73Å
637	T	90.3	Very high	86	Confident	50 Å²	50	47.1 Å²	47.1	31%	0.307	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-44.5	178.2	-55.9	0	0	0	0	111.5	I574 S633 Y639 S640 Y641	I574-T637 HydrophobicContact CG2-CG2 3.97Å; S633-T637 PolarHBondContact O-N 2.92Å; S633-T637 PolarHBondContact O-OG1 3.5Å; S633-T637 VanDerWaalsContact O-OG1 3.04Å; T637-Y639 PolarHBondContact O-N 2.73Å; T637-S640 PolarHBondContact O-N 3.47Å; T637-S640 PolarHBondContact O-OG 2.81Å; T637-Y641 HydrophobicContact CG2-CD2 4.19Å; T637-Y641 HydrophobicContact CG2-CE1 4.21Å; T637-Y641 HydrophobicContact CG2-CE2 3.57Å; T637-Y641 PolarHBondContact O-N 3.46Å; T637-Y641 VanDerWaalsContact O-N 3.12Å
638	T	89.6	Confident	86.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-44.1	178.6	-56.6	0	0	0	0	111.7	I574 Y602 I605 L606 I634 K635 L636 Y641 L642	I574-T638 WeakPolarHBondContact CD1-OG1 3.43Å; Y602-T638 HydrophobicContact CD1-CG2 3.64Å; Y602-T638 HydrophobicContact CG-CG2 4.1Å; I605-T638 HydrophobicContact CG2-CG2 4.43Å; L606-T638 HydrophobicContact CD1-CG2 4.11Å; L606-T638 HydrophobicContact CD2-CG2 3.9Å; L606-T638 HydrophobicContact CG-CG2 3.69Å; I634-T638 WeakPolarHBondContact O-CB 3.44Å; I634-T638 PolarHBondContact O-N 3.38Å; I634-T638 PolarHBondContact O-OG1 2.82Å; K635-T638 PolarHBondContact O-N 3.32Å; L636-T638 PolarHBondContact O-N 3.32Å; T638-Y641 PolarHBondContact O-N 3Å; T638-L642 PolarHBondContact O-N 2.91Å; T638-L642 VanDerWaalsContact O-N 3.12Å
639	Y	91	Very high	86.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-46.2	175.9	-176.7	-99.6	0	0	0	111.6	K635 L636 T637 Y641 L642 C643 V672 W675 N679 D682 A683	K635-Y639 WeakPolarHBondContact O-CB 3.36Å; K635-Y639 PolarHBondContact O-N 3.19Å; L636-Y639 PolarHBondContact O-N 3.4Å; T637-Y639 PolarHBondContact O-N 2.73Å; Y639-Y641 VanDerWaalsContact C-N 3.25Å; Y639-Y641 PolarHBondContact O-N 3.27Å; Y639-L642 PolarHBondContact O-N 2.98Å; Y639-L642 VanDerWaalsContact O-N 3.15Å; Y639-C643 WeakPolarHBondContact CE1-SG 3.02Å; Y639-C643 PolarHBondContact O-N 3.4Å; Y639-C643 PolarHBondContact O-SG 3.34Å; Y639-V672 HydrophobicContact CE2-CG1 3.97Å; Y639-V672 WeakPolarHBondContact CE2-O 3.49Å; Y639-V672 WeakPolarHBondContact OH-CG1 3.42Å; Y639-W675 HydrophobicContact CD2-CB 3.87Å; Y639-W675 HydrophobicContact CE2-CB 4.08Å; Y639-N679 HydrophobicContact CD1-CB 4.04Å; Y639-N679 HydrophobicContact CE1-CB 4.08Å; Y639-D682 HydrophobicContact CE1-CB 4Å; Y639-A683 WeakPolarHBondContact OH-CB 3.43Å
640	S	90.3	Very high	86.5	Confident	41 Å²	41	31.5 Å²	31.5	29%	0.287	16%	0.159	S	C	.	.	H	α-helix	trans	-59.1	-35.1	177.8	75.3	0	0	0	0	113.1	L636 T637 C643 R644	L636-S640 PolarHBondContact O-N 2.47Å; T637-S640 PolarHBondContact O-N 3.47Å; T637-S640 PolarHBondContact O-OG 2.81Å; S640-C643 WeakPolarHBondContact O-CB 3.45Å; S640-C643 PolarHBondContact O-N 3.12Å; S640-R644 PolarHBondContact O-N 3.22Å
641	Y	91.8	Very high	86.2	Confident	48 Å²	48	33 Å²	33	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-74.7	-35.5	177.4	-65.1	-17.3	0	0	0	112.8	I574 N578 Y602 T637 T638 Y639 R644 I645	I574-Y641 HydrophobicContact CG2-CD2 3.74Å; I574-Y641 HydrophobicContact CG2-CE2 3.4Å; I574-Y641 VanDerWaalsContact CG2-CE2 3.4Å; N578-Y641 HydrophobicContact CB-CD2 3.71Å; N578-Y641 HydrophobicContact CB-CE1 4.4Å; N578-Y641 HydrophobicContact CB-CE2 3.37Å; N578-Y641 HydrophobicContact CB-CG 4.34Å; N578-Y641 VanDerWaalsContact CG-CZ 3.47Å; N578-Y641 PolarHBondContact ND2-OH 3.19Å; Y602-Y641 HydrophobicContact CE1-CD2 4.28Å; T637-Y641 HydrophobicContact CG2-CD2 4.19Å; T637-Y641 HydrophobicContact CG2-CE1 4.21Å; T637-Y641 HydrophobicContact CG2-CE2 3.57Å; T637-Y641 PolarHBondContact O-N 3.46Å; T637-Y641 VanDerWaalsContact O-N 3.12Å; T638-Y641 PolarHBondContact O-N 3Å; Y639-Y641 VanDerWaalsContact C-N 3.25Å; Y639-Y641 PolarHBondContact O-N 3.27Å; Y641-R644 PolarHBondContact O-N 2.91Å; Y641-I645 VanDerWaalsContact O-CG1 3.29Å; Y641-I645 WeakPolarHBondContact O-CG1 3.23Å; Y641-I645 PolarHBondContact O-N 3.4Å
642	L	91.2	Very high	85.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-43.8	170.4	-75.5	169.2	0	0	0	111.5	V599 Y602 L606 T638 Y639 R644 I645 L646 I671 V672	V599-L642 HydrophobicContact CG1-CD2 4.4Å; Y602-L642 HydrophobicContact CD2-CD2 4.03Å; Y602-L642 HydrophobicContact CD2-CG 4.37Å; Y602-L642 HydrophobicContact CG-CD2 4.31Å; Y602-L642 HydrophobicContact CG-CG 4.38Å; L606-L642 HydrophobicContact CD1-CD1 3.69Å; T638-L642 PolarHBondContact O-N 2.91Å; T638-L642 VanDerWaalsContact O-N 3.12Å; Y639-L642 PolarHBondContact O-N 2.98Å; Y639-L642 VanDerWaalsContact O-N 3.15Å; L642-R644 VanDerWaalsContact C-N 3.32Å; L642-R644 PolarHBondContact O-N 2.99Å; L642-I645 PolarHBondContact O-N 3.24Å; L642-L646 PolarHBondContact O-N 3.33Å; L642-I671 HydrophobicContact CD1-CG2 3.75Å; L642-V672 HydrophobicContact CB-CG2 4.11Å
643	C	89.3	Confident	84.3	Confident	9 Å²	9	34 Å²	34	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-45.5	173.2	-75.8	0	0	0	0	111.5	Y639 S640 L646 D647 M686	Y639-C643 WeakPolarHBondContact CE1-SG 3.02Å; Y639-C643 PolarHBondContact O-N 3.4Å; Y639-C643 PolarHBondContact O-SG 3.34Å; S640-C643 WeakPolarHBondContact O-CB 3.45Å; S640-C643 PolarHBondContact O-N 3.12Å; C643-L646 PolarHBondContact O-N 3.29Å; C643-D647 WeakPolarHBondContact O-CB 3.18Å; C643-D647 PolarHBondContact O-N 2.89Å; C643-M686 HydrophobicContact CB-CE 3.58Å; C643-M686 WeakPolarHBondContact O-CE 3.17Å
644	R	88.4	Confident	82.7	Confident	105 Å²	105	33 Å²	33	40%	0.396	17%	0.165	S	C	.	.	H	α-helix	trans	-60.8	-46.4	176.1	179.4	179	172.5	175.2	-0.4	112.6	C582 S640 Y641 L642 L646 D647 D648	C582-R644 PolarHBondContact SG-NH1 3.05Å; C582-R644 PolarHBondContact SG-NH2 3.32Å; C582-R644 VanDerWaalsContact SG-NH2 3.37Å; S640-R644 PolarHBondContact O-N 3.22Å; Y641-R644 PolarHBondContact O-N 2.91Å; L642-R644 VanDerWaalsContact C-N 3.32Å; L642-R644 PolarHBondContact O-N 2.99Å; R644-L646 PolarHBondContact O-N 3.08Å; R644-D647 PolarHBondContact O-N 3.41Å; R644-D648 IonicContact NE-OD2 2.9Å; R644-D648 WeakPolarHBondContact O-CB 3.46Å; R644-D648 PolarHBondContact O-N 2.87Å
645	I	87.3	Confident	80.8	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-40.6	178.1	-68.8	165.2	0	0	0	110.6	Y581 L595 L598 Y602 Y641 L642 L649 I668	Y581-I645 HydrophobicContact CD1-CG1 4.21Å; Y581-I645 HydrophobicContact CD2-CG1 4.29Å; Y581-I645 HydrophobicContact CE1-CG1 3.81Å; Y581-I645 HydrophobicContact CE2-CG1 3.91Å; Y581-I645 HydrophobicContact CG-CG1 4.43Å; L595-I645 HydrophobicContact CD1-CG2 3.69Å; L598-I645 HydrophobicContact CD2-CD1 3.85Å; L598-I645 HydrophobicContact CG-CD1 4.31Å; Y602-I645 HydrophobicContact CD2-CD1 4.14Å; Y602-I645 HydrophobicContact CE2-CD1 3.74Å; Y641-I645 VanDerWaalsContact O-CG1 3.29Å; Y641-I645 WeakPolarHBondContact O-CG1 3.23Å; Y641-I645 PolarHBondContact O-N 3.4Å; L642-I645 PolarHBondContact O-N 3.24Å; I645-L649 HydrophobicContact CG2-CD1 4.22Å; I645-L649 WeakPolarHBondContact O-CB 3.34Å; I645-L649 VanDerWaalsContact O-CG 3.3Å; I645-L649 WeakPolarHBondContact O-CG 3.32Å; I645-L649 PolarHBondContact O-N 2.67Å; I645-I668 HydrophobicContact CG2-CD1 4.11Å
646	L	86.7	Confident	79	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-44.9	176.5	-173.2	56.1	0	0	0	111.8	L642 C643 R644 D648 L649 L650 I665 I668 V672 M686 I690	L642-L646 PolarHBondContact O-N 3.33Å; C643-L646 PolarHBondContact O-N 3.29Å; R644-L646 PolarHBondContact O-N 3.08Å; L646-D648 PolarHBondContact O-N 3.38Å; L646-L649 WeakPolarHBondContact O-CB 3.22Å; L646-L649 PolarHBondContact O-N 2.78Å; L646-L650 HydrophobicContact CD1-CD1 4.47Å; L646-L650 HydrophobicContact CD1-CG 4.48Å; L646-L650 HydrophobicContact CG-CD1 4.09Å; L646-L650 WeakPolarHBondContact O-CG 3.38Å; L646-L650 PolarHBondContact O-N 2.69Å; L646-I665 HydrophobicContact CD1-CG2 4.47Å; L646-I668 HydrophobicContact CB-CG2 3.88Å; L646-I668 HydrophobicContact CD1-CG2 4.06Å; L646-I668 HydrophobicContact CD2-CG2 4.39Å; L646-I668 HydrophobicContact CG-CG2 4.33Å; L646-V672 HydrophobicContact CD2-CG2 4.26Å; L646-M686 HydrophobicContact CB-SD 4.18Å; L646-M686 HydrophobicContact CD2-CG 3.84Å; L646-M686 HydrophobicContact CD2-SD 3.9Å; L646-M686 HydrophobicContact CG-SD 3.99Å; L646-I690 HydrophobicContact CD2-CD1 4.16Å
647	D	86.2	Confident	77.2	Confident	30 Å²	30	33.3 Å²	33.3	16%	0.16	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-45.6	175.5	-167.4	18.3	0	0	0	111.8	C643 R644 L649 L650 N651 M686 K689	C643-D647 WeakPolarHBondContact O-CB 3.18Å; C643-D647 PolarHBondContact O-N 2.89Å; R644-D647 PolarHBondContact O-N 3.41Å; D647-L649 VanDerWaalsContact C-N 3.3Å; D647-L649 PolarHBondContact O-N 3.34Å; D647-L650 PolarHBondContact O-N 3.4Å; D647-L650 VanDerWaalsContact O-N 3.14Å; D647-N651 PolarHBondContact O-N 3.09Å; D647-N651 PolarHBondContact O-ND2 3.48Å; D647-N651 PolarHBondContact OD1-ND2 3.45Å; D647-M686 HydrophobicContact CB-CE 4.25Å; D647-K689 IonicContact OD1-NZ 3.43Å; D647-K689 IonicContact OD2-NZ 3.29Å; D647-K689 PolarHBondContact OD2-NZ 2.97Å
648	D	84	Confident	75.3	Confident	50 Å²	50	33.5 Å²	33.5	27%	0.267	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-38.7	177.2	-73	-23	0	0	0	111	Y581 R644 L646 I652	Y581-D648 WeakPolarHBondContact CE1-OD2 3.48Å; Y581-D648 WeakPolarHBondContact OH-CB 3.33Å; Y581-D648 PolarHBondContact OH-OD2 3.03Å; Y581-D648 VanDerWaalsContact OH-OD2 3.07Å; R644-D648 IonicContact NE-OD2 2.9Å; R644-D648 WeakPolarHBondContact O-CB 3.46Å; R644-D648 PolarHBondContact O-N 2.87Å; L646-D648 PolarHBondContact O-N 3.38Å; D648-I652 WeakPolarHBondContact O-CG1 3.32Å
649	L	79.1	Confident	73.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-38.9	173	-77.2	167.8	0	0	0	113.2	L589 L595 I645 L646 D647 N651 I652 V660 I665 I668	L589-L649 HydrophobicContact CD1-CD2 3.42Å; L589-L649 VanDerWaalsContact CD1-CD2 3.42Å; L589-L649 HydrophobicContact CD1-CG 3.7Å; L589-L649 HydrophobicContact CG-CD2 4.08Å; L595-L649 HydrophobicContact CD2-CD1 4.2Å; L595-L649 HydrophobicContact CD2-CD2 3.98Å; I645-L649 HydrophobicContact CG2-CD1 4.22Å; I645-L649 WeakPolarHBondContact O-CB 3.34Å; I645-L649 VanDerWaalsContact O-CG 3.3Å; I645-L649 WeakPolarHBondContact O-CG 3.32Å; I645-L649 PolarHBondContact O-N 2.67Å; L646-L649 WeakPolarHBondContact O-CB 3.22Å; L646-L649 PolarHBondContact O-N 2.78Å; D647-L649 VanDerWaalsContact C-N 3.3Å; D647-L649 PolarHBondContact O-N 3.34Å; L649-N651 VanDerWaalsContact C-N 3.33Å; L649-I652 HydrophobicContact CD2-CD1 4Å; L649-I652 WeakPolarHBondContact O-CG1 3.48Å; L649-V660 HydrophobicContact CD2-CG1 4.12Å; L649-V660 HydrophobicContact CD2-CG2 4.16Å; L649-I665 HydrophobicContact CD1-CG1 4.43Å; L649-I668 HydrophobicContact CD1-CD1 3.36Å
650	L	75.9	Confident	72.2	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-72.8	-25.8	-179.7	-68.3	166.2	0	0	0	112.7	L646 D647 M686 I690 A693	L646-L650 HydrophobicContact CD1-CD1 4.47Å; L646-L650 HydrophobicContact CD1-CG 4.48Å; L646-L650 HydrophobicContact CG-CD1 4.09Å; L646-L650 WeakPolarHBondContact O-CG 3.38Å; L646-L650 PolarHBondContact O-N 2.69Å; D647-L650 PolarHBondContact O-N 3.4Å; D647-L650 VanDerWaalsContact O-N 3.14Å; L650-M686 HydrophobicContact CD1-SD 4.31Å; L650-I690 HydrophobicContact CD1-CB 4.39Å; L650-I690 HydrophobicContact CD1-CG1 3.53Å; L650-I690 HydrophobicContact CD2-CG1 4.43Å; L650-A693 HydrophobicContact CB-CB 4.02Å; L650-A693 HydrophobicContact CD2-CB 4Å; L650-A693 HydrophobicContact CG-CB 4.5Å
651	N	73.1	Confident	71.1	Confident	95 Å²	95	42.2 Å²	42.2	51%	0.508	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3	179.1	-69.2	-47.7	0	0	0	114	D647 L649	D647-N651 PolarHBondContact O-N 3.09Å; D647-N651 PolarHBondContact O-ND2 3.48Å; D647-N651 PolarHBondContact OD1-ND2 3.45Å; L649-N651 VanDerWaalsContact C-N 3.33Å
652	I	67.4	Low	70.1	Confident	39 Å²	39	41.2 Å²	41.2	20%	0.2	20%	0.197	C	C	.	.	S	Bend	trans	-65.9	137.4	174.6	-58.3	-177.1	0	0	0	109.9	L589 D648 L649 F654 H656	L589-I652 HydrophobicContact CD1-CD1 4.35Å; L589-I652 HydrophobicContact CD2-CD1 3.36Å; L589-I652 HydrophobicContact CD2-CG1 3.9Å; L589-I652 HydrophobicContact CG-CD1 3.67Å; D648-I652 WeakPolarHBondContact O-CG1 3.32Å; L649-I652 HydrophobicContact CD2-CD1 4Å; L649-I652 WeakPolarHBondContact O-CG1 3.48Å; I652-F654 PolarHBondContact O-N 3.41Å; I652-H656 HydrophobicContact CG2-CB 3.15Å
653	E	59.1	Low	69.4	Low	98 Å²	98	45.8 Å²	45.8	46%	0.458	22%	0.222	S	C	.	.			trans	-49.9	133	170.6	-73	-174	-174.6	0	0	110.5	R83 S655 H656 Y657	R83-E653 IonicContact CZ-OE2 3.04Å; R83-E653 IonicContact NH1-OE1 2.79Å; R83-E653 IonicContact NH1-OE2 3.61Å; R83-E653 PolarHBondContact NH1-OE2 2.61Å; E653-S655 PolarHBondContact O-N 3.42Å; E653-H656 PolarHBondContact O-N 3.34Å; E653-Y657 PolarHBondContact O-N 3.38Å
654	F	52.1	Low	68.9	Low	25 Å²	25	46 Å²	46	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-47	-32.6	-174.9	-170.9	-98.8	0	0	0	114.2	I652 H656 Y657 L658 L700 I701 Y730	I652-F654 PolarHBondContact O-N 3.41Å; F654-H656 VanDerWaalsContact C-N 3.25Å; F654-H656 PolarHBondContact O-N 2.83Å; F654-Y657 WeakPolarHBondContact O-CB 3.26Å; F654-Y657 PolarHBondContact O-N 3.35Å; F654-L658 HydrophobicContact CD1-CD1 4.38Å; F654-L658 HydrophobicContact CE1-CD1 4.07Å; F654-L658 HydrophobicContact CE1-CD2 4.45Å; F654-L658 HydrophobicContact CE1-CG 4.31Å; F654-L658 HydrophobicContact CZ-CD2 4.44Å; F654-L658 PolarHBondContact O-N 3.48Å; F654-L700 HydrophobicContact CB-CD1 3.93Å; F654-I701 HydrophobicContact CE1-CD1 4.36Å; F654-I701 HydrophobicContact CE1-CG1 3.85Å; F654-I701 HydrophobicContact CE2-CD1 4Å; F654-I701 HydrophobicContact CE2-CG1 4.17Å; F654-I701 HydrophobicContact CZ-CD1 3.51Å; F654-I701 HydrophobicContact CZ-CG1 3.49Å; F654-I701 VanDerWaalsContact CZ-CG1 3.49Å; F654-Y730 HydrophobicContact CE2-CD2 4.1Å; F654-Y730 AromaticContact CE2-CE2 3.75Å; F654-Y730 HydrophobicContact CE2-CE2 3.75Å; F654-Y730 HydrophobicContact CZ-CD2 4.32Å; F654-Y730 HydrophobicContact CZ-CE2 4.33Å
655	S	47.4	Very low	68.5	Low	31 Å²	31	41.1 Å²	41.1	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-28.3	175.3	67	0	0	0	0	115	E653	E653-S655 PolarHBondContact O-N 3.42Å
656	H	50.5	Low	68.3	Low	39 Å²	39	43.2 Å²	43.2	18%	0.181	21%	0.214	C	C	.	.	H	α-helix	trans	-95	-27.2	176.6	-83.1	-85.5	0	0	0	112.4	P80 I652 E653 F654 L658 R659 V660	P80-H656 WeakPolarHBondContact CB-NE2 3.44Å; P80-H656 VanDerWaalsContact CG-NE2 3.25Å; P80-H656 WeakPolarHBondContact CG-NE2 3.47Å; I652-H656 HydrophobicContact CG2-CB 3.15Å; E653-H656 PolarHBondContact O-N 3.34Å; F654-H656 VanDerWaalsContact C-N 3.25Å; F654-H656 PolarHBondContact O-N 2.83Å; H656-L658 PolarHBondContact O-N 3.34Å; H656-R659 WeakPolarHBondContact O-CB 3.39Å; H656-R659 PolarHBondContact O-N 2.93Å; H656-V660 PolarHBondContact O-N 3.49Å
657	Y	51.1	Low	68.2	Low	19 Å²	19	47.8 Å²	47.8	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-40.3	170.1	-169.3	-95.6	0	0	0	111.2	E653 F654 R659 V660 I665 Y730 L733	E653-Y657 PolarHBondContact O-N 3.38Å; F654-Y657 WeakPolarHBondContact O-CB 3.26Å; F654-Y657 PolarHBondContact O-N 3.35Å; Y657-R659 PolarHBondContact O-N 2.84Å; Y657-V660 PolarHBondContact O-N 3.18Å; Y657-I665 HydrophobicContact CD2-CD1 4.08Å; Y657-I665 HydrophobicContact CE1-CD1 4.23Å; Y657-I665 HydrophobicContact CE2-CD1 3.47Å; Y657-I665 VanDerWaalsContact CE2-CD1 3.47Å; Y657-Y730 HydrophobicContact CE1-CD2 4.12Å; Y657-Y730 HydrophobicContact CE1-CE2 4.22Å; Y657-L733 HydrophobicContact CE1-CD2 3.7Å; Y657-L733 WeakPolarHBondContact OH-CD2 3.17Å
658	L	51	Low	68.2	Low	54 Å²	54	46.3 Å²	46.3	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	175.5	-66.6	172.9	0	0	0	114.8	F654 H656	F654-L658 HydrophobicContact CD1-CD1 4.38Å; F654-L658 HydrophobicContact CE1-CD1 4.07Å; F654-L658 HydrophobicContact CE1-CD2 4.45Å; F654-L658 HydrophobicContact CE1-CG 4.31Å; F654-L658 HydrophobicContact CZ-CD2 4.44Å; F654-L658 PolarHBondContact O-N 3.48Å; H656-L658 PolarHBondContact O-N 3.34Å
659	R	54.5	Low	68.3	Low	160 Å²	160	44 Å²	44	60%	0.604	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-21.9	178.1	-66.4	-173.5	179.3	-160.5	-2.9	113.3	H656 Y657	H656-R659 WeakPolarHBondContact O-CB 3.39Å; H656-R659 PolarHBondContact O-N 2.93Å; Y657-R659 PolarHBondContact O-N 2.84Å
660	V	59.4	Low	68.6	Low	7 Å²	7	48 Å²	48	4%	0.042	23%	0.229	C	C	.	.	S	Bend	trans	-79.2	130.9	174.6	-178.6	0	0	0	0	107.4	L595 L649 H656 Y657 P662 I665	L595-V660 HydrophobicContact CD2-CG1 4.33Å; L649-V660 HydrophobicContact CD2-CG1 4.12Å; L649-V660 HydrophobicContact CD2-CG2 4.16Å; H656-V660 PolarHBondContact O-N 3.49Å; Y657-V660 PolarHBondContact O-N 3.18Å; V660-P662 WeakPolarHBondContact O-CD 3.29Å; V660-P662 VanDerWaalsContact O-N 3.15Å; V660-I665 HydrophobicContact CG1-CG1 4.38Å
661	N	67.4	Low	69.2	Low	57 Å²	57	47.5 Å²	47.5	31%	0.305	23%	0.227	S	C	.	.			trans	-60.6	121	179.2	-174	-24.4	0	0	0	109.2	N592 N663 I664	N592-N661 PolarHBondContact OD1-N 2.89Å; N592-N661 VanDerWaalsContact OD1-N 3.11Å; N661-N663 PolarHBondContact O-N 2.93Å; N661-N663 WeakPolarHBondContact OD1-CB 3.17Å; N661-N663 VanDerWaalsContact OD1-CG 3.31Å; N661-N663 PolarHBondContact OD1-N 3.48Å; N661-N663 VanDerWaalsContact OD1-N 3.14Å; N661-I664 HydrophobicContact CB-CD1 4.15Å; N661-I664 HydrophobicContact CB-CG1 4.24Å; N661-I664 WeakPolarHBondContact O-CB 3.38Å; N661-I664 PolarHBondContact O-N 3.09Å
662	P	71.7	Confident	70	Confident	27 Å²	27	43 Å²	43	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-53.9	-32.2	-177.2	20.1	-33.2	0	0	0	112.3	V660 I664 I665 E666 K729 L733	V660-P662 WeakPolarHBondContact O-CD 3.29Å; V660-P662 VanDerWaalsContact O-N 3.15Å; P662-I664 PolarHBondContact O-N 2.81Å; P662-I664 VanDerWaalsContact O-N 3.12Å; P662-I665 PolarHBondContact O-N 2.94Å; P662-E666 WeakPolarHBondContact O-CG 3.31Å; P662-E666 PolarHBondContact O-N 3.25Å; P662-K729 HydrophobicContact CG-CB 4.44Å; P662-L733 HydrophobicContact CB-CB 4.43Å; P662-L733 HydrophobicContact CB-CD1 4.39Å; P662-L733 HydrophobicContact CB-CD2 4.05Å
663	N	76.3	Confident	70.9	Confident	97 Å²	97	44.9 Å²	44.9	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-58	-28.2	176.4	-61.3	-7.3	0	0	0	113.2	N661 R667	N661-N663 PolarHBondContact O-N 2.93Å; N661-N663 WeakPolarHBondContact OD1-CB 3.17Å; N661-N663 VanDerWaalsContact OD1-CG 3.31Å; N661-N663 PolarHBondContact OD1-N 3.48Å; N661-N663 VanDerWaalsContact OD1-N 3.14Å; N663-R667 WeakPolarHBondContact O-CB 3.3Å; N663-R667 PolarHBondContact O-N 2.84Å
664	I	78.9	Confident	72.2	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-74.1	-41.7	177.2	-62.2	174.8	0	0	0	110.2	N592 L595 A596 N661 P662 R667 I668	N592-I664 HydrophobicContact CB-CD1 3.63Å; N592-I664 WeakPolarHBondContact O-CD1 3.48Å; L595-I664 HydrophobicContact CD2-CG2 3.74Å; L595-I664 HydrophobicContact CG-CG2 3.9Å; A596-I664 HydrophobicContact CB-CD1 4.27Å; A596-I664 HydrophobicContact CB-CG1 4.44Å; N661-I664 HydrophobicContact CB-CD1 4.15Å; N661-I664 HydrophobicContact CB-CG1 4.24Å; N661-I664 WeakPolarHBondContact O-CB 3.38Å; N661-I664 PolarHBondContact O-N 3.09Å; P662-I664 PolarHBondContact O-N 2.81Å; P662-I664 VanDerWaalsContact O-N 3.12Å; I664-R667 PolarHBondContact O-N 3.02Å; I664-I668 HydrophobicContact CG2-CD1 3.83Å; I664-I668 HydrophobicContact CG2-CG1 4.38Å; I664-I668 VanDerWaalsContact O-CG1 3.25Å; I664-I668 WeakPolarHBondContact O-CG1 3.35Å; I664-I668 PolarHBondContact O-N 3.45Å
665	I	80	Confident	73.9	Confident	2 Å²	2	45 Å²	45	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-48.8	176.1	-62.2	169.3	0	0	0	109.1	L646 L649 Y657 V660 P662 R667 I668 T669 L733 M737	L646-I665 HydrophobicContact CD1-CG2 4.47Å; L649-I665 HydrophobicContact CD1-CG1 4.43Å; Y657-I665 HydrophobicContact CD2-CD1 4.08Å; Y657-I665 HydrophobicContact CE1-CD1 4.23Å; Y657-I665 HydrophobicContact CE2-CD1 3.47Å; Y657-I665 VanDerWaalsContact CE2-CD1 3.47Å; V660-I665 HydrophobicContact CG1-CG1 4.38Å; P662-I665 PolarHBondContact O-N 2.94Å; I665-R667 VanDerWaalsContact C-N 3.27Å; I665-R667 PolarHBondContact O-N 3.27Å; I665-I668 PolarHBondContact O-N 3.48Å; I665-I668 VanDerWaalsContact O-N 3.17Å; I665-T669 WeakPolarHBondContact O-CB 3.41Å; I665-T669 PolarHBondContact O-N 3.01Å; I665-T669 PolarHBondContact O-OG1 3.33Å; I665-L733 HydrophobicContact CB-CD1 4.31Å; I665-L733 HydrophobicContact CD1-CD2 4.28Å; I665-L733 HydrophobicContact CG2-CD1 4.19Å; I665-M737 HydrophobicContact CG2-CE 4.49Å; I665-M737 HydrophobicContact CG2-SD 4.12Å
666	E	82.5	Confident	75.8	Confident	46 Å²	46	43.6 Å²	43.6	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-46.6	175.2	-66.5	-179.7	174.6	0	0	111.5	P662 T669 H670 L733 F736	P662-E666 WeakPolarHBondContact O-CG 3.31Å; P662-E666 PolarHBondContact O-N 3.25Å; E666-T669 PolarHBondContact O-N 2.89Å; E666-H670 VanDerWaalsContact O-CB 3.3Å; E666-H670 WeakPolarHBondContact O-CB 3.26Å; E666-H670 PolarHBondContact O-N 3.04Å; E666-L733 HydrophobicContact CG-CD1 3.41Å; E666-L733 VanDerWaalsContact CG-CD1 3.41Å; E666-F736 VanDerWaalsContact CA-CE1 3.48Å; E666-F736 HydrophobicContact CB-CD1 3.91Å; E666-F736 HydrophobicContact CB-CE1 3.65Å; E666-F736 HydrophobicContact CB-CE2 4.43Å; E666-F736 HydrophobicContact CB-CG 4.41Å; E666-F736 HydrophobicContact CB-CZ 3.92Å; E666-F736 HydrophobicContact CG-CB 4.44Å; E666-F736 HydrophobicContact CG-CD1 3.63Å; E666-F736 HydrophobicContact CG-CD2 4.44Å; E666-F736 HydrophobicContact CG-CE1 3.94Å; E666-F736 HydrophobicContact CG-CG 3.91Å; E666-F736 HydrophobicContact CG-CZ 4.45Å; E666-F736 WeakPolarHBondContact O-CE1 3.39Å
667	R	84.4	Confident	77.5	Confident	96 Å²	96	46.7 Å²	46.7	36%	0.362	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-44.1	179.2	-176.2	176.6	-177.6	158.7	7.3	112.5	N663 I664 I665 I671	N663-R667 WeakPolarHBondContact O-CB 3.3Å; N663-R667 PolarHBondContact O-N 2.84Å; I664-R667 PolarHBondContact O-N 3.02Å; I665-R667 VanDerWaalsContact C-N 3.27Å; I665-R667 PolarHBondContact O-N 3.27Å; R667-I671 HydrophobicContact CG-CD1 3.93Å; R667-I671 VanDerWaalsContact O-CD1 3.3Å; R667-I671 WeakPolarHBondContact O-CD1 3.49Å; R667-I671 WeakPolarHBondContact O-CG1 3.46Å; R667-I671 PolarHBondContact O-N 3.15Å
668	I	86.2	Confident	79.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-49.6	178.2	-65.9	163.7	0	0	0	109.7	V599 I645 L646 L649 I664 I665 H670 I671 V672	V599-I668 HydrophobicContact CB-CG1 4.18Å; V599-I668 HydrophobicContact CG1-CG1 3.65Å; V599-I668 HydrophobicContact CG2-CD1 3.68Å; V599-I668 HydrophobicContact CG2-CG1 3.48Å; V599-I668 VanDerWaalsContact CG2-CG1 3.48Å; I645-I668 HydrophobicContact CG2-CD1 4.11Å; L646-I668 HydrophobicContact CB-CG2 3.88Å; L646-I668 HydrophobicContact CD1-CG2 4.06Å; L646-I668 HydrophobicContact CD2-CG2 4.39Å; L646-I668 HydrophobicContact CG-CG2 4.33Å; L649-I668 HydrophobicContact CD1-CD1 3.36Å; I664-I668 HydrophobicContact CG2-CD1 3.83Å; I664-I668 HydrophobicContact CG2-CG1 4.38Å; I664-I668 VanDerWaalsContact O-CG1 3.25Å; I664-I668 WeakPolarHBondContact O-CG1 3.35Å; I664-I668 PolarHBondContact O-N 3.45Å; I665-I668 PolarHBondContact O-N 3.48Å; I665-I668 VanDerWaalsContact O-N 3.17Å; I668-H670 VanDerWaalsContact C-N 3.3Å; I668-H670 PolarHBondContact O-N 2.91Å; I668-I671 PolarHBondContact O-N 3.31Å; I668-I671 VanDerWaalsContact O-N 3.12Å; I668-V672 HydrophobicContact CG2-CG2 4.25Å; I668-V672 WeakPolarHBondContact O-CG2 3.42Å; I668-V672 PolarHBondContact O-N 3.12Å
669	T	85.6	Confident	80.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-44.4	178.6	-57	0	0	0	0	111.2	I665 E666 I671 V672 Y673 M737 E740	I665-T669 WeakPolarHBondContact O-CB 3.41Å; I665-T669 PolarHBondContact O-N 3.01Å; I665-T669 PolarHBondContact O-OG1 3.33Å; E666-T669 PolarHBondContact O-N 2.89Å; T669-I671 PolarHBondContact O-N 3.18Å; T669-V672 PolarHBondContact O-N 3.44Å; T669-Y673 WeakPolarHBondContact O-CB 3.47Å; T669-Y673 PolarHBondContact O-N 2.72Å; T669-M737 HydrophobicContact CG2-CE 4.03Å; T669-M737 HydrophobicContact CG2-SD 3.78Å; T669-M737 WeakPolarHBondContact OG1-CE 3.1Å; T669-M737 PolarHBondContact OG1-SD 3.27Å; T669-E740 HydrophobicContact CG2-CB 4.38Å
670	H	87.3	Confident	82.3	Confident	87 Å²	87	38.9 Å²	38.9	40%	0.403	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-40.8	176.7	-174.4	66.7	0	0	0	112.8	E666 I668 Y673 K674 F736 E740	E666-H670 VanDerWaalsContact O-CB 3.3Å; E666-H670 WeakPolarHBondContact O-CB 3.26Å; E666-H670 PolarHBondContact O-N 3.04Å; I668-H670 VanDerWaalsContact C-N 3.3Å; I668-H670 PolarHBondContact O-N 2.91Å; H670-Y673 PolarHBondContact O-N 3.37Å; H670-K674 WeakPolarHBondContact O-CB 3.32Å; H670-K674 PolarHBondContact O-N 3.45Å; H670-F736 HydrophobicContact CB-CZ 4.21Å; H670-E740 IonicContact CE1-OE2 2.94Å; H670-E740 IonicContact ND1-OE2 2.88Å; H670-E740 PolarHBondContact ND1-OE2 2.85Å
671	I	87.4	Confident	83.7	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-45.2	176.2	-66.8	159.3	0	0	0	110.1	V599 D603 L642 R667 I668 T669 Y673 K674 W675	V599-I671 HydrophobicContact CG1-CD1 3.49Å; V599-I671 VanDerWaalsContact CG1-CD1 3.49Å; D603-I671 HydrophobicContact CB-CD1 3.84Å; D603-I671 HydrophobicContact CB-CG1 4.21Å; D603-I671 HydrophobicContact CB-CG2 4.06Å; L642-I671 HydrophobicContact CD1-CG2 3.75Å; R667-I671 HydrophobicContact CG-CD1 3.93Å; R667-I671 VanDerWaalsContact O-CD1 3.3Å; R667-I671 WeakPolarHBondContact O-CD1 3.49Å; R667-I671 WeakPolarHBondContact O-CG1 3.46Å; R667-I671 PolarHBondContact O-N 3.15Å; I668-I671 PolarHBondContact O-N 3.31Å; I668-I671 VanDerWaalsContact O-N 3.12Å; T669-I671 PolarHBondContact O-N 3.18Å; I671-Y673 VanDerWaalsContact C-N 3.34Å; I671-Y673 PolarHBondContact O-N 2.89Å; I671-K674 PolarHBondContact O-N 2.99Å; I671-W675 PolarHBondContact O-N 3.07Å
672	V	89.1	Confident	84.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-45.6	176.8	174.2	0	0	0	0	110	Y639 L642 L646 I668 T669 K674 W675 A676 L744	Y639-V672 HydrophobicContact CE2-CG1 3.97Å; Y639-V672 WeakPolarHBondContact CE2-O 3.49Å; Y639-V672 WeakPolarHBondContact OH-CG1 3.42Å; L642-V672 HydrophobicContact CB-CG2 4.11Å; L646-V672 HydrophobicContact CD2-CG2 4.26Å; I668-V672 HydrophobicContact CG2-CG2 4.25Å; I668-V672 WeakPolarHBondContact O-CG2 3.42Å; I668-V672 PolarHBondContact O-N 3.12Å; T669-V672 PolarHBondContact O-N 3.44Å; V672-K674 PolarHBondContact O-N 3.21Å; V672-W675 CarbonylContact O-C 3.55Å; V672-W675 PolarHBondContact O-N 3.31Å; V672-A676 PolarHBondContact O-N 3.26Å; V672-L744 HydrophobicContact CG1-CD2 3.95Å
673	Y	87.2	Confident	85.4	Confident	79 Å²	79	39 Å²	39	31%	0.31	19%	0.187	S	C	.	.	H	α-helix	trans	-57.3	-51.5	174	158.9	-113.2	0	0	0	112.8	T669 H670 I671 W675 A676 E740 K743 L744	T669-Y673 WeakPolarHBondContact O-CB 3.47Å; T669-Y673 PolarHBondContact O-N 2.72Å; H670-Y673 PolarHBondContact O-N 3.37Å; I671-Y673 VanDerWaalsContact C-N 3.34Å; I671-Y673 PolarHBondContact O-N 2.89Å; Y673-W675 PolarHBondContact O-N 3.43Å; Y673-A676 VanDerWaalsContact O-CB 3.24Å; Y673-A676 WeakPolarHBondContact O-CB 3.39Å; Y673-A676 PolarHBondContact O-N 2.9Å; Y673-A676 VanDerWaalsContact O-N 3.09Å; Y673-E740 WeakPolarHBondContact CD1-OE2 3.19Å; Y673-K743 HydrophobicContact CD2-CB 3.67Å; Y673-K743 HydrophobicContact CE1-CD 4.46Å; Y673-K743 HydrophobicContact CE2-CB 3.41Å; Y673-K743 VanDerWaalsContact CE2-CB 3.41Å; Y673-K743 HydrophobicContact CE2-CD 4.02Å; Y673-K743 HydrophobicContact CE2-CG 4.28Å; Y673-L744 VanDerWaalsContact CA-CD2 3.48Å
674	K	87.3	Confident	86	Confident	106 Å²	106	34.4 Å²	34.4	46%	0.461	16%	0.162	S	C	.	.	H	α-helix	trans	-55.4	-31.5	-178.8	-178	176.7	-179.1	175.3	0	113	H670 I671 V672	H670-K674 WeakPolarHBondContact O-CB 3.32Å; H670-K674 PolarHBondContact O-N 3.45Å; I671-K674 PolarHBondContact O-N 2.99Å; V672-K674 PolarHBondContact O-N 3.21Å
675	W	87.8	Confident	86.6	Confident	20 Å²	20	37 Å²	37	8%	0.076	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	9.9	-175.6	-68.6	110.8	0	0	0	113.7	L606 R607 D610 Y639 I671 V672 Y673 T677 I678	L606-W675 HydrophobicContact CB-CD2 4.07Å; L606-W675 HydrophobicContact CB-CH2 4.29Å; L606-W675 HydrophobicContact CB-CZ2 3.66Å; L606-W675 HydrophobicContact CD1-CB 4.36Å; L606-W675 HydrophobicContact CD1-CD2 4.14Å; L606-W675 HydrophobicContact CD1-CG 3.78Å; R607-W675 HydrophobicContact CG-CZ2 4.13Å; D610-W675 HydrophobicContact CB-CH2 3.63Å; D610-W675 HydrophobicContact CB-CZ3 4.18Å; Y639-W675 HydrophobicContact CD2-CB 3.87Å; Y639-W675 HydrophobicContact CE2-CB 4.08Å; I671-W675 PolarHBondContact O-N 3.07Å; V672-W675 CarbonylContact O-C 3.55Å; V672-W675 PolarHBondContact O-N 3.31Å; Y673-W675 PolarHBondContact O-N 3.43Å; W675-T677 PolarHBondContact O-N 3.22Å; W675-T677 VanDerWaalsContact O-N 3.1Å; W675-I678 HydrophobicContact CB-CD1 3.9Å; W675-I678 HydrophobicContact CD2-CD1 4.18Å; W675-I678 HydrophobicContact CE3-CD1 3.65Å; W675-I678 HydrophobicContact CE3-CG1 4.29Å; W675-I678 HydrophobicContact CG-CD1 4.33Å; W675-I678 WeakPolarHBondContact O-CB 3.45Å; W675-I678 WeakPolarHBondContact O-CG1 3.22Å; W675-I678 PolarHBondContact O-N 2.91Å
676	A	86.8	Confident	87	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.008	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.6	-174.8	0	0	0	0	0	114.2	V672 Y673 I678 N679 A683 L744 P747	V672-A676 PolarHBondContact O-N 3.26Å; Y673-A676 VanDerWaalsContact O-CB 3.24Å; Y673-A676 WeakPolarHBondContact O-CB 3.39Å; Y673-A676 PolarHBondContact O-N 2.9Å; Y673-A676 VanDerWaalsContact O-N 3.09Å; A676-I678 PolarHBondContact O-N 3.38Å; A676-N679 CarbonylContact O-C 3.59Å; A676-N679 PolarHBondContact O-N 2.95Å; A676-A683 HydrophobicContact CB-CB 3.77Å; A676-L744 HydrophobicContact CB-CD2 3.95Å; A676-P747 HydrophobicContact CB-CG 3.79Å
677	T	85.2	Confident	87.4	Confident	103 Å²	103	35 Å²	35	63%	0.632	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.2	174.1	55.7	0	0	0	0	113.7	W675 P747	W675-T677 PolarHBondContact O-N 3.22Å; W675-T677 VanDerWaalsContact O-N 3.1Å; T677-P747 HydrophobicContact CG2-CB 4.25Å; T677-P747 HydrophobicContact CG2-CG 4.34Å
678	I	85.6	Confident	87.6	Confident	23 Å²	23	33.2 Å²	33.2	12%	0.118	16%	0.161	C	C	.	.	S	Bend	trans	-68.3	-44.6	176.6	-64.3	170.5	0	0	0	110.9	L606 K635 L636 W675 A676	L606-I678 HydrophobicContact CD2-CD1 4Å; K635-I678 HydrophobicContact CB-CD1 4Å; K635-I678 HydrophobicContact CB-CG2 4.34Å; K635-I678 HydrophobicContact CD-CD1 4.43Å; K635-I678 HydrophobicContact CG-CD1 4.48Å; L636-I678 HydrophobicContact CB-CG2 4.39Å; L636-I678 HydrophobicContact CD1-CG2 4.19Å; W675-I678 HydrophobicContact CB-CD1 3.9Å; W675-I678 HydrophobicContact CD2-CD1 4.18Å; W675-I678 HydrophobicContact CE3-CD1 3.65Å; W675-I678 HydrophobicContact CE3-CG1 4.29Å; W675-I678 HydrophobicContact CG-CD1 4.33Å; W675-I678 WeakPolarHBondContact O-CB 3.45Å; W675-I678 WeakPolarHBondContact O-CG1 3.22Å; W675-I678 PolarHBondContact O-N 2.91Å; A676-I678 PolarHBondContact O-N 3.38Å
679	N	87	Confident	87.7	Confident	33 Å²	33	37.1 Å²	37.1	18%	0.176	18%	0.178	C	C	.	.			trans	-140.7	88.8	175.9	-169	-7.3	0	0	0	110.6	L636 Y639 A676 K681 D682 A683	L636-N679 HydrophobicContact CD1-CB 3.73Å; Y639-N679 HydrophobicContact CD1-CB 4.04Å; Y639-N679 HydrophobicContact CE1-CB 4.08Å; A676-N679 CarbonylContact O-C 3.59Å; A676-N679 PolarHBondContact O-N 2.95Å; N679-K681 VanDerWaalsContact C-N 3.27Å; N679-K681 PolarHBondContact O-N 3.05Å; N679-K681 PolarHBondContact OD1-N 2.73Å; N679-D682 HydrophobicContact CB-CB 4.18Å; N679-D682 PolarHBondContact ND2-OD1 2.86Å; N679-D682 VanDerWaalsContact ND2-OD1 3.11Å; N679-D682 PolarHBondContact ND2-OD2 2.99Å; N679-D682 PolarHBondContact O-N 3.46Å; N679-D682 PolarHBondContact OD1-N 3.03Å; N679-A683 PolarHBondContact O-N 3.08Å; N679-A683 VanDerWaalsContact O-N 3.12Å
680	P	85.7	Confident	87.7	Confident	14 Å²	14	37.1 Å²	37.1	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-29.6	-177.8	-26.7	36.9	0	0	0	114.6	A683 L684 P747 I748 Q751	P680-A683 PolarHBondContact O-N 3.47Å; P680-L684 PolarHBondContact O-N 3.47Å; P680-L684 VanDerWaalsContact O-N 3.16Å; P680-P747 HydrophobicContact CB-CB 4.05Å; P680-P747 HydrophobicContact CG-CB 4.15Å; P680-I748 HydrophobicContact CB-CB 3.91Å; P680-I748 HydrophobicContact CB-CG1 4.13Å; P680-Q751 VanDerWaalsContact CG-OE1 3.3Å
681	K	87.5	Confident	87.7	Confident	45 Å²	45	33 Å²	33	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-50.1	177.1	-71.7	-179.5	175.7	-178.4	0	110.9	N679 A683 L684 E685 I748 E766 W770	N679-K681 VanDerWaalsContact C-N 3.27Å; N679-K681 PolarHBondContact O-N 3.05Å; N679-K681 PolarHBondContact OD1-N 2.73Å; K681-A683 VanDerWaalsContact C-N 3.3Å; K681-A683 PolarHBondContact O-N 3.02Å; K681-L684 PolarHBondContact O-N 3.14Å; K681-E685 PolarHBondContact O-N 3Å; K681-E685 VanDerWaalsContact O-N 3.13Å; K681-I748 HydrophobicContact CG-CD1 4.34Å; K681-E766 IonicContact NZ-OE2 3.82Å; K681-E766 PolarHBondContact NZ-OE2 3.47Å; K681-W770 HydrophobicContact CB-CH2 3.64Å; K681-W770 HydrophobicContact CB-CZ2 3.84Å; K681-W770 HydrophobicContact CB-CZ3 4.02Å; K681-W770 HydrophobicContact CD-CD2 4.38Å; K681-W770 HydrophobicContact CD-CH2 4.36Å; K681-W770 HydrophobicContact CD-CZ2 3.64Å; K681-W770 HydrophobicContact CG-CD2 4.07Å; K681-W770 HydrophobicContact CG-CE3 4.3Å; K681-W770 HydrophobicContact CG-CH2 3.99Å; K681-W770 HydrophobicContact CG-CZ2 3.75Å; K681-W770 HydrophobicContact CG-CZ3 4.26Å
682	D	86.8	Confident	87.6	Confident	48 Å²	48	35.8 Å²	35.8	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-63.5	-35.5	176.7	-72.7	5.4	0	0	0	112.1	Y639 N679 E685 M686	Y639-D682 HydrophobicContact CE1-CB 4Å; N679-D682 HydrophobicContact CB-CB 4.18Å; N679-D682 PolarHBondContact ND2-OD1 2.86Å; N679-D682 VanDerWaalsContact ND2-OD1 3.11Å; N679-D682 PolarHBondContact ND2-OD2 2.99Å; N679-D682 PolarHBondContact O-N 3.46Å; N679-D682 PolarHBondContact OD1-N 3.03Å; D682-E685 PolarHBondContact O-N 3.44Å; D682-M686 WeakPolarHBondContact O-CB 3.4Å; D682-M686 PolarHBondContact O-N 3.17Å
683	A	89	Confident	87.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-45.1	177	0	0	0	0	0	111.9	Y639 A676 N679 P680 K681 M686 S687 L744	Y639-A683 WeakPolarHBondContact OH-CB 3.43Å; A676-A683 HydrophobicContact CB-CB 3.77Å; N679-A683 PolarHBondContact O-N 3.08Å; N679-A683 VanDerWaalsContact O-N 3.12Å; P680-A683 PolarHBondContact O-N 3.47Å; K681-A683 VanDerWaalsContact C-N 3.3Å; K681-A683 PolarHBondContact O-N 3.02Å; A683-M686 PolarHBondContact O-N 2.99Å; A683-S687 PolarHBondContact O-N 3.33Å; A683-L744 HydrophobicContact CB-CB 4.47Å; A683-L744 HydrophobicContact CB-CD2 4.35Å
684	L	89.5	Confident	87.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-44.6	176	179	64.1	0	0	0	111.5	P680 K681 M686 S687 M688 C745 I748 W770 K773 L774 T777	P680-L684 PolarHBondContact O-N 3.47Å; P680-L684 VanDerWaalsContact O-N 3.16Å; K681-L684 PolarHBondContact O-N 3.14Å; L684-M686 VanDerWaalsContact C-N 3.29Å; L684-M686 PolarHBondContact O-N 3.5Å; L684-S687 WeakPolarHBondContact O-CB 3.45Å; L684-S687 PolarHBondContact O-N 2.82Å; L684-S687 VanDerWaalsContact O-N 3.17Å; L684-M688 WeakPolarHBondContact O-CG 3.29Å; L684-M688 PolarHBondContact O-N 3.25Å; L684-C745 HydrophobicContact CD1-CB 4.24Å; L684-I748 HydrophobicContact CB-CD1 4.19Å; L684-I748 HydrophobicContact CD2-CD1 3.7Å; L684-I748 HydrophobicContact CD2-CG2 4.34Å; L684-W770 HydrophobicContact CD2-CE3 3.97Å; L684-W770 HydrophobicContact CD2-CZ3 4.3Å; L684-K773 HydrophobicContact CD2-CB 3.92Å; L684-L774 HydrophobicContact CD1-CD1 4.06Å; L684-L774 HydrophobicContact CD2-CB 4.11Å; L684-T777 HydrophobicContact CD1-CG2 4.12Å
685	E	89.7	Confident	87	Confident	68 Å²	68	30.3 Å²	30.3	32%	0.318	15%	0.154	S	C	.	.	H	α-helix	trans	-62.8	-37.4	177.1	-68.3	-165.4	161.8	0	0	112.3	K681 D682 M688 K689 W770 K773	K681-E685 PolarHBondContact O-N 3Å; K681-E685 VanDerWaalsContact O-N 3.13Å; D682-E685 PolarHBondContact O-N 3.44Å; E685-M688 WeakPolarHBondContact O-CB 3.28Å; E685-M688 PolarHBondContact O-N 3.24Å; E685-K689 WeakPolarHBondContact O-CG 3.28Å; E685-K689 PolarHBondContact O-N 2.74Å; E685-W770 HydrophobicContact CG-CH2 4Å; E685-W770 HydrophobicContact CG-CZ3 3.99Å; E685-W770 WeakPolarHBondContact OE1-CH2 3.44Å; E685-K773 IonicContact OE1-NZ 2.93Å; E685-K773 PolarHBondContact OE1-NZ 3.29Å
686	M	88.7	Confident	86.6	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.034	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-42.8	174	-167.5	54.8	54.2	0	0	111.5	C643 L646 D647 L650 D682 A683 L684 M688 K689 I690 L744	C643-M686 HydrophobicContact CB-CE 3.58Å; C643-M686 WeakPolarHBondContact O-CE 3.17Å; L646-M686 HydrophobicContact CB-SD 4.18Å; L646-M686 HydrophobicContact CD2-CG 3.84Å; L646-M686 HydrophobicContact CD2-SD 3.9Å; L646-M686 HydrophobicContact CG-SD 3.99Å; D647-M686 HydrophobicContact CB-CE 4.25Å; L650-M686 HydrophobicContact CD1-SD 4.31Å; D682-M686 WeakPolarHBondContact O-CB 3.4Å; D682-M686 PolarHBondContact O-N 3.17Å; A683-M686 PolarHBondContact O-N 2.99Å; L684-M686 VanDerWaalsContact C-N 3.29Å; L684-M686 PolarHBondContact O-N 3.5Å; M686-M688 VanDerWaalsContact C-N 3.32Å; M686-M688 PolarHBondContact O-N 2.85Å; M686-K689 PolarHBondContact O-N 2.94Å; M686-K689 VanDerWaalsContact O-N 3.15Å; M686-I690 HydrophobicContact CG-CD1 4.03Å; M686-I690 HydrophobicContact CG-CG1 4.49Å; M686-I690 VanDerWaalsContact O-CG1 3.25Å; M686-I690 WeakPolarHBondContact O-CG1 3.47Å; M686-I690 PolarHBondContact O-N 2.86Å; M686-L744 HydrophobicContact CG-CD1 4.49Å
687	S	90.9	Very high	86.1	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-45.7	174.7	-166.2	0	0	0	0	111.8	A683 L684 K689 I690 I691 S741 C745 W781	A683-S687 PolarHBondContact O-N 3.33Å; L684-S687 WeakPolarHBondContact O-CB 3.45Å; L684-S687 PolarHBondContact O-N 2.82Å; L684-S687 VanDerWaalsContact O-N 3.17Å; S687-K689 PolarHBondContact O-N 3.37Å; S687-I690 PolarHBondContact O-N 3.35Å; S687-I691 PolarHBondContact O-N 3.23Å; S687-I691 VanDerWaalsContact O-N 3.11Å; S687-S741 PolarHBondContact OG-O 3.26Å; S687-C745 PolarHBondContact OG-SG 3.07Å; S687-W781 PolarHBondContact OG-NE1 3.26Å
688	M	89.5	Confident	85.7	Confident	57 Å²	57	33 Å²	33	28%	0.281	16%	0.156	S	C	.	.	H	α-helix	trans	-60.3	-41.8	174.5	-68.5	175.8	72.7	0	0	112.8	L684 E685 M686 I691 N692 K773 T777	L684-M688 WeakPolarHBondContact O-CG 3.29Å; L684-M688 PolarHBondContact O-N 3.25Å; E685-M688 WeakPolarHBondContact O-CB 3.28Å; E685-M688 PolarHBondContact O-N 3.24Å; M686-M688 VanDerWaalsContact C-N 3.32Å; M686-M688 PolarHBondContact O-N 2.85Å; M688-I691 VanDerWaalsContact O-CG2 3.22Å; M688-I691 WeakPolarHBondContact O-CG2 3.18Å; M688-N692 WeakPolarHBondContact O-CB 3.34Å; M688-N692 VanDerWaalsContact O-CG 3.31Å; M688-N692 PolarHBondContact O-N 3.27Å; M688-N692 PolarHBondContact O-ND2 3.21Å; M688-K773 HydrophobicContact SD-CB 4.35Å; M688-K773 HydrophobicContact SD-CD 4.39Å; M688-K773 HydrophobicContact SD-CG 4.41Å; M688-T777 HydrophobicContact CG-CG2 3.69Å; M688-T777 WeakPolarHBondContact CG-OG1 3.43Å
689	K	87.4	Confident	85.3	Confident	82 Å²	82	36.8 Å²	36.8	36%	0.357	18%	0.176	S	C	.	.	H	α-helix	trans	-66.7	-42.6	179	-74.1	173.6	174.9	-171.9	0	111.6	D647 E685 M686 S687 N692 A693	D647-K689 IonicContact OD1-NZ 3.43Å; D647-K689 IonicContact OD2-NZ 3.29Å; D647-K689 PolarHBondContact OD2-NZ 2.97Å; E685-K689 WeakPolarHBondContact O-CG 3.28Å; E685-K689 PolarHBondContact O-N 2.74Å; M686-K689 PolarHBondContact O-N 2.94Å; M686-K689 VanDerWaalsContact O-N 3.15Å; S687-K689 PolarHBondContact O-N 3.37Å; K689-N692 PolarHBondContact O-N 3.12Å; K689-A693 WeakPolarHBondContact O-CB 3.22Å; K689-A693 PolarHBondContact O-N 2.67Å
690	I	85.9	Confident	84.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-53.7	177.3	-69.6	164.4	0	0	0	110.6	L646 L650 M686 S687 N692 A693 L694 M737 L744 W781	L646-I690 HydrophobicContact CD2-CD1 4.16Å; L650-I690 HydrophobicContact CD1-CB 4.39Å; L650-I690 HydrophobicContact CD1-CG1 3.53Å; L650-I690 HydrophobicContact CD2-CG1 4.43Å; M686-I690 HydrophobicContact CG-CD1 4.03Å; M686-I690 HydrophobicContact CG-CG1 4.49Å; M686-I690 VanDerWaalsContact O-CG1 3.25Å; M686-I690 WeakPolarHBondContact O-CG1 3.47Å; M686-I690 PolarHBondContact O-N 2.86Å; S687-I690 PolarHBondContact O-N 3.35Å; I690-N692 VanDerWaalsContact C-N 3.28Å; I690-N692 PolarHBondContact O-N 2.69Å; I690-A693 PolarHBondContact O-N 3.23Å; I690-A693 VanDerWaalsContact O-N 3.12Å; I690-L694 HydrophobicContact CG2-CD1 3.96Å; I690-L694 HydrophobicContact CG2-CG 4.33Å; I690-L694 WeakPolarHBondContact O-CG 3.46Å; I690-L694 PolarHBondContact O-N 3.28Å; I690-M737 HydrophobicContact CB-CE 4.36Å; I690-M737 HydrophobicContact CD1-CE 3.98Å; I690-M737 HydrophobicContact CG1-CE 3.99Å; I690-M737 HydrophobicContact CG2-CE 3.41Å; I690-M737 VanDerWaalsContact CG2-CE 3.41Å; I690-L744 HydrophobicContact CD1-CD1 3.89Å; I690-W781 HydrophobicContact CB-CZ2 4.41Å; I690-W781 HydrophobicContact CG2-CH2 3.81Å; I690-W781 HydrophobicContact CG2-CZ2 4.12Å
691	I	87.4	Confident	83.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-37.9	-177.3	-174.2	155.1	0	0	0	112.2	S687 M688 L694 K695 D780 W781 Y784	S687-I691 PolarHBondContact O-N 3.23Å; S687-I691 VanDerWaalsContact O-N 3.11Å; M688-I691 VanDerWaalsContact O-CG2 3.22Å; M688-I691 WeakPolarHBondContact O-CG2 3.18Å; I691-L694 PolarHBondContact O-N 2.96Å; I691-K695 HydrophobicContact CG1-CD 4.3Å; I691-K695 HydrophobicContact CG1-CG 4.43Å; I691-K695 WeakPolarHBondContact O-CB 3.39Å; I691-K695 WeakPolarHBondContact O-CG 3.45Å; I691-K695 PolarHBondContact O-N 2.89Å; I691-D780 HydrophobicContact CD1-CB 3.73Å; I691-D780 VanDerWaalsContact CD1-O 3.31Å; I691-D780 WeakPolarHBondContact CD1-O 3.39Å; I691-W781 HydrophobicContact CB-CD2 4.33Å; I691-W781 HydrophobicContact CB-CH2 4Å; I691-W781 HydrophobicContact CB-CZ2 3.76Å; I691-W781 HydrophobicContact CB-CZ3 4.36Å; I691-W781 HydrophobicContact CD1-CB 4.38Å; I691-W781 HydrophobicContact CD1-CD2 3.65Å; I691-W781 HydrophobicContact CD1-CE3 3.77Å; I691-W781 HydrophobicContact CD1-CG 3.93Å; I691-W781 HydrophobicContact CD1-CZ3 4.29Å; I691-W781 HydrophobicContact CG1-CD2 4.48Å; I691-W781 HydrophobicContact CG1-CE3 4.45Å; I691-W781 HydrophobicContact CG1-CZ3 4.5Å; I691-Y784 HydrophobicContact CD1-CG 4.28Å; I691-Y784 HydrophobicContact CG1-CG 4.41Å
692	N	86.5	Confident	82.9	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.342	21%	0.209	S	C	.	.	H	α-helix	trans	-66	-39	176	-76	-43.5	0	0	0	112.1	M688 K689 I690 R696	M688-N692 WeakPolarHBondContact O-CB 3.34Å; M688-N692 VanDerWaalsContact O-CG 3.31Å; M688-N692 PolarHBondContact O-N 3.27Å; M688-N692 PolarHBondContact O-ND2 3.21Å; K689-N692 PolarHBondContact O-N 3.12Å; I690-N692 VanDerWaalsContact C-N 3.28Å; I690-N692 PolarHBondContact O-N 2.69Å; N692-R696 VanDerWaalsContact O-CG 3.26Å; N692-R696 WeakPolarHBondContact O-CG 3.36Å; N692-R696 PolarHBondContact O-N 3.22Å
693	A	81.9	Confident	81.8	Confident	7 Å²	7	45.3 Å²	45.3	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-40.3	175.7	0	0	0	0	0	112.1	L650 K689 I690 R696 S697	L650-A693 HydrophobicContact CB-CB 4.02Å; L650-A693 HydrophobicContact CD2-CB 4Å; L650-A693 HydrophobicContact CG-CB 4.5Å; K689-A693 WeakPolarHBondContact O-CB 3.22Å; K689-A693 PolarHBondContact O-N 2.67Å; I690-A693 PolarHBondContact O-N 3.23Å; I690-A693 VanDerWaalsContact O-N 3.12Å; A693-R696 PolarHBondContact O-N 3.32Å; A693-S697 WeakPolarHBondContact O-CB 3.2Å; A693-S697 PolarHBondContact O-N 3.24Å; A693-S697 PolarHBondContact O-OG 3.12Å
694	L	83.1	Confident	80.4	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-48.4	175.3	-70.7	177.8	0	0	0	111.7	I690 I691 R696 S697 D698 V734 M737 W781 Y784	I690-L694 HydrophobicContact CG2-CD1 3.96Å; I690-L694 HydrophobicContact CG2-CG 4.33Å; I690-L694 WeakPolarHBondContact O-CG 3.46Å; I690-L694 PolarHBondContact O-N 3.28Å; I691-L694 PolarHBondContact O-N 2.96Å; L694-R696 VanDerWaalsContact C-N 3.3Å; L694-R696 PolarHBondContact O-N 3.42Å; L694-S697 WeakPolarHBondContact O-CB 3.29Å; L694-S697 PolarHBondContact O-N 3.42Å; L694-D698 PolarHBondContact O-N 3.42Å; L694-V734 HydrophobicContact CD2-CG2 4.24Å; L694-M737 HydrophobicContact CD1-CB 4.07Å; L694-W781 HydrophobicContact CD1-CH2 4.11Å; L694-W781 HydrophobicContact CD1-CZ3 4.26Å; L694-Y784 HydrophobicContact CB-CE1 4.1Å; L694-Y784 HydrophobicContact CB-CE2 4.46Å; L694-Y784 HydrophobicContact CD1-CE1 3.94Å
695	K	84.8	Confident	78.9	Confident	60 Å²	60	53.4 Å²	53.4	26%	0.261	26%	0.262	S	S	.	.	H	α-helix	trans	-55.9	-42	174.3	-74.6	176.8	178.1	178.4	0	112.1	I691 N699 D780 Y784	I691-K695 HydrophobicContact CG1-CD 4.3Å; I691-K695 HydrophobicContact CG1-CG 4.43Å; I691-K695 WeakPolarHBondContact O-CB 3.39Å; I691-K695 WeakPolarHBondContact O-CG 3.45Å; I691-K695 PolarHBondContact O-N 2.89Å; K695-N699 VanDerWaalsContact O-CG 3.28Å; K695-N699 PolarHBondContact O-N 2.73Å; K695-N699 PolarHBondContact O-ND2 2.97Å; K695-D780 VanDerWaalsContact NZ-CG 3.28Å; K695-D780 IonicContact NZ-OD1 3.27Å; K695-D780 PolarHBondContact NZ-OD1 3.41Å; K695-D780 IonicContact NZ-OD2 3.87Å; K695-Y784 HydrophobicContact CG-CD2 3.86Å; K695-Y784 HydrophobicContact CG-CE2 4.07Å
696	R	80.7	Confident	77.2	Confident	146 Å²	146	55.1 Å²	55.1	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-64.4	-41.5	175.1	-72.4	175.2	-156.7	161.4	5.2	112.2	N692 A693 L694 N699 L700	N692-R696 VanDerWaalsContact O-CG 3.26Å; N692-R696 WeakPolarHBondContact O-CG 3.36Å; N692-R696 PolarHBondContact O-N 3.22Å; A693-R696 PolarHBondContact O-N 3.32Å; L694-R696 VanDerWaalsContact C-N 3.3Å; L694-R696 PolarHBondContact O-N 3.42Å; R696-N699 PolarHBondContact O-N 3Å; R696-L700 WeakPolarHBondContact O-CG 3.36Å; R696-L700 PolarHBondContact O-N 3.5Å
697	S	75	Confident	75.3	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-44	-178.5	-62.7	0	0	0	0	111.8	A693 L694 N699 L700 I701 Y730	A693-S697 WeakPolarHBondContact O-CB 3.2Å; A693-S697 PolarHBondContact O-N 3.24Å; A693-S697 PolarHBondContact O-OG 3.12Å; L694-S697 WeakPolarHBondContact O-CB 3.29Å; L694-S697 PolarHBondContact O-N 3.42Å; S697-N699 VanDerWaalsContact C-N 3.31Å; S697-N699 PolarHBondContact O-N 3.28Å; S697-L700 WeakPolarHBondContact O-CB 3.08Å; S697-L700 PolarHBondContact O-N 2.98Å; S697-L700 VanDerWaalsContact O-N 3.13Å; S697-I701 WeakPolarHBondContact O-CG1 3.28Å; S697-I701 PolarHBondContact O-N 2.74Å; S697-Y730 WeakPolarHBondContact CB-OH 3.38Å
698	D	76.6	Confident	73.2	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-38.2	176.7	-71.2	-7.1	0	0	0	112.2	L694 L700 I701 K702 Y730 Y784 H788	L694-D698 PolarHBondContact O-N 3.42Å; D698-L700 VanDerWaalsContact C-N 3.32Å; D698-L700 PolarHBondContact O-N 3.13Å; D698-I701 PolarHBondContact O-N 3.1Å; D698-K702 WeakPolarHBondContact O-CG 3.45Å; D698-K702 PolarHBondContact O-N 3.28Å; D698-Y730 WeakPolarHBondContact OD1-CE1 3.36Å; D698-Y730 PolarHBondContact OD1-OH 3.43Å; D698-Y784 VanDerWaalsContact OD2-CE2 3.27Å; D698-Y784 WeakPolarHBondContact OD2-CE2 3.24Å; D698-Y784 VanDerWaalsContact OD2-CZ 3.31Å; D698-Y784 PolarHBondContact OD2-OH 2.92Å; D698-H788 IonicContact OD2-CE1 3.98Å; D698-H788 PolarHBondContact OD2-CE1 3.22Å; D698-H788 IonicContact OD2-NE2 3.71Å; D698-H788 PolarHBondContact OD2-NE2 3.41Å
699	N	77.4	Confident	71.1	Confident	102 Å²	102	65.6 Å²	65.6	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-39.2	174.9	-73.1	-18.1	0	0	0	111.9	K695 R696 S697 T703	K695-N699 VanDerWaalsContact O-CG 3.28Å; K695-N699 PolarHBondContact O-N 2.73Å; K695-N699 PolarHBondContact O-ND2 2.97Å; R696-N699 PolarHBondContact O-N 3Å; S697-N699 VanDerWaalsContact C-N 3.31Å; S697-N699 PolarHBondContact O-N 3.28Å; N699-T703 PolarHBondContact O-N 3.12Å; N699-T703 VanDerWaalsContact O-N 3.15Å; N699-T703 PolarHBondContact O-OG1 3.29Å
700	L	70.7	Confident	68.8	Low	82 Å²	82	66.9 Å²	66.9	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-44.4	176.2	-72.2	167.5	0	0	0	111.8	F654 R696 S697 D698 K702 T703 I704	F654-L700 HydrophobicContact CB-CD1 3.93Å; R696-L700 WeakPolarHBondContact O-CG 3.36Å; R696-L700 PolarHBondContact O-N 3.5Å; S697-L700 WeakPolarHBondContact O-CB 3.08Å; S697-L700 PolarHBondContact O-N 2.98Å; S697-L700 VanDerWaalsContact O-N 3.13Å; D698-L700 VanDerWaalsContact C-N 3.32Å; D698-L700 PolarHBondContact O-N 3.13Å; L700-K702 PolarHBondContact O-N 3.19Å; L700-T703 WeakPolarHBondContact CA-OG1 3.37Å; L700-T703 PolarHBondContact O-N 3.33Å; L700-T703 PolarHBondContact O-OG1 2.87Å; L700-I704 VanDerWaalsContact O-CG1 3.32Å; L700-I704 WeakPolarHBondContact O-CG1 2.9Å; L700-I704 PolarHBondContact O-N 3.42Å; L700-I704 VanDerWaalsContact O-N 3.11Å
701	I	70	Confident	66.3	Low	29 Å²	29	71 Å²	71	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-62.2	-43.4	178.3	-62.9	166	0	0	0	110.8	F654 S697 D698 T703 I704 N705 Y730	F654-I701 HydrophobicContact CE1-CD1 4.36Å; F654-I701 HydrophobicContact CE1-CG1 3.85Å; F654-I701 HydrophobicContact CE2-CD1 4Å; F654-I701 HydrophobicContact CE2-CG1 4.17Å; F654-I701 HydrophobicContact CZ-CD1 3.51Å; F654-I701 HydrophobicContact CZ-CG1 3.49Å; F654-I701 VanDerWaalsContact CZ-CG1 3.49Å; S697-I701 WeakPolarHBondContact O-CG1 3.28Å; S697-I701 PolarHBondContact O-N 2.74Å; D698-I701 PolarHBondContact O-N 3.1Å; I701-T703 PolarHBondContact O-N 3.04Å; I701-I704 PolarHBondContact O-N 3.46Å; I701-N705 PolarHBondContact O-N 3.19Å; I701-N705 VanDerWaalsContact O-N 3.09Å; I701-Y730 HydrophobicContact CD1-CD1 3.62Å; I701-Y730 HydrophobicContact CD1-CE1 3.27Å; I701-Y730 HydrophobicContact CD1-CE2 4.4Å; I701-Y730 HydrophobicContact CD1-CG 4.31Å
702	K	70.3	Confident	63.7	Low	130 Å²	130	75.4 Å²	75.4	57%	0.565	43%	0.431	S	S	*	.	H	α-helix	trans	-57.7	-47.9	175.7	-74.4	175.9	-177.6	178.2	0	111.6	D698 L700 I704 N705 D706	D698-K702 WeakPolarHBondContact O-CG 3.45Å; D698-K702 PolarHBondContact O-N 3.28Å; L700-K702 PolarHBondContact O-N 3.19Å; K702-I704 VanDerWaalsContact C-N 3.29Å; K702-I704 PolarHBondContact O-N 3.08Å; K702-N705 PolarHBondContact O-N 2.66Å; K702-D706 PolarHBondContact O-N 2.85Å
703	T	62.7	Low	60.9	Low	79 Å²	79	76.2 Å²	76.2	49%	0.485	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-34.3	177	36.5	0	0	0	0	113.8	N699 L700 I701 V707	N699-T703 PolarHBondContact O-N 3.12Å; N699-T703 VanDerWaalsContact O-N 3.15Å; N699-T703 PolarHBondContact O-OG1 3.29Å; L700-T703 WeakPolarHBondContact CA-OG1 3.37Å; L700-T703 PolarHBondContact O-N 3.33Å; L700-T703 PolarHBondContact O-OG1 2.87Å; I701-T703 PolarHBondContact O-N 3.04Å; T703-V707 VanDerWaalsContact O-CG2 3.25Å; T703-V707 WeakPolarHBondContact O-CG2 3.26Å; T703-V707 PolarHBondContact O-N 3.06Å
704	I	59.9	Low	58.4	Low	79 Å²	79	84.7 Å²	84.7	41%	0.405	48%	0.479	S	S	.	.	H	α-helix	trans	-70.5	-39.6	178.7	-66	167	0	0	0	110.8	L700 I701 K702 S708 I722	L700-I704 VanDerWaalsContact O-CG1 3.32Å; L700-I704 WeakPolarHBondContact O-CG1 2.9Å; L700-I704 PolarHBondContact O-N 3.42Å; L700-I704 VanDerWaalsContact O-N 3.11Å; I701-I704 PolarHBondContact O-N 3.46Å; K702-I704 VanDerWaalsContact C-N 3.29Å; K702-I704 PolarHBondContact O-N 3.08Å; I704-S708 PolarHBondContact O-N 2.87Å; I704-I722 HydrophobicContact CD1-CD1 3.79Å; I704-I722 HydrophobicContact CG2-CD1 3.98Å
705	N	57.4	Low	55.7	Low	91 Å²	91	95.1 Å²	95.1	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-40	177.9	-71.3	-19.6	0	0	0	112	I701 K702 V707 S708	I701-N705 PolarHBondContact O-N 3.19Å; I701-N705 VanDerWaalsContact O-N 3.09Å; K702-N705 PolarHBondContact O-N 2.66Å; N705-V707 PolarHBondContact O-N 2.9Å; N705-S708 PolarHBondContact O-N 3.05Å; N705-S708 PolarHBondContact O-OG 3.02Å
706	D	54.4	Low	53.2	Low	104 Å²	104	97.9 Å²	97.9	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-36.2	-179.9	-68.5	-21.8	0	0	0	112.8	K702 S708 T709 T710	K702-D706 PolarHBondContact O-N 2.85Å; D706-S708 VanDerWaalsContact C-N 3.35Å; D706-T709 PolarHBondContact O-N 2.65Å; D706-T709 PolarHBondContact O-OG1 2.81Å; D706-T710 PolarHBondContact O-OG1 3.02Å
707	V	50.1	Low	51	Low	79 Å²	79	97.7 Å²	97.7	48%	0.479	55%	0.552	S	S	.	*	H	α-helix	trans	-68.7	-34.3	177.4	174.8	0	0	0	0	111.6	T703 N705 T709 T710	T703-V707 VanDerWaalsContact O-CG2 3.25Å; T703-V707 WeakPolarHBondContact O-CG2 3.26Å; T703-V707 PolarHBondContact O-N 3.06Å; N705-V707 PolarHBondContact O-N 2.9Å; V707-T709 VanDerWaalsContact C-N 3.25Å; V707-T709 PolarHBondContact O-N 2.93Å; V707-T710 PolarHBondContact O-N 3.34Å
708	S	46.4	Very low	49.4	Very low	90 Å²	90	101 Å²	101	63%	0.629	57%	0.569	S	S	*	*	H	α-helix	trans	-67	-24.4	178.8	75.8	0	0	0	0	113.7	I704 N705 D706	I704-S708 PolarHBondContact O-N 2.87Å; N705-S708 PolarHBondContact O-N 3.05Å; N705-S708 PolarHBondContact O-OG 3.02Å; D706-S708 VanDerWaalsContact C-N 3.35Å
709	T	44.1	Very low	47.6	Very low	114 Å²	114	111.9 Å²	111.9	70%	0.699	61%	0.609	S	S	*	*	H	α-helix	trans	-89.7	-14.3	-178.5	49.2	0	0	0	0	115.1	D706 V707	D706-T709 PolarHBondContact O-N 2.65Å; D706-T709 PolarHBondContact O-OG1 2.81Å; V707-T709 VanDerWaalsContact C-N 3.25Å; V707-T709 PolarHBondContact O-N 2.93Å
710	T	39.6	Very low	46.1	Very low	109 Å²	109	111.6 Å²	111.6	67%	0.669	61%	0.606	S	S	*	*	H	α-helix	trans	-116.1	-11.7	-165.7	45.7	0	0	0	0	115.8	D706 V707	D706-T710 PolarHBondContact O-OG1 3.02Å; V707-T710 PolarHBondContact O-N 3.34Å
711	T	33.7	Very low	44.9	Very low	86 Å²	86	117.6 Å²	117.6	53%	0.528	63%	0.629	S	S	.	*			trans	-140.1	108.5	-179.8	50.5	0	0	0	0	113.1	S713	T711-S713 PolarHBondContact O-N 3.27Å
712	G	31.8	Very low	44.1	Very low	95 Å²	95	118.9 Å²	118.9	98%	0.979	64%	0.636	S	S	*	*			trans	-72.8	29.8	175.5	0	0	0	0	0	115
713	S	28.2	Very low	43.5	Very low	81 Å²	81	117.2 Å²	117.2	57%	0.566	63%	0.633	S	S	*	*			trans	-119.8	108.2	179.7	52.7	0	0	0	0	111.2	T711 Y715	T711-S713 PolarHBondContact O-N 3.27Å; S713-Y715 PolarHBondContact O-N 2.93Å
714	H	29.4	Very low	43.4	Very low	185 Å²	185	120.8 Å²	120.8	86%	0.856	64%	0.644	S	S	*	*			trans	-63.6	82.5	173.5	-77.1	-66.8	0	0	0	112.7
715	Y	27	Very low	43.7	Very low	222 Å²	222	118.8 Å²	118.8	87%	0.871	64%	0.637	S	S	*	*			trans	-143.2	84.3	159.1	-72.4	-74.6	0	0	0	109.7	S713	S713-Y715 PolarHBondContact O-N 2.93Å
716	D	32.8	Very low	44	Very low	118 Å²	118	116.2 Å²	116.2	63%	0.631	63%	0.625	S	S	*	*			trans	-107.3	121.5	-178.8	-145.8	-17.7	0	0	0	111.2	N718	D716-N718 PolarHBondContact O-N 3.38Å
717	V	34.7	Very low	44.6	Very low	141 Å²	141	113.8 Å²	113.8	86%	0.855	61%	0.613	S	S	*	*	S	Bend	trans	-73.7	-5.2	-177.4	176.8	0	0	0	0	111.4
718	N	40.9	Very low	45.7	Very low	87 Å²	87	116.7 Å²	116.7	47%	0.465	62%	0.62	S	S	.	*	S	Bend	trans	-125.1	91.3	169.6	-70.1	-46.9	0	0	0	110.1	R83 D716 L720	R83-N718 PolarHBondContact NH2-OD1 3.48Å; D716-N718 PolarHBondContact O-N 3.38Å; N718-L720 PolarHBondContact O-N 2.92Å
719	R	37.6	Very low	46.8	Very low	247 Å²	247	116.5 Å²	116.5	93%	0.932	61%	0.608	S	S	*	*			trans	-67.5	62.7	173.8	-72	-175.8	175.1	-168.8	-2.9	113.1
720	L	47.2	Very low	48.2	Very low	95 Å²	95	111.5 Å²	111.5	50%	0.497	58%	0.576	S	S	.	*			trans	-121.3	96.8	164.4	-79.4	162.2	0	0	0	106.9	N718 I722	N718-L720 PolarHBondContact O-N 2.92Å; L720-I722 VanDerWaalsContact C-N 3.34Å; L720-I722 PolarHBondContact O-N 3.09Å
721	K	45.6	Very low	49.9	Very low	209 Å²	209	109.9 Å²	109.9	91%	0.909	56%	0.563	S	S	*	*			trans	-59.2	106.8	155.9	-100.7	-176.5	173.4	-178.4	0	105.3	D723	K721-D723 PolarHBondContact O-N 3.3Å
722	I	53	Low	52.1	Low	55 Å²	55	113 Å²	113	28%	0.282	57%	0.569	S	S	.	*			trans	-67	106.6	170.6	-59.6	-177.5	0	0	0	105.5	I704 L720 T726 V727	I704-I722 HydrophobicContact CD1-CD1 3.79Å; I704-I722 HydrophobicContact CG2-CD1 3.98Å; L720-I722 VanDerWaalsContact C-N 3.34Å; L720-I722 PolarHBondContact O-N 3.09Å; I722-T726 VanDerWaalsContact CG2-OG1 3.24Å; I722-T726 WeakPolarHBondContact CG2-OG1 3.32Å; I722-V727 HydrophobicContact CG2-CG2 3.56Å
723	D	57.4	Low	54.3	Low	95 Å²	95	108.5 Å²	108.5	51%	0.508	52%	0.523	S	S	.	.			trans	-64.6	139.1	175.8	-179	6.4	0	0	0	109	K721 S725 T726 V727	K721-D723 PolarHBondContact O-N 3.3Å; D723-S725 PolarHBondContact O-N 3.27Å; D723-S725 VanDerWaalsContact O-N 3.07Å; D723-S725 PolarHBondContact OD1-N 3.12Å; D723-S725 WeakPolarHBondContact OD2-CB 3.29Å; D723-S725 PolarHBondContact OD2-OG 3.21Å; D723-T726 HydrophobicContact CB-CG2 4.31Å; D723-T726 WeakPolarHBondContact O-CB 2.82Å; D723-T726 PolarHBondContact O-N 3.44Å; D723-T726 PolarHBondContact O-OG1 2.91Å; D723-V727 PolarHBondContact O-N 3.25Å
724	Q	61.2	Low	56.9	Low	154 Å²	154	104.8 Å²	104.8	72%	0.72	50%	0.497	S	S	*	.	H	α-helix	trans	-55.1	-27.6	175.6	-70.8	-178	-8.7	0	0	111.8	T726 V727 K728	Q724-T726 VanDerWaalsContact C-N 3.3Å; Q724-T726 PolarHBondContact O-N 3.49Å; Q724-V727 PolarHBondContact O-N 3.35Å; Q724-K728 WeakPolarHBondContact O-CG 3.48Å; Q724-K728 PolarHBondContact O-N 2.68Å; Q724-K728 VanDerWaalsContact O-N 3.13Å
725	S	65.8	Low	59.4	Low	38 Å²	38	100.8 Å²	100.8	27%	0.266	48%	0.477	S	S	.	.	H	α-helix	trans	-60.8	-37.9	173	76.1	0	0	0	0	112.6	D723 K729	D723-S725 PolarHBondContact O-N 3.27Å; D723-S725 VanDerWaalsContact O-N 3.07Å; D723-S725 PolarHBondContact OD1-N 3.12Å; D723-S725 WeakPolarHBondContact OD2-CB 3.29Å; D723-S725 PolarHBondContact OD2-OG 3.21Å; S725-K729 WeakPolarHBondContact O-CG 3.27Å; S725-K729 PolarHBondContact O-N 3.34Å; S725-K729 VanDerWaalsContact O-N 3.08Å
726	T	63.6	Low	62.1	Low	37 Å²	37	92.9 Å²	92.9	23%	0.227	45%	0.447	C	S	.	.	H	α-helix	trans	-74	-36.9	-179.2	62.2	0	0	0	0	112.3	I722 D723 Q724 K729 Y730	I722-T726 VanDerWaalsContact CG2-OG1 3.24Å; I722-T726 WeakPolarHBondContact CG2-OG1 3.32Å; D723-T726 HydrophobicContact CB-CG2 4.31Å; D723-T726 WeakPolarHBondContact O-CB 2.82Å; D723-T726 PolarHBondContact O-N 3.44Å; D723-T726 PolarHBondContact O-OG1 2.91Å; Q724-T726 VanDerWaalsContact C-N 3.3Å; Q724-T726 PolarHBondContact O-N 3.49Å; T726-K729 PolarHBondContact O-N 2.9Å; T726-Y730 PolarHBondContact O-N 3.43Å
727	V	67.2	Low	64.5	Low	52 Å²	52	87.2 Å²	87.2	32%	0.315	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-45.9	172.9	-176.6	0	0	0	0	110.4	I722 D723 Q724 K729 Y730 D731	I722-V727 HydrophobicContact CG2-CG2 3.56Å; D723-V727 PolarHBondContact O-N 3.25Å; Q724-V727 PolarHBondContact O-N 3.35Å; V727-K729 VanDerWaalsContact C-N 3.31Å; V727-K729 PolarHBondContact O-N 2.88Å; V727-Y730 WeakPolarHBondContact O-CB 3.07Å; V727-Y730 PolarHBondContact O-N 3.36Å; V727-Y730 VanDerWaalsContact O-N 3.14Å; V727-D731 PolarHBondContact O-N 2.84Å
728	K	71.8	Confident	66.9	Low	140 Å²	140	80.5 Å²	80.5	61%	0.609	38%	0.376	S	S	*	.	H	α-helix	trans	-61.1	-37.5	175.8	-72.7	179.4	-179.7	178.4	0	113	Q724 K732	Q724-K728 WeakPolarHBondContact O-CG 3.48Å; Q724-K728 PolarHBondContact O-N 2.68Å; Q724-K728 VanDerWaalsContact O-N 3.13Å; K728-K732 WeakPolarHBondContact O-CG 3.14Å; K728-K732 PolarHBondContact O-N 3.44Å
729	K	70.6	Confident	68.9	Low	86 Å²	86	78.2 Å²	78.2	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-40.8	175.5	-75.2	174.5	-176.1	173.2	0	110.8	E246 P662 S725 T726 V727 L733	E246-K729 IonicContact OE1-NZ 2.89Å; E246-K729 PolarHBondContact OE1-NZ 2.94Å; P662-K729 HydrophobicContact CG-CB 4.44Å; S725-K729 WeakPolarHBondContact O-CG 3.27Å; S725-K729 PolarHBondContact O-N 3.34Å; S725-K729 VanDerWaalsContact O-N 3.08Å; T726-K729 PolarHBondContact O-N 2.9Å; V727-K729 VanDerWaalsContact C-N 3.31Å; V727-K729 PolarHBondContact O-N 2.88Å; K729-L733 PolarHBondContact O-N 2.77Å; K729-L733 VanDerWaalsContact O-N 3.13Å
730	Y	73.5	Confident	71.1	Confident	9 Å²	9	67.3 Å²	67.3	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-47.2	174.3	178.6	-97.8	0	0	0	112.1	F654 Y657 S697 D698 I701 T726 V727 K732 L733 V734	F654-Y730 HydrophobicContact CE2-CD2 4.1Å; F654-Y730 AromaticContact CE2-CE2 3.75Å; F654-Y730 HydrophobicContact CE2-CE2 3.75Å; F654-Y730 HydrophobicContact CZ-CD2 4.32Å; F654-Y730 HydrophobicContact CZ-CE2 4.33Å; Y657-Y730 HydrophobicContact CE1-CD2 4.12Å; Y657-Y730 HydrophobicContact CE1-CE2 4.22Å; S697-Y730 WeakPolarHBondContact CB-OH 3.38Å; D698-Y730 WeakPolarHBondContact OD1-CE1 3.36Å; D698-Y730 PolarHBondContact OD1-OH 3.43Å; I701-Y730 HydrophobicContact CD1-CD1 3.62Å; I701-Y730 HydrophobicContact CD1-CE1 3.27Å; I701-Y730 HydrophobicContact CD1-CE2 4.4Å; I701-Y730 HydrophobicContact CD1-CG 4.31Å; T726-Y730 PolarHBondContact O-N 3.43Å; V727-Y730 WeakPolarHBondContact O-CB 3.07Å; V727-Y730 PolarHBondContact O-N 3.36Å; V727-Y730 VanDerWaalsContact O-N 3.14Å; Y730-K732 VanDerWaalsContact C-N 3.27Å; Y730-K732 PolarHBondContact O-N 2.88Å; Y730-L733 CarbonylContact O-C 3.5Å; Y730-L733 WeakPolarHBondContact O-CA 3.38Å; Y730-L733 WeakPolarHBondContact O-CB 3.14Å; Y730-L733 PolarHBondContact O-N 2.95Å; Y730-V734 HydrophobicContact CD1-CG2 3.82Å; Y730-V734 HydrophobicContact CD2-CG2 4.41Å; Y730-V734 HydrophobicContact CE1-CG2 3.38Å; Y730-V734 HydrophobicContact CE2-CG2 4.02Å; Y730-V734 HydrophobicContact CG-CG2 4.33Å; Y730-V734 VanDerWaalsContact CZ-CG2 3.49Å; Y730-V734 WeakPolarHBondContact O-CG2 3.12Å; Y730-V734 PolarHBondContact O-N 3Å
731	D	75.4	Confident	73	Confident	75 Å²	75	62.8 Å²	62.8	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-39.7	179	-68.8	-17.6	0	0	0	112.1	V727 V734 K735	V727-D731 PolarHBondContact O-N 2.84Å; D731-V734 PolarHBondContact O-N 2.91Å; D731-K735 VanDerWaalsContact O-CG 3.3Å; D731-K735 WeakPolarHBondContact O-CG 2.97Å; D731-K735 PolarHBondContact O-N 2.92Å; D731-K735 VanDerWaalsContact O-N 3.14Å
732	K	79.6	Confident	74.9	Confident	151 Å²	151	52.9 Å²	52.9	66%	0.657	26%	0.256	S	S	*	.	H	α-helix	trans	-62	-45	173.9	-75.1	-179	179.6	-173	0	111.8	K728 Y730 K735 F736	K728-K732 WeakPolarHBondContact O-CG 3.14Å; K728-K732 PolarHBondContact O-N 3.44Å; Y730-K732 VanDerWaalsContact C-N 3.27Å; Y730-K732 PolarHBondContact O-N 2.88Å; K732-K735 PolarHBondContact O-N 2.93Å; K732-F736 PolarHBondContact O-N 3.04Å; K732-F736 VanDerWaalsContact O-N 3.08Å
733	L	78.6	Confident	76.5	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-44	177.6	-179.5	64.8	0	0	0	111.5	Y657 P662 I665 E666 K729 Y730 K735 F736 M737	Y657-L733 HydrophobicContact CE1-CD2 3.7Å; Y657-L733 WeakPolarHBondContact OH-CD2 3.17Å; P662-L733 HydrophobicContact CB-CB 4.43Å; P662-L733 HydrophobicContact CB-CD1 4.39Å; P662-L733 HydrophobicContact CB-CD2 4.05Å; I665-L733 HydrophobicContact CB-CD1 4.31Å; I665-L733 HydrophobicContact CD1-CD2 4.28Å; I665-L733 HydrophobicContact CG2-CD1 4.19Å; E666-L733 HydrophobicContact CG-CD1 3.41Å; E666-L733 VanDerWaalsContact CG-CD1 3.41Å; K729-L733 PolarHBondContact O-N 2.77Å; K729-L733 VanDerWaalsContact O-N 3.13Å; Y730-L733 CarbonylContact O-C 3.5Å; Y730-L733 WeakPolarHBondContact O-CA 3.38Å; Y730-L733 WeakPolarHBondContact O-CB 3.14Å; Y730-L733 PolarHBondContact O-N 2.95Å; L733-K735 VanDerWaalsContact C-N 3.33Å; L733-K735 PolarHBondContact O-N 3.2Å; L733-F736 WeakPolarHBondContact O-CB 3.37Å; L733-F736 PolarHBondContact O-N 2.86Å; L733-M737 HydrophobicContact CD1-CG 4.05Å; L733-M737 HydrophobicContact CD1-SD 4.4Å; L733-M737 HydrophobicContact CG-CG 4.15Å; L733-M737 WeakPolarHBondContact O-CB 3.49Å; L733-M737 WeakPolarHBondContact O-CG 3.21Å; L733-M737 PolarHBondContact O-N 2.79Å
734	V	81.4	Confident	77.9	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-47	176.9	173.6	0	0	0	0	110.7	L694 Y730 D731 F736 M737 I738 Y784	L694-V734 HydrophobicContact CD2-CG2 4.24Å; Y730-V734 HydrophobicContact CD1-CG2 3.82Å; Y730-V734 HydrophobicContact CD2-CG2 4.41Å; Y730-V734 HydrophobicContact CE1-CG2 3.38Å; Y730-V734 HydrophobicContact CE2-CG2 4.02Å; Y730-V734 HydrophobicContact CG-CG2 4.33Å; Y730-V734 VanDerWaalsContact CZ-CG2 3.49Å; Y730-V734 WeakPolarHBondContact O-CG2 3.12Å; Y730-V734 PolarHBondContact O-N 3Å; D731-V734 PolarHBondContact O-N 2.91Å; V734-F736 VanDerWaalsContact C-N 3.35Å; V734-F736 PolarHBondContact O-N 3.14Å; V734-M737 PolarHBondContact O-N 3.3Å; V734-I738 HydrophobicContact CG1-CD1 3.93Å; V734-I738 HydrophobicContact CG1-CG1 4.43Å; V734-I738 WeakPolarHBondContact O-CG1 3.39Å; V734-I738 PolarHBondContact O-N 2.98Å; V734-Y784 HydrophobicContact CG1-CE1 4.21Å
735	K	82.4	Confident	79.1	Confident	101 Å²	101	39.5 Å²	39.5	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-58.9	-45.4	177.3	-67	178.5	-170.6	-162.7	0	112	D731 K732 L733 I739 M790	D731-K735 VanDerWaalsContact O-CG 3.3Å; D731-K735 WeakPolarHBondContact O-CG 2.97Å; D731-K735 PolarHBondContact O-N 2.92Å; D731-K735 VanDerWaalsContact O-N 3.14Å; K732-K735 PolarHBondContact O-N 2.93Å; L733-K735 VanDerWaalsContact C-N 3.33Å; L733-K735 PolarHBondContact O-N 3.2Å; K735-I739 PolarHBondContact O-N 3.42Å; K735-M790 HydrophobicContact CB-SD 4.19Å; K735-M790 HydrophobicContact CD-CE 3.51Å; K735-M790 HydrophobicContact CD-SD 3.89Å; K735-M790 HydrophobicContact CG-CE 3.81Å; K735-M790 HydrophobicContact CG-CG 4.09Å; K735-M790 HydrophobicContact CG-SD 3.67Å
736	F	84	Confident	80.1	Confident	56 Å²	56	38.4 Å²	38.4	25%	0.246	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-46.7	175.5	178.2	-88.1	0	0	0	111.9	E666 H670 K732 L733 V734 I738 I739 E740	E666-F736 VanDerWaalsContact CA-CE1 3.48Å; E666-F736 HydrophobicContact CB-CD1 3.91Å; E666-F736 HydrophobicContact CB-CE1 3.65Å; E666-F736 HydrophobicContact CB-CE2 4.43Å; E666-F736 HydrophobicContact CB-CG 4.41Å; E666-F736 HydrophobicContact CB-CZ 3.92Å; E666-F736 HydrophobicContact CG-CB 4.44Å; E666-F736 HydrophobicContact CG-CD1 3.63Å; E666-F736 HydrophobicContact CG-CD2 4.44Å; E666-F736 HydrophobicContact CG-CE1 3.94Å; E666-F736 HydrophobicContact CG-CG 3.91Å; E666-F736 HydrophobicContact CG-CZ 4.45Å; E666-F736 WeakPolarHBondContact O-CE1 3.39Å; H670-F736 HydrophobicContact CB-CZ 4.21Å; K732-F736 PolarHBondContact O-N 3.04Å; K732-F736 VanDerWaalsContact O-N 3.08Å; L733-F736 WeakPolarHBondContact O-CB 3.37Å; L733-F736 PolarHBondContact O-N 2.86Å; V734-F736 VanDerWaalsContact C-N 3.35Å; V734-F736 PolarHBondContact O-N 3.14Å; F736-I738 PolarHBondContact O-N 3.18Å; F736-I739 PolarHBondContact O-N 2.88Å; F736-E740 HydrophobicContact CD2-CG 4.44Å; F736-E740 HydrophobicContact CE1-CB 4.23Å; F736-E740 HydrophobicContact CE1-CG 3.98Å; F736-E740 HydrophobicContact CE2-CG 3.92Å; F736-E740 HydrophobicContact CZ-CB 4.38Å; F736-E740 HydrophobicContact CZ-CG 3.67Å; F736-E740 PolarHBondContact O-N 3.26Å
737	M	84	Confident	81.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-37.3	-177.7	-67.3	-66.3	-68.8	0	0	111.7	I665 T669 I690 L694 L733 V734 I739 S741	I665-M737 HydrophobicContact CG2-CE 4.49Å; I665-M737 HydrophobicContact CG2-SD 4.12Å; T669-M737 HydrophobicContact CG2-CE 4.03Å; T669-M737 HydrophobicContact CG2-SD 3.78Å; T669-M737 WeakPolarHBondContact OG1-CE 3.1Å; T669-M737 PolarHBondContact OG1-SD 3.27Å; I690-M737 HydrophobicContact CB-CE 4.36Å; I690-M737 HydrophobicContact CD1-CE 3.98Å; I690-M737 HydrophobicContact CG1-CE 3.99Å; I690-M737 HydrophobicContact CG2-CE 3.41Å; I690-M737 VanDerWaalsContact CG2-CE 3.41Å; L694-M737 HydrophobicContact CD1-CB 4.07Å; L733-M737 HydrophobicContact CD1-CG 4.05Å; L733-M737 HydrophobicContact CD1-SD 4.4Å; L733-M737 HydrophobicContact CG-CG 4.15Å; L733-M737 WeakPolarHBondContact O-CB 3.49Å; L733-M737 WeakPolarHBondContact O-CG 3.21Å; L733-M737 PolarHBondContact O-N 2.79Å; V734-M737 PolarHBondContact O-N 3.3Å; M737-I739 PolarHBondContact O-N 2.84Å; M737-S741 WeakPolarHBondContact O-CA 3.44Å; M737-S741 WeakPolarHBondContact O-CB 3.36Å; M737-S741 PolarHBondContact O-N 2.92Å; M737-S741 PolarHBondContact O-OG 3.49Å
738	I	84.5	Confident	82	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-48.6	174.5	-69.9	166.1	0	0	0	110.5	V734 F736 T742 W781 Y784 A785 H788 M790 W795	V734-I738 HydrophobicContact CG1-CD1 3.93Å; V734-I738 HydrophobicContact CG1-CG1 4.43Å; V734-I738 WeakPolarHBondContact O-CG1 3.39Å; V734-I738 PolarHBondContact O-N 2.98Å; F736-I738 PolarHBondContact O-N 3.18Å; I738-T742 VanDerWaalsContact O-CB 3.32Å; I738-T742 WeakPolarHBondContact O-CB 3.28Å; I738-T742 PolarHBondContact O-N 2.97Å; I738-T742 PolarHBondContact O-OG1 3.35Å; I738-W781 HydrophobicContact CB-CZ3 4.44Å; I738-W781 HydrophobicContact CG1-CZ3 4.11Å; I738-Y784 HydrophobicContact CD1-CD1 4.19Å; I738-Y784 HydrophobicContact CD1-CE1 4.06Å; I738-Y784 HydrophobicContact CG1-CD1 4.04Å; I738-Y784 HydrophobicContact CG1-CE1 4Å; I738-A785 HydrophobicContact CG2-CB 3.88Å; I738-H788 HydrophobicContact CD1-CB 4.08Å; I738-M790 HydrophobicContact CD1-CB 3.94Å; I738-M790 HydrophobicContact CD1-CG 4.32Å; I738-M790 HydrophobicContact CG2-CB 4.32Å; I738-W795 HydrophobicContact CG2-CZ2 4.47Å
739	I	83.2	Confident	82.6	Confident	38 Å²	38	29.3 Å²	29.3	20%	0.195	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-52.9	-175.7	-64.4	170.1	0	0	0	111	K735 F736 M737 K743 E794	K735-I739 PolarHBondContact O-N 3.42Å; F736-I739 PolarHBondContact O-N 2.88Å; M737-I739 PolarHBondContact O-N 2.84Å; I739-K743 WeakPolarHBondContact O-CG 3.32Å; I739-E794 VanDerWaalsContact CG2-OE2 3.26Å; I739-E794 WeakPolarHBondContact CG2-OE2 3.37Å
740	E	83.8	Confident	83	Confident	19 Å²	19	29.3 Å²	29.3	9%	0.089	14%	0.139	C	C	.	.	H	α-helix	trans	-79.2	-35.3	-172.3	-67.5	-70.9	104.4	0	0	112.8	T669 H670 Y673 F736 K743	T669-E740 HydrophobicContact CG2-CB 4.38Å; H670-E740 IonicContact CE1-OE2 2.94Å; H670-E740 IonicContact ND1-OE2 2.88Å; H670-E740 PolarHBondContact ND1-OE2 2.85Å; Y673-E740 WeakPolarHBondContact CD1-OE2 3.19Å; F736-E740 HydrophobicContact CD2-CG 4.44Å; F736-E740 HydrophobicContact CE1-CB 4.23Å; F736-E740 HydrophobicContact CE1-CG 3.98Å; F736-E740 HydrophobicContact CE2-CG 3.92Å; F736-E740 HydrophobicContact CZ-CB 4.38Å; F736-E740 HydrophobicContact CZ-CG 3.67Å; F736-E740 PolarHBondContact O-N 3.26Å; E740-K743 WeakPolarHBondContact O-CB 3.16Å; E740-K743 PolarHBondContact O-N 3.24Å; E740-K743 IonicContact OE1-NZ 2.81Å; E740-K743 PolarHBondContact OE1-NZ 3.44Å
741	S	86.2	Confident	83.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-78.2	-24.7	-176.7	-44.1	0	0	0	0	112.6	S687 M737 K743 L744	S687-S741 PolarHBondContact OG-O 3.26Å; M737-S741 WeakPolarHBondContact O-CA 3.44Å; M737-S741 WeakPolarHBondContact O-CB 3.36Å; M737-S741 PolarHBondContact O-N 2.92Å; M737-S741 PolarHBondContact O-OG 3.49Å; S741-K743 VanDerWaalsContact C-N 3.31Å; S741-L744 VanDerWaalsContact O-CB 3.3Å; S741-L744 WeakPolarHBondContact O-CB 3.4Å; S741-L744 PolarHBondContact O-N 3.45Å
742	T	86.5	Confident	83.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-34.6	170.7	-52.5	0	0	0	0	110.9	I738 L744 C745 L778 W781 W795	I738-T742 VanDerWaalsContact O-CB 3.32Å; I738-T742 WeakPolarHBondContact O-CB 3.28Å; I738-T742 PolarHBondContact O-N 2.97Å; I738-T742 PolarHBondContact O-OG1 3.35Å; T742-L744 PolarHBondContact O-N 3.28Å; T742-C745 WeakPolarHBondContact O-CB 3.17Å; T742-C745 PolarHBondContact O-N 3.22Å; T742-C745 VanDerWaalsContact O-N 3.08Å; T742-L778 HydrophobicContact CG2-CD2 4.24Å; T742-W781 HydrophobicContact CG2-CB 4.06Å; T742-W781 HydrophobicContact CG2-CG 4.06Å; T742-W781 VanDerWaalsContact OG1-CD2 3.31Å; T742-W795 HydrophobicContact CG2-CD2 3.87Å; T742-W795 HydrophobicContact CG2-CE3 3.33Å; T742-W795 HydrophobicContact CG2-CG 4.49Å; T742-W795 HydrophobicContact CG2-CH2 4.44Å; T742-W795 HydrophobicContact CG2-CZ3 3.66Å
743	K	86.4	Confident	82.8	Confident	24 Å²	24	23.8 Å²	23.8	10%	0.104	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-20.8	176.4	-63.5	168.9	-170.8	170.9	0	112.9	Y673 I739 E740 S741 C745 F746 P747 E794 W795	Y673-K743 HydrophobicContact CD2-CB 3.67Å; Y673-K743 HydrophobicContact CE1-CD 4.46Å; Y673-K743 HydrophobicContact CE2-CB 3.41Å; Y673-K743 VanDerWaalsContact CE2-CB 3.41Å; Y673-K743 HydrophobicContact CE2-CD 4.02Å; Y673-K743 HydrophobicContact CE2-CG 4.28Å; I739-K743 WeakPolarHBondContact O-CG 3.32Å; E740-K743 WeakPolarHBondContact O-CB 3.16Å; E740-K743 PolarHBondContact O-N 3.24Å; E740-K743 IonicContact OE1-NZ 2.81Å; E740-K743 PolarHBondContact OE1-NZ 3.44Å; S741-K743 VanDerWaalsContact C-N 3.31Å; K743-C745 PolarHBondContact O-N 2.7Å; K743-F746 HydrophobicContact CB-CD2 4.07Å; K743-F746 HydrophobicContact CB-CE2 4.08Å; K743-F746 HydrophobicContact CG-CD2 4.25Å; K743-F746 HydrophobicContact CG-CE2 3.82Å; K743-F746 PolarHBondContact O-N 2.83Å; K743-P747 WeakPolarHBondContact O-CD 3.28Å; K743-E794 IonicContact NZ-OE2 3.67Å; K743-E794 PolarHBondContact NZ-OE2 3.39Å; K743-W795 HydrophobicContact CG-CB 4.37Å
744	L	86.3	Confident	82.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.2	172.4	-67.1	170	0	0	0	113.4	V672 Y673 A676 A683 M686 I690 S741 T742 F746 P747	V672-L744 HydrophobicContact CG1-CD2 3.95Å; Y673-L744 VanDerWaalsContact CA-CD2 3.48Å; A676-L744 HydrophobicContact CB-CD2 3.95Å; A683-L744 HydrophobicContact CB-CB 4.47Å; A683-L744 HydrophobicContact CB-CD2 4.35Å; M686-L744 HydrophobicContact CG-CD1 4.49Å; I690-L744 HydrophobicContact CD1-CD1 3.89Å; S741-L744 VanDerWaalsContact O-CB 3.3Å; S741-L744 WeakPolarHBondContact O-CB 3.4Å; S741-L744 PolarHBondContact O-N 3.45Å; T742-L744 PolarHBondContact O-N 3.28Å; L744-F746 VanDerWaalsContact C-N 3.29Å; L744-F746 PolarHBondContact O-N 3.02Å; L744-P747 WeakPolarHBondContact O-CD 3.27Å
745	C	86.1	Confident	81.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.9	177.4	-63.5	0	0	0	0	112.6	L684 S687 T742 K743 I748 L774 L778	L684-C745 HydrophobicContact CD1-CB 4.24Å; S687-C745 PolarHBondContact OG-SG 3.07Å; T742-C745 WeakPolarHBondContact O-CB 3.17Å; T742-C745 PolarHBondContact O-N 3.22Å; T742-C745 VanDerWaalsContact O-N 3.08Å; K743-C745 PolarHBondContact O-N 2.7Å; C745-I748 VanDerWaalsContact O-CG2 3.3Å; C745-I748 WeakPolarHBondContact O-CG2 3.4Å; C745-L774 HydrophobicContact CB-CD1 3.79Å; C745-L774 WeakPolarHBondContact O-CD1 3.15Å; C745-L778 HydrophobicContact CB-CD2 4Å; C745-L778 HydrophobicContact CB-CG 4.5Å
746	F	87.6	Confident	80.3	Confident	15 Å²	15	33.7 Å²	33.7	7%	0.066	17%	0.168	C	C	.	.	H	α-helix	trans	-74.3	-38.6	-168	-57.4	-23.5	0	0	0	115.3	K743 L744 I748 F749 L778 W795 K798 I802	K743-F746 HydrophobicContact CB-CD2 4.07Å; K743-F746 HydrophobicContact CB-CE2 4.08Å; K743-F746 HydrophobicContact CG-CD2 4.25Å; K743-F746 HydrophobicContact CG-CE2 3.82Å; K743-F746 PolarHBondContact O-N 2.83Å; L744-F746 VanDerWaalsContact C-N 3.29Å; L744-F746 PolarHBondContact O-N 3.02Å; F746-I748 PolarHBondContact O-N 3.42Å; F746-F749 WeakPolarHBondContact O-CB 3.39Å; F746-F749 PolarHBondContact O-N 2.92Å; F746-F749 VanDerWaalsContact O-N 3.13Å; F746-L778 HydrophobicContact CE1-CD2 4.32Å; F746-W795 HydrophobicContact CE2-CB 4.25Å; F746-W795 HydrophobicContact CZ-CB 4.01Å; F746-K798 HydrophobicContact CB-CD 4.39Å; F746-K798 HydrophobicContact CD1-CG 4.36Å; F746-K798 HydrophobicContact CD2-CD 3.7Å; F746-K798 HydrophobicContact CD2-CG 4.25Å; F746-K798 HydrophobicContact CE1-CB 4.48Å; F746-K798 HydrophobicContact CE1-CG 4.38Å; F746-K798 HydrophobicContact CE2-CB 4.14Å; F746-K798 HydrophobicContact CE2-CD 4.01Å; F746-K798 HydrophobicContact CE2-CG 4.24Å; F746-K798 HydrophobicContact CG-CD 3.97Å; F746-K798 HydrophobicContact CG-CG 4.31Å; F746-K798 HydrophobicContact CZ-CB 4.06Å; F746-K798 HydrophobicContact CZ-CG 4.31Å; F746-I802 HydrophobicContact CD1-CD1 3.47Å; F746-I802 VanDerWaalsContact CD1-CD1 3.47Å; F746-I802 HydrophobicContact CE1-CD1 4.01Å; F746-I802 HydrophobicContact CG-CD1 4.29Å
747	P	86.3	Confident	79.1	Confident	18 Å²	18	37.2 Å²	37.2	12%	0.117	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-27.9	-178.3	-27.8	37.4	0	0	0	114.5	A676 T677 P680 K743 L744 F749 D750 Q751	A676-P747 HydrophobicContact CB-CG 3.79Å; T677-P747 HydrophobicContact CG2-CB 4.25Å; T677-P747 HydrophobicContact CG2-CG 4.34Å; P680-P747 HydrophobicContact CB-CB 4.05Å; P680-P747 HydrophobicContact CG-CB 4.15Å; K743-P747 WeakPolarHBondContact O-CD 3.28Å; L744-P747 WeakPolarHBondContact O-CD 3.27Å; P747-F749 VanDerWaalsContact C-N 3.27Å; P747-F749 PolarHBondContact O-N 2.91Å; P747-D750 PolarHBondContact O-N 3Å; P747-Q751 PolarHBondContact O-N 2.85Å
748	I	85	Confident	78	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-28.4	-179.2	-155.6	177	0	0	0	111.3	P680 K681 L684 C745 F746 D750 Q751 L752 W770 L774	P680-I748 HydrophobicContact CB-CB 3.91Å; P680-I748 HydrophobicContact CB-CG1 4.13Å; K681-I748 HydrophobicContact CG-CD1 4.34Å; L684-I748 HydrophobicContact CB-CD1 4.19Å; L684-I748 HydrophobicContact CD2-CD1 3.7Å; L684-I748 HydrophobicContact CD2-CG2 4.34Å; C745-I748 VanDerWaalsContact O-CG2 3.3Å; C745-I748 WeakPolarHBondContact O-CG2 3.4Å; F746-I748 PolarHBondContact O-N 3.42Å; I748-D750 VanDerWaalsContact C-N 3.35Å; I748-D750 PolarHBondContact O-N 2.71Å; I748-Q751 PolarHBondContact O-N 2.7Å; I748-L752 HydrophobicContact CG1-CD1 4.22Å; I748-L752 HydrophobicContact CG1-CG 4.27Å; I748-L752 HydrophobicContact CG2-CD1 4.29Å; I748-L752 WeakPolarHBondContact O-CB 3.48Å; I748-L752 VanDerWaalsContact O-CG 3.23Å; I748-L752 WeakPolarHBondContact O-CG 3.4Å; I748-L752 PolarHBondContact O-N 2.76Å; I748-W770 HydrophobicContact CD1-CB 4.16Å; I748-W770 HydrophobicContact CD1-CD2 4.09Å; I748-W770 HydrophobicContact CD1-CE3 3.61Å; I748-W770 HydrophobicContact CD1-CG 4.32Å; I748-W770 HydrophobicContact CD1-CZ3 4.34Å; I748-L774 HydrophobicContact CG2-CB 4.45Å; I748-L774 HydrophobicContact CG2-CD1 3.8Å; I748-L774 HydrophobicContact CG2-CD2 3.89Å; I748-L774 HydrophobicContact CG2-CG 4.26Å
749	F	83.5	Confident	76.6	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-42.9	177.2	177.1	-105.2	0	0	0	111.3	F746 P747 Q751 L752 S753 L774 Y801 I802 K805 E806	F746-F749 WeakPolarHBondContact O-CB 3.39Å; F746-F749 PolarHBondContact O-N 2.92Å; F746-F749 VanDerWaalsContact O-N 3.13Å; P747-F749 VanDerWaalsContact C-N 3.27Å; P747-F749 PolarHBondContact O-N 2.91Å; F749-Q751 VanDerWaalsContact C-N 3.29Å; F749-Q751 PolarHBondContact O-N 3.48Å; F749-L752 PolarHBondContact O-N 3Å; F749-S753 WeakPolarHBondContact O-CB 3.27Å; F749-S753 PolarHBondContact O-N 2.86Å; F749-L774 HydrophobicContact CB-CD2 4.46Å; F749-Y801 HydrophobicContact CE1-CE1 4.24Å; F749-Y801 HydrophobicContact CZ-CE1 4.28Å; F749-I802 HydrophobicContact CB-CD1 4.09Å; F749-I802 HydrophobicContact CB-CG1 4.26Å; F749-I802 HydrophobicContact CD1-CD1 4.45Å; F749-I802 HydrophobicContact CD1-CG1 4.02Å; F749-I802 HydrophobicContact CD2-CB 4.38Å; F749-I802 HydrophobicContact CD2-CG1 3.97Å; F749-I802 HydrophobicContact CD2-CG2 3.85Å; F749-I802 HydrophobicContact CE1-CG1 4.37Å; F749-I802 HydrophobicContact CE2-CG1 4.34Å; F749-I802 HydrophobicContact CE2-CG2 4.38Å; F749-I802 HydrophobicContact CG-CD1 4.16Å; F749-I802 HydrophobicContact CG-CG1 3.8Å; F749-I802 HydrophobicContact CG-CG2 4.34Å; F749-K805 HydrophobicContact CE2-CB 4.23Å; F749-K805 HydrophobicContact CE2-CD 4.33Å; F749-K805 HydrophobicContact CZ-CB 4.35Å; F749-K805 HydrophobicContact CZ-CD 3.66Å; F749-E806 HydrophobicContact CD2-CG 4.07Å; F749-E806 HydrophobicContact CE2-CG 3.92Å
750	D	79.2	Confident	75.6	Confident	86 Å²	86	50.6 Å²	50.6	46%	0.46	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.7	-62.5	-28.7	0	0	0	110.8	P747 I748 S753	P747-D750 PolarHBondContact O-N 3Å; I748-D750 VanDerWaalsContact C-N 3.35Å; I748-D750 PolarHBondContact O-N 2.71Å; D750-S753 PolarHBondContact O-OG 3.41Å
751	Q	78.6	Confident	74.5	Confident	60 Å²	60	58.8 Å²	58.8	28%	0.28	30%	0.3	S	S	.	.	H	α-helix	trans	-69.3	-45.7	176.2	-176.1	175.4	-8	0	0	113	P680 P747 I748 F749 S753 V754 E755	P680-Q751 VanDerWaalsContact CG-OE1 3.3Å; P747-Q751 PolarHBondContact O-N 2.85Å; I748-Q751 PolarHBondContact O-N 2.7Å; F749-Q751 VanDerWaalsContact C-N 3.29Å; F749-Q751 PolarHBondContact O-N 3.48Å; Q751-S753 PolarHBondContact O-N 3.43Å; Q751-V754 PolarHBondContact O-N 2.85Å; Q751-V754 VanDerWaalsContact O-N 3.07Å; Q751-E755 PolarHBondContact NE2-OE1 3.39Å; Q751-E755 PolarHBondContact O-N 3.46Å
752	L	75.9	Confident	73.3	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-35.3	179.7	-72.7	170.3	0	0	0	111.4	I748 F749 V754 E755 Y756 Y767 W770 L774	I748-L752 HydrophobicContact CG1-CD1 4.22Å; I748-L752 HydrophobicContact CG1-CG 4.27Å; I748-L752 HydrophobicContact CG2-CD1 4.29Å; I748-L752 WeakPolarHBondContact O-CB 3.48Å; I748-L752 VanDerWaalsContact O-CG 3.23Å; I748-L752 WeakPolarHBondContact O-CG 3.4Å; I748-L752 PolarHBondContact O-N 2.76Å; F749-L752 PolarHBondContact O-N 3Å; L752-V754 VanDerWaalsContact C-N 3.25Å; L752-V754 PolarHBondContact O-N 2.88Å; L752-E755 PolarHBondContact O-N 3.38Å; L752-Y756 PolarHBondContact O-N 2.87Å; L752-Y756 VanDerWaalsContact O-N 3.08Å; L752-Y767 HydrophobicContact CB-CD2 4.28Å; L752-Y767 HydrophobicContact CB-CE2 4.03Å; L752-Y767 HydrophobicContact CD2-CD2 3.58Å; L752-Y767 HydrophobicContact CD2-CE2 4.08Å; L752-Y767 HydrophobicContact CD2-CG 4.46Å; L752-Y767 HydrophobicContact CG-CD2 4.49Å; L752-W770 HydrophobicContact CD2-CB 4.03Å; L752-L774 HydrophobicContact CD1-CD2 4.15Å
753	S	69.9	Low	72.3	Confident	56 Å²	56	66.1 Å²	66.1	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-29.9	175.8	78.9	0	0	0	0	113.4	F749 D750 Q751 N757	F749-S753 WeakPolarHBondContact O-CB 3.27Å; F749-S753 PolarHBondContact O-N 2.86Å; D750-S753 PolarHBondContact O-OG 3.41Å; Q751-S753 PolarHBondContact O-N 3.43Å; S753-N757 PolarHBondContact O-ND2 3.18Å
754	V	67.7	Low	71.5	Confident	103 Å²	103	73.8 Å²	73.8	62%	0.624	37%	0.372	S	S	*	.	H	α-helix	trans	-81.5	-41.5	176.6	178.4	0	0	0	0	111	Q751 L752 Y756 N757	Q751-V754 PolarHBondContact O-N 2.85Å; Q751-V754 VanDerWaalsContact O-N 3.07Å; L752-V754 VanDerWaalsContact C-N 3.25Å; L752-V754 PolarHBondContact O-N 2.88Å; V754-Y756 PolarHBondContact O-N 3.15Å; V754-N757 PolarHBondContact O-N 3.29Å
755	E	61.7	Low	71	Confident	47 Å²	47	80.8 Å²	80.8	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-68.6	-31	-177.7	-73.8	178.9	-173.7	0	0	113.2	Q751 L752 N757 S758	Q751-E755 PolarHBondContact NE2-OE1 3.39Å; Q751-E755 PolarHBondContact O-N 3.46Å; L752-E755 PolarHBondContact O-N 3.38Å; E755-N757 PolarHBondContact O-N 3.04Å; E755-N757 VanDerWaalsContact O-N 3.15Å; E755-S758 WeakPolarHBondContact O-CB 3.4Å; E755-S758 PolarHBondContact O-N 3.04Å; E755-S758 PolarHBondContact O-OG 2.48Å
756	Y	59.4	Low	70.6	Confident	163 Å²	163	85.5 Å²	85.5	64%	0.639	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.8	176.2	-173.7	-97.5	0	0	0	113.3	L752 V754 S758 Y767	L752-Y756 PolarHBondContact O-N 2.87Å; L752-Y756 VanDerWaalsContact O-N 3.08Å; V754-Y756 PolarHBondContact O-N 3.15Å; Y756-S758 VanDerWaalsContact C-N 3.28Å; Y756-S758 PolarHBondContact O-N 3.11Å; Y756-Y767 HydrophobicContact CD2-CE1 4.09Å; Y756-Y767 HydrophobicContact CD2-CE2 4.23Å; Y756-Y767 AromaticContact CD2-CZ 3.81Å
757	N	60	Low	70.2	Confident	130 Å²	130	85.9 Å²	85.9	70%	0.695	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.6	179.8	-65	-37.5	0	0	0	113.7	S753 V754 E755	S753-N757 PolarHBondContact O-ND2 3.18Å; V754-N757 PolarHBondContact O-N 3.29Å; E755-N757 PolarHBondContact O-N 3.04Å; E755-N757 VanDerWaalsContact O-N 3.15Å
758	S	59.2	Low	70	Confident	47 Å²	47	89 Å²	89	33%	0.329	44%	0.443	S	S	.	.			trans	-95.2	122.8	-179	73.6	0	0	0	0	112.3	E755 Y756 N760 N763	E755-S758 WeakPolarHBondContact O-CB 3.4Å; E755-S758 PolarHBondContact O-N 3.04Å; E755-S758 PolarHBondContact O-OG 2.48Å; Y756-S758 VanDerWaalsContact C-N 3.28Å; Y756-S758 PolarHBondContact O-N 3.11Å; S758-N760 PolarHBondContact O-N 3.06Å; S758-N763 PolarHBondContact OG-ND2 3.35Å
759	N	56.2	Low	70	Confident	171 Å²	171	92.6 Å²	92.6	91%	0.914	47%	0.465	S	S	*	.			trans	-71.1	15.4	-173.7	-82.3	-22.6	0	0	0	116.2
760	N	62.5	Low	70.1	Confident	100 Å²	100	93.2 Å²	93.2	54%	0.535	47%	0.467	S	S	.	.			trans	-89.1	121	-175.6	-77.7	-11.7	0	0	0	111.8	S758 T762 N763	S758-N760 PolarHBondContact O-N 3.06Å; N760-T762 VanDerWaalsContact C-N 3.29Å; N760-T762 PolarHBondContact O-N 3.38Å; N760-N763 HydrophobicContact CB-CB 4.28Å; N760-N763 WeakPolarHBondContact O-CB 3.28Å; N760-N763 PolarHBondContact O-N 3.12Å
761	K	60.8	Low	70.4	Confident	191 Å²	191	90.5 Å²	90.5	83%	0.83	45%	0.451	S	S	*	.	H	α-helix	trans	-55.1	-39.1	178.5	-82.7	-174.6	176.6	-179.2	0	113.7	N763 R764	K761-N763 VanDerWaalsContact C-N 3.28Å; K761-N763 PolarHBondContact O-N 3.44Å; K761-R764 WeakPolarHBondContact O-CB 3.43Å; K761-R764 PolarHBondContact O-N 2.8Å; K761-R764 VanDerWaalsContact O-N 3.12Å
762	T	60	Low	70.8	Confident	102 Å²	102	91.3 Å²	91.3	63%	0.626	46%	0.46	S	S	*	.	H	α-helix	trans	-63.9	-32.3	178.3	45.2	0	0	0	0	112.8	N760 R764	N760-T762 VanDerWaalsContact C-N 3.29Å; N760-T762 PolarHBondContact O-N 3.38Å; T762-R764 PolarHBondContact O-N 3.07Å
763	N	66.1	Low	71.4	Confident	52 Å²	52	93.9 Å²	93.9	28%	0.278	47%	0.471	S	S	.	.	H	α-helix	trans	-70.5	-22.1	177	-67.5	2	0	0	0	111.8	S758 N760 K761 Y767	S758-N763 PolarHBondContact OG-ND2 3.35Å; N760-N763 HydrophobicContact CB-CB 4.28Å; N760-N763 WeakPolarHBondContact O-CB 3.28Å; N760-N763 PolarHBondContact O-N 3.12Å; K761-N763 VanDerWaalsContact C-N 3.28Å; K761-N763 PolarHBondContact O-N 3.44Å; N763-Y767 WeakPolarHBondContact O-CB 3.32Å; N763-Y767 PolarHBondContact O-N 3.27Å
764	R	68.8	Low	72.3	Confident	185 Å²	185	91.2 Å²	91.2	70%	0.698	45%	0.453	S	S	*	.	H	α-helix	trans	-75.3	-38	-175.4	-164.5	174.4	-179.8	171.9	-0.1	113.1	K761 T762 L768	K761-R764 WeakPolarHBondContact O-CB 3.43Å; K761-R764 PolarHBondContact O-N 2.8Å; K761-R764 VanDerWaalsContact O-N 3.12Å; T762-R764 PolarHBondContact O-N 3.07Å; R764-L768 WeakPolarHBondContact O-CG 3.44Å; R764-L768 PolarHBondContact O-N 2.94Å
765	E	76.4	Confident	73.3	Confident	147 Å²	147	86.9 Å²	86.9	69%	0.687	43%	0.427	S	S	*	.	H	α-helix	trans	-69.4	-42.8	176.1	-70.8	179.5	-178.9	0	0	111.4	L768 T769	E765-L768 PolarHBondContact O-N 3.34Å; E765-T769 PolarHBondContact O-N 3.41Å; E765-T769 PolarHBondContact O-OG1 3.41Å
766	E	77.4	Confident	74.6	Confident	100 Å²	100	89 Å²	89	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-46.8	172.7	-73.8	-166.8	-163.3	0	0	111.3	K681 L768 T769 W770	K681-E766 IonicContact NZ-OE2 3.82Å; K681-E766 PolarHBondContact NZ-OE2 3.47Å; E766-L768 PolarHBondContact O-N 2.86Å; E766-T769 WeakPolarHBondContact O-CB 3.37Å; E766-T769 PolarHBondContact O-N 3.47Å; E766-T769 VanDerWaalsContact O-N 3.16Å; E766-W770 PolarHBondContact O-N 2.68Å
767	Y	80.1	Confident	76.1	Confident	22 Å²	22	81.3 Å²	81.3	9%	0.086	41%	0.409	C	S	.	.	H	α-helix	trans	-53.9	-50.6	176	167.8	-93.9	0	0	0	111.6	L752 Y756 N763 T769 W770 K771 E806	L752-Y767 HydrophobicContact CB-CD2 4.28Å; L752-Y767 HydrophobicContact CB-CE2 4.03Å; L752-Y767 HydrophobicContact CD2-CD2 3.58Å; L752-Y767 HydrophobicContact CD2-CE2 4.08Å; L752-Y767 HydrophobicContact CD2-CG 4.46Å; L752-Y767 HydrophobicContact CG-CD2 4.49Å; Y756-Y767 HydrophobicContact CD2-CE1 4.09Å; Y756-Y767 HydrophobicContact CD2-CE2 4.23Å; Y756-Y767 AromaticContact CD2-CZ 3.81Å; N763-Y767 WeakPolarHBondContact O-CB 3.32Å; N763-Y767 PolarHBondContact O-N 3.27Å; Y767-T769 VanDerWaalsContact C-N 3.31Å; Y767-T769 PolarHBondContact O-N 3.38Å; Y767-W770 PolarHBondContact O-N 3.27Å; Y767-K771 HydrophobicContact CE1-CD 3.91Å; Y767-K771 WeakPolarHBondContact O-CB 3.45Å; Y767-K771 PolarHBondContact O-N 2.95Å; Y767-E806 PolarHBondContact OH-OE2 3.31Å
768	L	81.6	Confident	77.5	Confident	85 Å²	85	75.1 Å²	75.1	45%	0.445	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-41	178.9	-74.3	170.6	0	0	0	111.8	R764 E765 E766 K771 T772	R764-L768 WeakPolarHBondContact O-CG 3.44Å; R764-L768 PolarHBondContact O-N 2.94Å; E765-L768 PolarHBondContact O-N 3.34Å; E766-L768 PolarHBondContact O-N 2.86Å; L768-K771 PolarHBondContact O-N 3.08Å; L768-T772 WeakPolarHBondContact O-CB 3.41Å; L768-T772 PolarHBondContact O-N 3.09Å; L768-T772 PolarHBondContact O-OG1 3.29Å
769	T	85.5	Confident	78.9	Confident	77 Å²	77	75.6 Å²	75.6	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-47.5	178.6	-55.2	0	0	0	0	111.6	E765 E766 Y767 K773	E765-T769 PolarHBondContact O-N 3.41Å; E765-T769 PolarHBondContact O-OG1 3.41Å; E766-T769 WeakPolarHBondContact O-CB 3.37Å; E766-T769 PolarHBondContact O-N 3.47Å; E766-T769 VanDerWaalsContact O-N 3.16Å; Y767-T769 VanDerWaalsContact C-N 3.31Å; Y767-T769 PolarHBondContact O-N 3.38Å; T769-K773 WeakPolarHBondContact O-CG 3.35Å; T769-K773 PolarHBondContact O-N 3.02Å
770	W	85	Confident	80.5	Confident	30 Å²	30	70.2 Å²	70.2	11%	0.114	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-36.6	179.4	-73.3	110.9	0	0	0	112.5	K681 L684 E685 I748 L752 E766 Y767 K773 L774	K681-W770 HydrophobicContact CB-CH2 3.64Å; K681-W770 HydrophobicContact CB-CZ2 3.84Å; K681-W770 HydrophobicContact CB-CZ3 4.02Å; K681-W770 HydrophobicContact CD-CD2 4.38Å; K681-W770 HydrophobicContact CD-CH2 4.36Å; K681-W770 HydrophobicContact CD-CZ2 3.64Å; K681-W770 HydrophobicContact CG-CD2 4.07Å; K681-W770 HydrophobicContact CG-CE3 4.3Å; K681-W770 HydrophobicContact CG-CH2 3.99Å; K681-W770 HydrophobicContact CG-CZ2 3.75Å; K681-W770 HydrophobicContact CG-CZ3 4.26Å; L684-W770 HydrophobicContact CD2-CE3 3.97Å; L684-W770 HydrophobicContact CD2-CZ3 4.3Å; E685-W770 HydrophobicContact CG-CH2 4Å; E685-W770 HydrophobicContact CG-CZ3 3.99Å; E685-W770 WeakPolarHBondContact OE1-CH2 3.44Å; I748-W770 HydrophobicContact CD1-CB 4.16Å; I748-W770 HydrophobicContact CD1-CD2 4.09Å; I748-W770 HydrophobicContact CD1-CE3 3.61Å; I748-W770 HydrophobicContact CD1-CG 4.32Å; I748-W770 HydrophobicContact CD1-CZ3 4.34Å; L752-W770 HydrophobicContact CD2-CB 4.03Å; E766-W770 PolarHBondContact O-N 2.68Å; Y767-W770 PolarHBondContact O-N 3.27Å; W770-K773 HydrophobicContact CE3-CD 3.94Å; W770-K773 HydrophobicContact CZ3-CD 3.96Å; W770-K773 PolarHBondContact O-N 2.9Å; W770-L774 WeakPolarHBondContact O-CB 3.5Å; W770-L774 PolarHBondContact O-N 3.39Å
771	K	85.2	Confident	81.8	Confident	29 Å²	29	65.4 Å²	65.4	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-51.8	171.9	179.7	-177.2	-179.9	179.3	0	111.2	Y767 L768 K773 L774 V775 E806 D808	Y767-K771 HydrophobicContact CE1-CD 3.91Å; Y767-K771 WeakPolarHBondContact O-CB 3.45Å; Y767-K771 PolarHBondContact O-N 2.95Å; L768-K771 PolarHBondContact O-N 3.08Å; K771-K773 PolarHBondContact O-N 3.4Å; K771-L774 WeakPolarHBondContact O-CB 3.47Å; K771-L774 PolarHBondContact O-N 3.27Å; K771-V775 WeakPolarHBondContact O-CG2 3.37Å; K771-V775 PolarHBondContact O-N 2.8Å; K771-E806 WeakPolarHBondContact CD-OE2 2.97Å; K771-E806 WeakPolarHBondContact CE-O 3.37Å; K771-E806 VanDerWaalsContact CE-OE2 3.23Å; K771-E806 WeakPolarHBondContact CE-OE2 3.31Å; K771-E806 HydrophobicContact CG-CB 4.42Å; K771-E806 PolarHBondContact NZ-O 3.41Å; K771-E806 IonicContact NZ-OE2 3.19Å; K771-D808 IonicContact NZ-OD2 3.55Å
772	T	86.9	Confident	83.2	Confident	77 Å²	77	56.4 Å²	56.4	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-42.2	178.2	-59	0	0	0	0	111.8	L768 L774 N776	L768-T772 WeakPolarHBondContact O-CB 3.41Å; L768-T772 PolarHBondContact O-N 3.09Å; L768-T772 PolarHBondContact O-OG1 3.29Å; T772-L774 PolarHBondContact O-N 2.92Å; T772-N776 WeakPolarHBondContact O-CB 3.43Å; T772-N776 PolarHBondContact O-N 2.89Å; T772-N776 PolarHBondContact O-ND2 3.46Å
773	K	89.2	Confident	84.5	Confident	57 Å²	57	55.2 Å²	55.2	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-46.5	174.1	-77	-177.5	176.5	-176.8	0	111.6	L684 E685 M688 T769 W770 K771 T777	L684-K773 HydrophobicContact CD2-CB 3.92Å; E685-K773 IonicContact OE1-NZ 2.93Å; E685-K773 PolarHBondContact OE1-NZ 3.29Å; M688-K773 HydrophobicContact SD-CB 4.35Å; M688-K773 HydrophobicContact SD-CD 4.39Å; M688-K773 HydrophobicContact SD-CG 4.41Å; T769-K773 WeakPolarHBondContact O-CG 3.35Å; T769-K773 PolarHBondContact O-N 3.02Å; W770-K773 HydrophobicContact CE3-CD 3.94Å; W770-K773 HydrophobicContact CZ3-CD 3.96Å; W770-K773 PolarHBondContact O-N 2.9Å; K771-K773 PolarHBondContact O-N 3.4Å; K773-T777 WeakPolarHBondContact O-CB 3.15Å; K773-T777 PolarHBondContact O-N 3.47Å; K773-T777 PolarHBondContact O-OG1 3.06Å
774	L	89.1	Confident	85.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-51.9	-179.9	175	62.7	0	0	0	111.5	L684 C745 I748 F749 L752 W770 K771 T772 N776 T777 L778 I802	L684-L774 HydrophobicContact CD1-CD1 4.06Å; L684-L774 HydrophobicContact CD2-CB 4.11Å; C745-L774 HydrophobicContact CB-CD1 3.79Å; C745-L774 WeakPolarHBondContact O-CD1 3.15Å; I748-L774 HydrophobicContact CG2-CB 4.45Å; I748-L774 HydrophobicContact CG2-CD1 3.8Å; I748-L774 HydrophobicContact CG2-CD2 3.89Å; I748-L774 HydrophobicContact CG2-CG 4.26Å; F749-L774 HydrophobicContact CB-CD2 4.46Å; L752-L774 HydrophobicContact CD1-CD2 4.15Å; W770-L774 WeakPolarHBondContact O-CB 3.5Å; W770-L774 PolarHBondContact O-N 3.39Å; K771-L774 WeakPolarHBondContact O-CB 3.47Å; K771-L774 PolarHBondContact O-N 3.27Å; T772-L774 PolarHBondContact O-N 2.92Å; L774-N776 PolarHBondContact O-N 3.47Å; L774-T777 PolarHBondContact O-N 3.21Å; L774-L778 HydrophobicContact CD1-CD1 4.05Å; L774-L778 HydrophobicContact CD1-CG 4.28Å; L774-L778 HydrophobicContact CG-CD1 4.22Å; L774-L778 WeakPolarHBondContact O-CG 3.06Å; L774-L778 PolarHBondContact O-N 2.86Å; L774-I802 HydrophobicContact CD2-CG2 3.82Å; L774-I802 HydrophobicContact CG-CG2 4.32Å
775	V	88.5	Confident	86.4	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-49.7	-179.3	171.4	0	0	0	0	110.8	K771 T777 L778 Y779 L803 E806 D807	K771-V775 WeakPolarHBondContact O-CG2 3.37Å; K771-V775 PolarHBondContact O-N 2.8Å; V775-T777 VanDerWaalsContact C-N 3.32Å; V775-T777 PolarHBondContact O-N 3.34Å; V775-L778 PolarHBondContact O-N 3.35Å; V775-Y779 HydrophobicContact CG1-CD2 3.69Å; V775-Y779 HydrophobicContact CG1-CE2 3.53Å; V775-Y779 VanDerWaalsContact O-CD2 3.29Å; V775-Y779 WeakPolarHBondContact O-CD2 3.29Å; V775-Y779 PolarHBondContact O-N 2.66Å; V775-L803 HydrophobicContact CB-CD2 4.42Å; V775-L803 HydrophobicContact CG1-CD2 4Å; V775-L803 HydrophobicContact CG2-CD2 4.49Å; V775-E806 HydrophobicContact CG2-CB 4.12Å; V775-D807 HydrophobicContact CG1-CB 4.15Å; V775-D807 HydrophobicContact CG2-CB 4.46Å
776	N	89.7	Confident	86.8	Confident	91 Å²	91	41.2 Å²	41.2	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-41.3	179.1	-70.2	-13.4	0	0	0	112.3	T772 L774 Y779 D780	T772-N776 WeakPolarHBondContact O-CB 3.43Å; T772-N776 PolarHBondContact O-N 2.89Å; T772-N776 PolarHBondContact O-ND2 3.46Å; L774-N776 PolarHBondContact O-N 3.47Å; N776-Y779 PolarHBondContact O-N 2.9Å; N776-D780 WeakPolarHBondContact O-CB 3.36Å; N776-D780 PolarHBondContact O-N 3.02Å
777	T	89.2	Confident	87.2	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-39.6	179.8	-51.5	0	0	0	0	111.3	L684 M688 K773 L774 V775 D780 W781	L684-T777 HydrophobicContact CD1-CG2 4.12Å; M688-T777 HydrophobicContact CG-CG2 3.69Å; M688-T777 WeakPolarHBondContact CG-OG1 3.43Å; K773-T777 WeakPolarHBondContact O-CB 3.15Å; K773-T777 PolarHBondContact O-N 3.47Å; K773-T777 PolarHBondContact O-OG1 3.06Å; L774-T777 PolarHBondContact O-N 3.21Å; V775-T777 VanDerWaalsContact C-N 3.32Å; V775-T777 PolarHBondContact O-N 3.34Å; T777-D780 WeakPolarHBondContact O-CB 3.39Å; T777-D780 PolarHBondContact O-N 3.07Å; T777-W781 PolarHBondContact O-N 3.3Å
778	L	89.7	Confident	87.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-44.7	175.6	-74.4	173.8	0	0	0	111.7	T742 C745 F746 L774 V775 D780 W781 F782 I802 L803	T742-L778 HydrophobicContact CG2-CD2 4.24Å; C745-L778 HydrophobicContact CB-CD2 4Å; C745-L778 HydrophobicContact CB-CG 4.5Å; F746-L778 HydrophobicContact CE1-CD2 4.32Å; L774-L778 HydrophobicContact CD1-CD1 4.05Å; L774-L778 HydrophobicContact CD1-CG 4.28Å; L774-L778 HydrophobicContact CG-CD1 4.22Å; L774-L778 WeakPolarHBondContact O-CG 3.06Å; L774-L778 PolarHBondContact O-N 2.86Å; V775-L778 PolarHBondContact O-N 3.35Å; L778-D780 VanDerWaalsContact C-N 3.31Å; L778-D780 PolarHBondContact O-N 3.34Å; L778-W781 PolarHBondContact O-N 3.24Å; L778-F782 WeakPolarHBondContact O-CD2 3.16Å; L778-F782 PolarHBondContact O-N 3.4Å; L778-I802 HydrophobicContact CD1-CB 4.09Å; L778-I802 HydrophobicContact CD1-CG2 3.65Å; L778-L803 HydrophobicContact CB-CD1 4.37Å; L778-L803 HydrophobicContact CB-CD2 3.95Å; L778-L803 HydrophobicContact CB-CG 4.2Å; L778-L803 HydrophobicContact CD1-CD2 4.15Å; L778-L803 HydrophobicContact CD1-CG 4.13Å
779	Y	89.2	Confident	87.2	Confident	58 Å²	58	44.2 Å²	44.2	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-42.8	173.7	-83.8	-62.6	0	0	0	112.3	V775 N776 W781 F782 S783 L803 D807 F814	V775-Y779 HydrophobicContact CG1-CD2 3.69Å; V775-Y779 HydrophobicContact CG1-CE2 3.53Å; V775-Y779 VanDerWaalsContact O-CD2 3.29Å; V775-Y779 WeakPolarHBondContact O-CD2 3.29Å; V775-Y779 PolarHBondContact O-N 2.66Å; N776-Y779 PolarHBondContact O-N 2.9Å; Y779-W781 VanDerWaalsContact C-N 3.34Å; Y779-W781 PolarHBondContact O-N 2.94Å; Y779-F782 PolarHBondContact O-N 3.2Å; Y779-S783 WeakPolarHBondContact O-CB 3.29Å; Y779-S783 PolarHBondContact O-N 3.29Å; Y779-L803 HydrophobicContact CD2-CD2 4.18Å; Y779-L803 HydrophobicContact CE1-CD1 4.41Å; Y779-L803 HydrophobicContact CE2-CD2 3.96Å; Y779-D807 VanDerWaalsContact CE2-OD2 3.25Å; Y779-D807 WeakPolarHBondContact CE2-OD2 3.27Å; Y779-D807 VanDerWaalsContact CZ-OD2 3.31Å; Y779-D807 PolarHBondContact OH-OD2 3.45Å; Y779-F814 HydrophobicContact CD1-CD2 4.36Å; Y779-F814 HydrophobicContact CD1-CE1 4.08Å; Y779-F814 AromaticContact CD1-CE2 3.89Å; Y779-F814 HydrophobicContact CD1-CE2 3.89Å; Y779-F814 AromaticContact CD1-CZ 3.73Å; Y779-F814 HydrophobicContact CD1-CZ 3.73Å; Y779-F814 AromaticContact CE1-CD1 3.8Å; Y779-F814 HydrophobicContact CE1-CD1 3.8Å; Y779-F814 HydrophobicContact CE1-CD2 4.21Å; Y779-F814 AromaticContact CE1-CE1 3.68Å; Y779-F814 HydrophobicContact CE1-CE1 3.68Å; Y779-F814 HydrophobicContact CE1-CE2 4.09Å; Y779-F814 HydrophobicContact CE1-CG 4.06Å; Y779-F814 AromaticContact CE1-CZ 3.81Å; Y779-F814 HydrophobicContact CE1-CZ 3.81Å
780	D	88.9	Confident	87	Confident	57 Å²	57	42.4 Å²	42.4	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-58.9	-45	174.7	-89.9	-32	0	0	0	111.6	I691 K695 N776 T777 L778 S783 Y784	I691-D780 HydrophobicContact CD1-CB 3.73Å; I691-D780 VanDerWaalsContact CD1-O 3.31Å; I691-D780 WeakPolarHBondContact CD1-O 3.39Å; K695-D780 VanDerWaalsContact NZ-CG 3.28Å; K695-D780 IonicContact NZ-OD1 3.27Å; K695-D780 PolarHBondContact NZ-OD1 3.41Å; K695-D780 IonicContact NZ-OD2 3.87Å; N776-D780 WeakPolarHBondContact O-CB 3.36Å; N776-D780 PolarHBondContact O-N 3.02Å; T777-D780 WeakPolarHBondContact O-CB 3.39Å; T777-D780 PolarHBondContact O-N 3.07Å; L778-D780 VanDerWaalsContact C-N 3.31Å; L778-D780 PolarHBondContact O-N 3.34Å; D780-S783 PolarHBondContact O-N 3.48Å; D780-Y784 VanDerWaalsContact O-CB 3.26Å; D780-Y784 WeakPolarHBondContact O-CB 3.32Å; D780-Y784 PolarHBondContact O-N 2.58Å
781	W	91	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-43.1	176.8	-81.7	117.7	0	0	0	112.9	S687 I690 I691 L694 I738 T742 T777 L778 Y779 Y784 A785	S687-W781 PolarHBondContact OG-NE1 3.26Å; I690-W781 HydrophobicContact CB-CZ2 4.41Å; I690-W781 HydrophobicContact CG2-CH2 3.81Å; I690-W781 HydrophobicContact CG2-CZ2 4.12Å; I691-W781 HydrophobicContact CB-CD2 4.33Å; I691-W781 HydrophobicContact CB-CH2 4Å; I691-W781 HydrophobicContact CB-CZ2 3.76Å; I691-W781 HydrophobicContact CB-CZ3 4.36Å; I691-W781 HydrophobicContact CD1-CB 4.38Å; I691-W781 HydrophobicContact CD1-CD2 3.65Å; I691-W781 HydrophobicContact CD1-CE3 3.77Å; I691-W781 HydrophobicContact CD1-CG 3.93Å; I691-W781 HydrophobicContact CD1-CZ3 4.29Å; I691-W781 HydrophobicContact CG1-CD2 4.48Å; I691-W781 HydrophobicContact CG1-CE3 4.45Å; I691-W781 HydrophobicContact CG1-CZ3 4.5Å; L694-W781 HydrophobicContact CD1-CH2 4.11Å; L694-W781 HydrophobicContact CD1-CZ3 4.26Å; I738-W781 HydrophobicContact CB-CZ3 4.44Å; I738-W781 HydrophobicContact CG1-CZ3 4.11Å; T742-W781 HydrophobicContact CG2-CB 4.06Å; T742-W781 HydrophobicContact CG2-CG 4.06Å; T742-W781 VanDerWaalsContact OG1-CD2 3.31Å; T777-W781 PolarHBondContact O-N 3.3Å; L778-W781 PolarHBondContact O-N 3.24Å; Y779-W781 VanDerWaalsContact C-N 3.34Å; Y779-W781 PolarHBondContact O-N 2.94Å; W781-Y784 HydrophobicContact CE3-CD1 4.42Å; W781-Y784 HydrophobicContact CZ3-CD1 4.23Å; W781-Y784 PolarHBondContact O-N 3.35Å; W781-A785 WeakPolarHBondContact O-CB 3.36Å; W781-A785 PolarHBondContact O-N 2.93Å
782	F	89.1	Confident	86.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-46.3	175.3	-82.3	-70.9	0	0	0	111.7	L778 Y779 Y784 A785 D786 W795 A796 L800 L803 F814 V818	L778-F782 WeakPolarHBondContact O-CD2 3.16Å; L778-F782 PolarHBondContact O-N 3.4Å; Y779-F782 PolarHBondContact O-N 3.2Å; F782-Y784 PolarHBondContact O-N 2.77Å; F782-A785 PolarHBondContact O-N 2.76Å; F782-D786 WeakPolarHBondContact O-CB 3.45Å; F782-D786 PolarHBondContact O-N 2.85Å; F782-W795 AromaticContact CD1-CH2 3.52Å; F782-W795 HydrophobicContact CD1-CH2 3.52Å; F782-W795 AromaticContact CD1-CZ3 3.77Å; F782-W795 HydrophobicContact CD1-CZ3 3.77Å; F782-W795 HydrophobicContact CD2-CH2 4.48Å; F782-W795 HydrophobicContact CD2-CZ3 4.15Å; F782-W795 HydrophobicContact CE1-CE3 4.4Å; F782-W795 AromaticContact CE1-CH2 3.59Å; F782-W795 HydrophobicContact CE1-CH2 3.59Å; F782-W795 AromaticContact CE1-CZ3 3.45Å; F782-W795 HydrophobicContact CE1-CZ3 3.45Å; F782-W795 VanDerWaalsContact CE1-CZ3 3.45Å; F782-W795 AromaticContact CE2-CZ3 3.87Å; F782-W795 HydrophobicContact CE2-CZ3 3.87Å; F782-W795 AromaticContact CG-CH2 3.98Å; F782-W795 HydrophobicContact CG-CH2 3.98Å; F782-W795 HydrophobicContact CG-CZ3 4.11Å; F782-W795 HydrophobicContact CZ-CE3 4.3Å; F782-W795 HydrophobicContact CZ-CH2 4.13Å; F782-W795 AromaticContact CZ-CZ3 3.5Å; F782-W795 HydrophobicContact CZ-CZ3 3.5Å; F782-A796 HydrophobicContact CE1-CB 4.02Å; F782-A796 HydrophobicContact CZ-CB 4.47Å; F782-L800 HydrophobicContact CE1-CG 4.45Å; F782-L800 HydrophobicContact CZ-CD2 4.2Å; F782-L800 HydrophobicContact CZ-CG 3.97Å; F782-L803 HydrophobicContact CD2-CD1 3.9Å; F782-L803 HydrophobicContact CE2-CD1 3.64Å; F782-F814 HydrophobicContact CB-CE2 3.82Å; F782-F814 HydrophobicContact CB-CZ 3.57Å; F782-F814 HydrophobicContact CD1-CZ 4.29Å; F782-F814 HydrophobicContact CD2-CE1 4.35Å; F782-F814 AromaticContact CD2-CZ 3.69Å; F782-F814 HydrophobicContact CD2-CZ 3.69Å; F782-F814 HydrophobicContact CE2-CZ 4.45Å; F782-F814 HydrophobicContact CG-CE2 4.33Å; F782-F814 AromaticContact CG-CZ 3.61Å; F782-F814 HydrophobicContact CG-CZ 3.61Å; F782-V818 HydrophobicContact CD1-CG1 4.07Å; F782-V818 HydrophobicContact CD1-CG2 3.76Å; F782-V818 HydrophobicContact CE1-CG1 3.61Å; F782-V818 HydrophobicContact CE1-CG2 4.04Å; F782-V818 HydrophobicContact CG-CG2 4.42Å
783	S	87.6	Confident	86	Confident	77 Å²	77	37.2 Å²	37.2	54%	0.538	20%	0.202	S	C	.	.	H	α-helix	trans	-62.9	-41.5	177.4	178.4	0	0	0	0	112.3	Y779 D780 S787	Y779-S783 WeakPolarHBondContact O-CB 3.29Å; Y779-S783 PolarHBondContact O-N 3.29Å; D780-S783 PolarHBondContact O-N 3.48Å; S783-S787 PolarHBondContact O-N 3.44Å
784	Y	87.6	Confident	85.4	Confident	10 Å²	10	39 Å²	39	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-43.6	177.9	-171.7	-104.4	0	0	0	111.8	I691 L694 K695 D698 V734 I738 D780 W781 F782 D786 S787 H788	I691-Y784 HydrophobicContact CD1-CG 4.28Å; I691-Y784 HydrophobicContact CG1-CG 4.41Å; L694-Y784 HydrophobicContact CB-CE1 4.1Å; L694-Y784 HydrophobicContact CB-CE2 4.46Å; L694-Y784 HydrophobicContact CD1-CE1 3.94Å; K695-Y784 HydrophobicContact CG-CD2 3.86Å; K695-Y784 HydrophobicContact CG-CE2 4.07Å; D698-Y784 VanDerWaalsContact OD2-CE2 3.27Å; D698-Y784 WeakPolarHBondContact OD2-CE2 3.24Å; D698-Y784 VanDerWaalsContact OD2-CZ 3.31Å; D698-Y784 PolarHBondContact OD2-OH 2.92Å; V734-Y784 HydrophobicContact CG1-CE1 4.21Å; I738-Y784 HydrophobicContact CD1-CD1 4.19Å; I738-Y784 HydrophobicContact CD1-CE1 4.06Å; I738-Y784 HydrophobicContact CG1-CD1 4.04Å; I738-Y784 HydrophobicContact CG1-CE1 4Å; D780-Y784 VanDerWaalsContact O-CB 3.26Å; D780-Y784 WeakPolarHBondContact O-CB 3.32Å; D780-Y784 PolarHBondContact O-N 2.58Å; W781-Y784 HydrophobicContact CE3-CD1 4.42Å; W781-Y784 HydrophobicContact CZ3-CD1 4.23Å; W781-Y784 PolarHBondContact O-N 3.35Å; F782-Y784 PolarHBondContact O-N 2.77Å; Y784-D786 VanDerWaalsContact C-N 3.34Å; Y784-D786 PolarHBondContact O-N 3.25Å; Y784-S787 PolarHBondContact O-N 2.87Å; Y784-S787 PolarHBondContact O-OG 3.07Å; Y784-H788 AromaticContact CE1-CD2 3.83Å; Y784-H788 AromaticContact CE2-CD2 3.9Å; Y784-H788 AromaticContact CE2-NE2 3.67Å; Y784-H788 AromaticContact CZ-CD2 3.61Å; Y784-H788 AromaticContact CZ-NE2 3.38Å; Y784-H788 PolarHBondContact O-CD2 3.23Å; Y784-H788 PolarHBondContact O-N 3.48Å; Y784-H788 PolarHBondContact OH-NE2 3.24Å
785	A	87.2	Confident	85.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-36.2	176.8	0	0	0	0	0	112.6	I738 W781 F782 H788 N789 M790 I791 W795	I738-A785 HydrophobicContact CG2-CB 3.88Å; W781-A785 WeakPolarHBondContact O-CB 3.36Å; W781-A785 PolarHBondContact O-N 2.93Å; F782-A785 PolarHBondContact O-N 2.76Å; A785-H788 CarbonylContact O-C 3.37Å; A785-H788 PolarHBondContact O-N 3.2Å; A785-N789 PolarHBondContact O-N 2.95Å; A785-M790 PolarHBondContact O-N 3.24Å; A785-I791 HydrophobicContact CB-CG1 3.9Å; A785-W795 HydrophobicContact CB-CH2 4.22Å; A785-W795 HydrophobicContact CB-CZ2 3.78Å
786	D	85.9	Confident	84.9	Confident	80 Å²	80	38.4 Å²	38.4	43%	0.428	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-45.4	174.1	-168	46.1	0	0	0	111.1	F782 Y784 H788 N789 I791	F782-D786 WeakPolarHBondContact O-CB 3.45Å; F782-D786 PolarHBondContact O-N 2.85Å; Y784-D786 VanDerWaalsContact C-N 3.34Å; Y784-D786 PolarHBondContact O-N 3.25Å; D786-H788 PolarHBondContact O-N 3.07Å; D786-N789 PolarHBondContact O-N 3Å; D786-I791 HydrophobicContact CB-CD1 4.09Å
787	S	84.4	Confident	84.6	Confident	83 Å²	83	34.1 Å²	34.1	58%	0.58	19%	0.185	S	C	*	.	H	α-helix	trans	-61.2	-20.7	177.1	76.3	0	0	0	0	114.5	S783 Y784	S783-S787 PolarHBondContact O-N 3.44Å; Y784-S787 PolarHBondContact O-N 2.87Å; Y784-S787 PolarHBondContact O-OG 3.07Å
788	H	81.2	Confident	84.3	Confident	58 Å²	58	37.3 Å²	37.3	27%	0.269	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.6	178.5	-77.5	-81.5	0	0	0	113.4	D698 I738 Y784 A785 D786 M790	D698-H788 IonicContact OD2-CE1 3.98Å; D698-H788 PolarHBondContact OD2-CE1 3.22Å; D698-H788 IonicContact OD2-NE2 3.71Å; D698-H788 PolarHBondContact OD2-NE2 3.41Å; I738-H788 HydrophobicContact CD1-CB 4.08Å; Y784-H788 AromaticContact CE1-CD2 3.83Å; Y784-H788 AromaticContact CE2-CD2 3.9Å; Y784-H788 AromaticContact CE2-NE2 3.67Å; Y784-H788 AromaticContact CZ-CD2 3.61Å; Y784-H788 AromaticContact CZ-NE2 3.38Å; Y784-H788 PolarHBondContact O-CD2 3.23Å; Y784-H788 PolarHBondContact O-N 3.48Å; Y784-H788 PolarHBondContact OH-NE2 3.24Å; A785-H788 CarbonylContact O-C 3.37Å; A785-H788 PolarHBondContact O-N 3.2Å; D786-H788 PolarHBondContact O-N 3.07Å; H788-M790 VanDerWaalsContact C-N 3.34Å; H788-M790 HydrophobicContact CB-CB 4.48Å; H788-M790 HydrophobicContact CB-CG 4.22Å; H788-M790 WeakPolarHBondContact O-CG 3.47Å; H788-M790 PolarHBondContact O-N 2.94Å
789	N	81.4	Confident	84.1	Confident	129 Å²	129	37.3 Å²	37.3	69%	0.69	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	42.3	-173.3	-62.8	-47.5	0	0	0	113.9	A785 D786	A785-N789 PolarHBondContact O-N 2.95Å; D786-N789 PolarHBondContact O-N 3Å
790	M	80.4	Confident	83.8	Confident	38 Å²	38	34.5 Å²	34.5	19%	0.187	19%	0.187	C	C	.	.			trans	-123.5	25.3	-171.3	-72.5	-71.3	147.2	0	0	114.3	K735 I738 A785 H788 T792	K735-M790 HydrophobicContact CB-SD 4.19Å; K735-M790 HydrophobicContact CD-CE 3.51Å; K735-M790 HydrophobicContact CD-SD 3.89Å; K735-M790 HydrophobicContact CG-CE 3.81Å; K735-M790 HydrophobicContact CG-CG 4.09Å; K735-M790 HydrophobicContact CG-SD 3.67Å; I738-M790 HydrophobicContact CD1-CB 3.94Å; I738-M790 HydrophobicContact CD1-CG 4.32Å; I738-M790 HydrophobicContact CG2-CB 4.32Å; A785-M790 PolarHBondContact O-N 3.24Å; H788-M790 VanDerWaalsContact C-N 3.34Å; H788-M790 HydrophobicContact CB-CB 4.48Å; H788-M790 HydrophobicContact CB-CG 4.22Å; H788-M790 WeakPolarHBondContact O-CG 3.47Å; H788-M790 PolarHBondContact O-N 2.94Å; M790-T792 PolarHBondContact O-N 3.46Å
791	I	81.6	Confident	83.6	Confident	4 Å²	4	34 Å²	34	2%	0.021	18%	0.181	C	C	.	.			trans	-73.3	110.9	170.3	-61.6	176.4	0	0	0	107.9	A785 D786 A796 V818 C821 L822 Q825	A785-I791 HydrophobicContact CB-CG1 3.9Å; D786-I791 HydrophobicContact CB-CD1 4.09Å; I791-A796 HydrophobicContact CG2-CB 3.83Å; I791-V818 HydrophobicContact CG2-CG1 3.95Å; I791-C821 HydrophobicContact CB-CB 4.38Å; I791-C821 HydrophobicContact CD1-CB 3.95Å; I791-L822 HydrophobicContact CG2-CD2 3.9Å; I791-L822 HydrophobicContact CG2-CG 3.98Å; I791-Q825 PolarHBondContact O-NE2 2.78Å; I791-Q825 PolarHBondContact O-OE1 3.31Å
792	T	80.5	Confident	83.3	Confident	15 Å²	15	34 Å²	34	9%	0.092	18%	0.181	C	C	.	.			trans	-116.3	156.5	-176	63.7	0	0	0	0	112.7	M790 E794 W795 A796	M790-T792 PolarHBondContact O-N 3.46Å; T792-E794 PolarHBondContact O-N 2.93Å; T792-W795 PolarHBondContact OG1-NE1 2.96Å; T792-A796 WeakPolarHBondContact O-CB 3.31Å; T792-A796 PolarHBondContact O-N 3.17Å; T792-A796 VanDerWaalsContact O-N 3.12Å
793	W	75.7	Confident	83.1	Confident	8 Å²	8	33.9 Å²	33.9	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-29.8	178.6	-72.2	99.3	0	0	0	113.6	W795 T797 M819 L822 F829 Q836 L840 L871	W793-W795 VanDerWaalsContact C-N 3.34Å; W793-W795 PolarHBondContact O-N 2.86Å; W793-T797 HydrophobicContact CE3-CG2 3.72Å; W793-T797 HydrophobicContact CZ3-CG2 4.04Å; W793-T797 PolarHBondContact O-OG1 2.94Å; W793-T797 VanDerWaalsContact O-OG1 3.13Å; W793-M819 HydrophobicContact CH2-CE 4.33Å; W793-L822 HydrophobicContact CD2-CD2 4.02Å; W793-L822 HydrophobicContact CE3-CD1 4.34Å; W793-L822 HydrophobicContact CE3-CD2 4.44Å; W793-L822 HydrophobicContact CG-CD2 4.16Å; W793-L822 HydrophobicContact CH2-CB 3.79Å; W793-L822 HydrophobicContact CH2-CD1 4.07Å; W793-L822 HydrophobicContact CH2-CG 4.44Å; W793-L822 HydrophobicContact CZ2-CB 3.48Å; W793-L822 VanDerWaalsContact CZ2-CB 3.48Å; W793-L822 HydrophobicContact CZ2-CD1 4.47Å; W793-L822 HydrophobicContact CZ2-CD2 4.46Å; W793-L822 HydrophobicContact CZ2-CG 4.35Å; W793-L822 HydrophobicContact CZ3-CD1 4.04Å; W793-L822 PolarHBondContact NE1-O 2.88Å; W793-F829 HydrophobicContact CD2-CD2 4.1Å; W793-F829 HydrophobicContact CD2-CE2 4.49Å; W793-F829 AromaticContact CE2-CD2 3.6Å; W793-F829 HydrophobicContact CE3-CD2 4.23Å; W793-F829 HydrophobicContact CE3-CE2 4.17Å; W793-F829 AromaticContact CH2-CD2 3.56Å; W793-F829 HydrophobicContact CH2-CD2 3.56Å; W793-F829 AromaticContact CH2-CE2 3.32Å; W793-F829 HydrophobicContact CH2-CE2 3.32Å; W793-F829 AromaticContact CZ2-CD2 3.3Å; W793-F829 HydrophobicContact CZ2-CD2 3.3Å; W793-F829 AromaticContact CZ2-CE2 3.62Å; W793-F829 HydrophobicContact CZ2-CE2 3.62Å; W793-F829 AromaticContact CZ3-CD2 3.99Å; W793-F829 HydrophobicContact CZ3-CD2 3.99Å; W793-F829 AromaticContact CZ3-CE2 3.59Å; W793-F829 HydrophobicContact CZ3-CE2 3.59Å; W793-Q836 PolarHBondContact O-NE2 3.05Å; W793-L840 HydrophobicContact CZ3-CD2 4.09Å; W793-L871 HydrophobicContact CH2-CD2 3.47Å; W793-L871 VanDerWaalsContact CH2-CD2 3.47Å; W793-L871 HydrophobicContact CZ2-CD2 4.04Å; W793-L871 HydrophobicContact CZ3-CD2 4.48Å
794	E	76.2	Confident	83	Confident	95 Å²	95	32 Å²	32	44%	0.444	16%	0.164	S	C	.	.	H	α-helix	trans	-58.3	-38.1	-175.6	-68.3	-164.7	175.1	0	0	114.6	I739 K743 T792	I739-E794 VanDerWaalsContact CG2-OE2 3.26Å; I739-E794 WeakPolarHBondContact CG2-OE2 3.37Å; K743-E794 IonicContact NZ-OE2 3.67Å; K743-E794 PolarHBondContact NZ-OE2 3.39Å; T792-E794 PolarHBondContact O-N 2.93Å
795	W	82.9	Confident	82.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-123.8	-30	-173.3	70.2	-94.5	0	0	0	112.8	I738 T742 K743 F746 F782 A785 T792 W793 T797 K798 G799	I738-W795 HydrophobicContact CG2-CZ2 4.47Å; T742-W795 HydrophobicContact CG2-CD2 3.87Å; T742-W795 HydrophobicContact CG2-CE3 3.33Å; T742-W795 HydrophobicContact CG2-CG 4.49Å; T742-W795 HydrophobicContact CG2-CH2 4.44Å; T742-W795 HydrophobicContact CG2-CZ3 3.66Å; K743-W795 HydrophobicContact CG-CB 4.37Å; F746-W795 HydrophobicContact CE2-CB 4.25Å; F746-W795 HydrophobicContact CZ-CB 4.01Å; F782-W795 AromaticContact CD1-CH2 3.52Å; F782-W795 HydrophobicContact CD1-CH2 3.52Å; F782-W795 AromaticContact CD1-CZ3 3.77Å; F782-W795 HydrophobicContact CD1-CZ3 3.77Å; F782-W795 HydrophobicContact CD2-CH2 4.48Å; F782-W795 HydrophobicContact CD2-CZ3 4.15Å; F782-W795 HydrophobicContact CE1-CE3 4.4Å; F782-W795 AromaticContact CE1-CH2 3.59Å; F782-W795 HydrophobicContact CE1-CH2 3.59Å; F782-W795 AromaticContact CE1-CZ3 3.45Å; F782-W795 HydrophobicContact CE1-CZ3 3.45Å; F782-W795 VanDerWaalsContact CE1-CZ3 3.45Å; F782-W795 AromaticContact CE2-CZ3 3.87Å; F782-W795 HydrophobicContact CE2-CZ3 3.87Å; F782-W795 AromaticContact CG-CH2 3.98Å; F782-W795 HydrophobicContact CG-CH2 3.98Å; F782-W795 HydrophobicContact CG-CZ3 4.11Å; F782-W795 HydrophobicContact CZ-CE3 4.3Å; F782-W795 HydrophobicContact CZ-CH2 4.13Å; F782-W795 AromaticContact CZ-CZ3 3.5Å; F782-W795 HydrophobicContact CZ-CZ3 3.5Å; A785-W795 HydrophobicContact CB-CH2 4.22Å; A785-W795 HydrophobicContact CB-CZ2 3.78Å; T792-W795 PolarHBondContact OG1-NE1 2.96Å; W793-W795 VanDerWaalsContact C-N 3.34Å; W793-W795 PolarHBondContact O-N 2.86Å; W795-T797 VanDerWaalsContact C-N 3.31Å; W795-T797 PolarHBondContact O-N 3.36Å; W795-K798 PolarHBondContact O-N 3.43Å; W795-G799 PolarHBondContact O-N 2.68Å
796	A	84.8	Confident	82.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-38	-173.9	0	0	0	0	0	112.2	F782 I791 T792 G799 L800 L822	F782-A796 HydrophobicContact CE1-CB 4.02Å; F782-A796 HydrophobicContact CZ-CB 4.47Å; I791-A796 HydrophobicContact CG2-CB 3.83Å; T792-A796 WeakPolarHBondContact O-CB 3.31Å; T792-A796 PolarHBondContact O-N 3.17Å; T792-A796 VanDerWaalsContact O-N 3.12Å; A796-G799 PolarHBondContact O-N 2.98Å; A796-L800 WeakPolarHBondContact O-CB 3.2Å; A796-L800 WeakPolarHBondContact O-CG 3.37Å; A796-L800 PolarHBondContact O-N 2.9Å; A796-L822 HydrophobicContact CB-CD1 4.05Å; A796-L822 HydrophobicContact CB-CD2 4.05Å; A796-L822 HydrophobicContact CB-CG 4.46Å
797	T	82	Confident	82.3	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-49	177.7	51.7	0	0	0	0	111.9	W793 W795 Y801 L840	W793-T797 HydrophobicContact CE3-CG2 3.72Å; W793-T797 HydrophobicContact CZ3-CG2 4.04Å; W793-T797 PolarHBondContact O-OG1 2.94Å; W793-T797 VanDerWaalsContact O-OG1 3.13Å; W795-T797 VanDerWaalsContact C-N 3.31Å; W795-T797 PolarHBondContact O-N 3.36Å; T797-Y801 WeakPolarHBondContact O-CB 3.28Å; T797-Y801 PolarHBondContact O-N 3.12Å; T797-Y801 VanDerWaalsContact O-N 3.09Å; T797-L840 HydrophobicContact CG2-CD1 4.34Å
798	K	83.1	Confident	81.9	Confident	67 Å²	67	37.4 Å²	37.4	29%	0.291	18%	0.182	S	C	.	.	H	α-helix	trans	-69.7	-38.4	177	-169.7	166.3	-178.7	177.3	0	112.1	F746 W795 Y801 I802 L839	F746-K798 HydrophobicContact CB-CD 4.39Å; F746-K798 HydrophobicContact CD1-CG 4.36Å; F746-K798 HydrophobicContact CD2-CD 3.7Å; F746-K798 HydrophobicContact CD2-CG 4.25Å; F746-K798 HydrophobicContact CE1-CB 4.48Å; F746-K798 HydrophobicContact CE1-CG 4.38Å; F746-K798 HydrophobicContact CE2-CB 4.14Å; F746-K798 HydrophobicContact CE2-CD 4.01Å; F746-K798 HydrophobicContact CE2-CG 4.24Å; F746-K798 HydrophobicContact CG-CD 3.97Å; F746-K798 HydrophobicContact CG-CG 4.31Å; F746-K798 HydrophobicContact CZ-CB 4.06Å; F746-K798 HydrophobicContact CZ-CG 4.31Å; W795-K798 PolarHBondContact O-N 3.43Å; K798-Y801 PolarHBondContact O-N 2.88Å; K798-I802 HydrophobicContact CG-CD1 4.19Å; K798-I802 VanDerWaalsContact O-CG1 3.26Å; K798-I802 WeakPolarHBondContact O-CG1 3.28Å; K798-I802 PolarHBondContact O-N 2.96Å; K798-L839 HydrophobicContact CB-CD1 4.19Å; K798-L839 HydrophobicContact CG-CD1 4.28Å
799	G	85.1	Confident	81.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-47	175.4	0	0	0	0	0	112.8	W795 A796 Y801 I802 L803	W795-G799 PolarHBondContact O-N 2.68Å; A796-G799 PolarHBondContact O-N 2.98Å; G799-Y801 VanDerWaalsContact C-N 3.35Å; G799-Y801 PolarHBondContact O-N 3.14Å; G799-I802 PolarHBondContact O-N 3.34Å; G799-L803 WeakPolarHBondContact O-CG 3.29Å; G799-L803 PolarHBondContact O-N 2.93Å
800	L	84.4	Confident	81.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-41.2	175.5	-78.1	175.8	0	0	0	111.8	F782 A796 I802 L803 L804 F814 M815 V818 M819 V843	F782-L800 HydrophobicContact CE1-CG 4.45Å; F782-L800 HydrophobicContact CZ-CD2 4.2Å; F782-L800 HydrophobicContact CZ-CG 3.97Å; A796-L800 WeakPolarHBondContact O-CB 3.2Å; A796-L800 WeakPolarHBondContact O-CG 3.37Å; A796-L800 PolarHBondContact O-N 2.9Å; L800-I802 VanDerWaalsContact C-N 3.34Å; L800-I802 PolarHBondContact O-N 3.06Å; L800-L803 PolarHBondContact O-N 2.85Å; L800-L804 VanDerWaalsContact O-CB 3.29Å; L800-L804 WeakPolarHBondContact O-CB 3.44Å; L800-L804 PolarHBondContact O-N 3.37Å; L800-F814 HydrophobicContact CD2-CE1 4.26Å; L800-M815 HydrophobicContact CD2-CG 4.49Å; L800-V818 HydrophobicContact CD1-CB 4.37Å; L800-V818 HydrophobicContact CD1-CG1 3.72Å; L800-V818 HydrophobicContact CD2-CB 4.32Å; L800-V818 HydrophobicContact CD2-CG1 4.18Å; L800-V818 HydrophobicContact CD2-CG2 4.44Å; L800-V818 HydrophobicContact CG-CG1 4.1Å; L800-M819 HydrophobicContact CD1-SD 3.9Å; L800-V843 HydrophobicContact CB-CG2 4.44Å
801	Y	84.2	Confident	81.6	Confident	45 Å²	45	43.1 Å²	43.1	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-41.1	175.8	178.4	-96.3	0	0	0	112.6	F749 T797 K798 G799 L804 K805 L839 P842	F749-Y801 HydrophobicContact CE1-CE1 4.24Å; F749-Y801 HydrophobicContact CZ-CE1 4.28Å; T797-Y801 WeakPolarHBondContact O-CB 3.28Å; T797-Y801 PolarHBondContact O-N 3.12Å; T797-Y801 VanDerWaalsContact O-N 3.09Å; K798-Y801 PolarHBondContact O-N 2.88Å; G799-Y801 VanDerWaalsContact C-N 3.35Å; G799-Y801 PolarHBondContact O-N 3.14Å; Y801-L804 PolarHBondContact O-N 3.46Å; Y801-K805 HydrophobicContact CD1-CD 4.37Å; Y801-K805 HydrophobicContact CE1-CD 3.65Å; Y801-K805 HydrophobicContact CE1-CG 4.48Å; Y801-K805 HydrophobicContact CE2-CD 4.46Å; Y801-K805 VanDerWaalsContact CZ-CE 3.42Å; Y801-K805 PolarHBondContact O-N 3Å; Y801-K805 VanDerWaalsContact O-N 3.1Å; Y801-K805 WeakPolarHBondContact OH-CE 3.27Å; Y801-K805 PolarHBondContact OH-NZ 2.81Å; Y801-L839 HydrophobicContact CD1-CD2 3.56Å; Y801-L839 HydrophobicContact CD2-CB 4.4Å; Y801-L839 HydrophobicContact CD2-CD2 3.87Å; Y801-L839 WeakPolarHBondContact CD2-O 3.41Å; Y801-L839 HydrophobicContact CE1-CD2 3.69Å; Y801-L839 HydrophobicContact CE2-CD2 3.98Å; Y801-L839 HydrophobicContact CG-CB 4.4Å; Y801-L839 HydrophobicContact CG-CD2 3.62Å; Y801-P842 HydrophobicContact CE2-CG 4.23Å
802	I	83.7	Confident	81.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-47.2	176.4	-69.1	166.4	0	0	0	110.4	F746 F749 L774 L778 K798 G799 L800 L804 K805 E806	F746-I802 HydrophobicContact CD1-CD1 3.47Å; F746-I802 VanDerWaalsContact CD1-CD1 3.47Å; F746-I802 HydrophobicContact CE1-CD1 4.01Å; F746-I802 HydrophobicContact CG-CD1 4.29Å; F749-I802 HydrophobicContact CB-CD1 4.09Å; F749-I802 HydrophobicContact CB-CG1 4.26Å; F749-I802 HydrophobicContact CD1-CD1 4.45Å; F749-I802 HydrophobicContact CD1-CG1 4.02Å; F749-I802 HydrophobicContact CD2-CB 4.38Å; F749-I802 HydrophobicContact CD2-CG1 3.97Å; F749-I802 HydrophobicContact CD2-CG2 3.85Å; F749-I802 HydrophobicContact CE1-CG1 4.37Å; F749-I802 HydrophobicContact CE2-CG1 4.34Å; F749-I802 HydrophobicContact CE2-CG2 4.38Å; F749-I802 HydrophobicContact CG-CD1 4.16Å; F749-I802 HydrophobicContact CG-CG1 3.8Å; F749-I802 HydrophobicContact CG-CG2 4.34Å; L774-I802 HydrophobicContact CD2-CG2 3.82Å; L774-I802 HydrophobicContact CG-CG2 4.32Å; L778-I802 HydrophobicContact CD1-CB 4.09Å; L778-I802 HydrophobicContact CD1-CG2 3.65Å; K798-I802 HydrophobicContact CG-CD1 4.19Å; K798-I802 VanDerWaalsContact O-CG1 3.26Å; K798-I802 WeakPolarHBondContact O-CG1 3.28Å; K798-I802 PolarHBondContact O-N 2.96Å; G799-I802 PolarHBondContact O-N 3.34Å; L800-I802 VanDerWaalsContact C-N 3.34Å; L800-I802 PolarHBondContact O-N 3.06Å; I802-L804 VanDerWaalsContact C-N 3.28Å; I802-L804 PolarHBondContact O-N 2.88Å; I802-K805 PolarHBondContact O-N 3.34Å; I802-K805 VanDerWaalsContact O-N 3.17Å; I802-E806 HydrophobicContact CG2-CG 4.46Å; I802-E806 WeakPolarHBondContact O-CB 3.44Å; I802-E806 PolarHBondContact O-N 3.19Å
803	L	86.1	Confident	81.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-41.6	175.6	-72.3	175.1	0	0	0	111.1	V775 L778 Y779 F782 G799 L800 K805 E806 D807 I810 F814	V775-L803 HydrophobicContact CB-CD2 4.42Å; V775-L803 HydrophobicContact CG1-CD2 4Å; V775-L803 HydrophobicContact CG2-CD2 4.49Å; L778-L803 HydrophobicContact CB-CD1 4.37Å; L778-L803 HydrophobicContact CB-CD2 3.95Å; L778-L803 HydrophobicContact CB-CG 4.2Å; L778-L803 HydrophobicContact CD1-CD2 4.15Å; L778-L803 HydrophobicContact CD1-CG 4.13Å; Y779-L803 HydrophobicContact CD2-CD2 4.18Å; Y779-L803 HydrophobicContact CE1-CD1 4.41Å; Y779-L803 HydrophobicContact CE2-CD2 3.96Å; F782-L803 HydrophobicContact CD2-CD1 3.9Å; F782-L803 HydrophobicContact CE2-CD1 3.64Å; G799-L803 WeakPolarHBondContact O-CG 3.29Å; G799-L803 PolarHBondContact O-N 2.93Å; L800-L803 PolarHBondContact O-N 2.85Å; L803-K805 VanDerWaalsContact C-N 3.27Å; L803-K805 PolarHBondContact O-N 3.4Å; L803-E806 PolarHBondContact O-N 3.4Å; L803-D807 WeakPolarHBondContact O-CA 3.48Å; L803-D807 WeakPolarHBondContact O-CB 3.47Å; L803-D807 PolarHBondContact O-N 3.46Å; L803-I810 HydrophobicContact CB-CD1 3.72Å; L803-F814 HydrophobicContact CD1-CE1 3.87Å; L803-F814 HydrophobicContact CD1-CZ 4.33Å
804	L	84	Confident	81.8	Confident	37 Å²	37	52 Å²	52	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-34.1	178	-179.9	66.2	0	0	0	113	L800 Y801 I802 I810 M815 P842 V843 I846	L800-L804 VanDerWaalsContact O-CB 3.29Å; L800-L804 WeakPolarHBondContact O-CB 3.44Å; L800-L804 PolarHBondContact O-N 3.37Å; Y801-L804 PolarHBondContact O-N 3.46Å; I802-L804 VanDerWaalsContact C-N 3.28Å; I802-L804 PolarHBondContact O-N 2.88Å; L804-I810 HydrophobicContact CD1-CG2 4.48Å; L804-M815 HydrophobicContact CD1-CE 4.49Å; L804-P842 HydrophobicContact CD2-CB 4.06Å; L804-V843 HydrophobicContact CD2-CG2 4.03Å; L804-I846 HydrophobicContact CD1-CD1 3.32Å; L804-I846 HydrophobicContact CD2-CD1 3.75Å; L804-I846 HydrophobicContact CG-CD1 4.06Å
805	K	82.5	Confident	82	Confident	115 Å²	115	47.6 Å²	47.6	50%	0.5	23%	0.227	S	C	.	.	H	α-helix	trans	-83.1	-34	179.9	-86	-169.7	160.6	-176.4	0	114	F749 Y801 I802 L803	F749-K805 HydrophobicContact CE2-CB 4.23Å; F749-K805 HydrophobicContact CE2-CD 4.33Å; F749-K805 HydrophobicContact CZ-CB 4.35Å; F749-K805 HydrophobicContact CZ-CD 3.66Å; Y801-K805 HydrophobicContact CD1-CD 4.37Å; Y801-K805 HydrophobicContact CE1-CD 3.65Å; Y801-K805 HydrophobicContact CE1-CG 4.48Å; Y801-K805 HydrophobicContact CE2-CD 4.46Å; Y801-K805 VanDerWaalsContact CZ-CE 3.42Å; Y801-K805 PolarHBondContact O-N 3Å; Y801-K805 VanDerWaalsContact O-N 3.1Å; Y801-K805 WeakPolarHBondContact OH-CE 3.27Å; Y801-K805 PolarHBondContact OH-NZ 2.81Å; I802-K805 PolarHBondContact O-N 3.34Å; I802-K805 VanDerWaalsContact O-N 3.17Å; L803-K805 VanDerWaalsContact C-N 3.27Å; L803-K805 PolarHBondContact O-N 3.4Å
806	E	82.4	Confident	81.9	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-103.6	-30	-172.4	-65	-63	151.9	0	0	112.9	F749 Y767 K771 V775 I802 L803 D808	F749-E806 HydrophobicContact CD2-CG 4.07Å; F749-E806 HydrophobicContact CE2-CG 3.92Å; Y767-E806 PolarHBondContact OH-OE2 3.31Å; K771-E806 WeakPolarHBondContact CD-OE2 2.97Å; K771-E806 WeakPolarHBondContact CE-O 3.37Å; K771-E806 VanDerWaalsContact CE-OE2 3.23Å; K771-E806 WeakPolarHBondContact CE-OE2 3.31Å; K771-E806 HydrophobicContact CG-CB 4.42Å; K771-E806 PolarHBondContact NZ-O 3.41Å; K771-E806 IonicContact NZ-OE2 3.19Å; V775-E806 HydrophobicContact CG2-CB 4.12Å; I802-E806 HydrophobicContact CG2-CG 4.46Å; I802-E806 WeakPolarHBondContact O-CB 3.44Å; I802-E806 PolarHBondContact O-N 3.19Å; L803-E806 PolarHBondContact O-N 3.4Å; E806-D808 PolarHBondContact O-N 3Å
807	D	82	Confident	81.8	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.144	25%	0.251	C	S	.	.			trans	-90.9	108.4	179.6	-171.9	8.3	0	0	0	111.8	V775 Y779 L803 F809 I810	V775-D807 HydrophobicContact CG1-CB 4.15Å; V775-D807 HydrophobicContact CG2-CB 4.46Å; Y779-D807 VanDerWaalsContact CE2-OD2 3.25Å; Y779-D807 WeakPolarHBondContact CE2-OD2 3.27Å; Y779-D807 VanDerWaalsContact CZ-OD2 3.31Å; Y779-D807 PolarHBondContact OH-OD2 3.45Å; L803-D807 WeakPolarHBondContact O-CA 3.48Å; L803-D807 WeakPolarHBondContact O-CB 3.47Å; L803-D807 PolarHBondContact O-N 3.46Å; D807-F809 PolarHBondContact O-N 3.18Å; D807-F809 PolarHBondContact OD1-N 2.84Å; D807-I810 HydrophobicContact CB-CB 4.28Å; D807-I810 PolarHBondContact OD2-N 3.44Å
808	D	75.2	Confident	81.8	Confident	128 Å²	128	52.2 Å²	52.2	68%	0.684	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.3	177.5	-59.9	-45.2	0	0	0	112.6	K771 E806	K771-D808 IonicContact NZ-OD2 3.55Å; E806-D808 PolarHBondContact O-N 3Å
809	F	78.6	Confident	81.6	Confident	178 Å²	178	49 Å²	49	78%	0.781	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.1	22.7	-173.4	-58.4	-78.6	0	0	0	113.8	D807 Q811	D807-F809 PolarHBondContact O-N 3.18Å; D807-F809 PolarHBondContact OD1-N 2.84Å; F809-Q811 PolarHBondContact O-N 3.36Å
810	I	79.2	Confident	81.3	Confident	32 Å²	32	51.2 Å²	51.2	16%	0.164	25%	0.248	C	C	.	.			trans	-54	124.5	-179.6	-165.9	170.3	0	0	0	111.2	L803 L804 D807 M815	L803-I810 HydrophobicContact CB-CD1 3.72Å; L804-I810 HydrophobicContact CD1-CG2 4.48Å; D807-I810 HydrophobicContact CB-CB 4.28Å; D807-I810 PolarHBondContact OD2-N 3.44Å; I810-M815 HydrophobicContact CD1-CG 3.78Å; I810-M815 HydrophobicContact CD1-SD 3.78Å; I810-M815 HydrophobicContact CG1-CG 4.02Å; I810-M815 HydrophobicContact CG1-SD 4.06Å; I810-M815 HydrophobicContact CG2-SD 4.2Å
811	Q	80	Confident	81	Confident	136 Å²	136	52.7 Å²	52.7	64%	0.636	26%	0.258	S	S	*	.			trans	-77.8	126.9	-179.3	-67.3	-177.7	-6.8	0	0	110.2	F809 D813 F814 M815	F809-Q811 PolarHBondContact O-N 3.36Å; Q811-D813 PolarHBondContact O-N 3.43Å; Q811-F814 HydrophobicContact CB-CB 4.22Å; Q811-F814 WeakPolarHBondContact O-CB 3.25Å; Q811-F814 PolarHBondContact O-N 2.78Å; Q811-F814 VanDerWaalsContact O-N 3.15Å; Q811-M815 PolarHBondContact O-N 3.02Å
812	L	78.1	Confident	80.7	Confident	76 Å²	76	50.5 Å²	50.5	40%	0.398	25%	0.249	S	C	.	.	H	α-helix	trans	-59.3	-36	178.3	-76.8	161.5	0	0	0	112.3	F814 M815 W816 I846 L847	L812-F814 VanDerWaalsContact C-N 3.33Å; L812-F814 PolarHBondContact O-N 3.38Å; L812-M815 PolarHBondContact O-N 3.04Å; L812-W816 VanDerWaalsContact O-CD1 3.26Å; L812-W816 PolarHBondContact O-N 3.33Å; L812-I846 HydrophobicContact CD2-CG2 4Å; L812-L847 HydrophobicContact CD2-CD2 4.36Å
813	D	79.4	Confident	80.2	Confident	99 Å²	99	51.9 Å²	51.9	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-37.2	178.3	-64.8	-34.6	0	0	0	112	Q811 W816 N817 K864	Q811-D813 PolarHBondContact O-N 3.43Å; D813-W816 PolarHBondContact O-N 2.91Å; D813-N817 PolarHBondContact O-N 3.37Å; D813-N817 PolarHBondContact O-ND2 3.41Å; D813-N817 PolarHBondContact O-OD1 2.9Å; D813-K864 IonicContact OD1-NZ 2.85Å
814	F	83.3	Confident	79.5	Confident	39 Å²	39	59.6 Å²	59.6	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-46.5	173.9	169.9	-96.2	0	0	0	111.3	Y779 F782 L800 L803 Q811 L812 W816 N817 V818	Y779-F814 HydrophobicContact CD1-CD2 4.36Å; Y779-F814 HydrophobicContact CD1-CE1 4.08Å; Y779-F814 AromaticContact CD1-CE2 3.89Å; Y779-F814 HydrophobicContact CD1-CE2 3.89Å; Y779-F814 AromaticContact CD1-CZ 3.73Å; Y779-F814 HydrophobicContact CD1-CZ 3.73Å; Y779-F814 AromaticContact CE1-CD1 3.8Å; Y779-F814 HydrophobicContact CE1-CD1 3.8Å; Y779-F814 HydrophobicContact CE1-CD2 4.21Å; Y779-F814 AromaticContact CE1-CE1 3.68Å; Y779-F814 HydrophobicContact CE1-CE1 3.68Å; Y779-F814 HydrophobicContact CE1-CE2 4.09Å; Y779-F814 HydrophobicContact CE1-CG 4.06Å; Y779-F814 AromaticContact CE1-CZ 3.81Å; Y779-F814 HydrophobicContact CE1-CZ 3.81Å; F782-F814 HydrophobicContact CB-CE2 3.82Å; F782-F814 HydrophobicContact CB-CZ 3.57Å; F782-F814 HydrophobicContact CD1-CZ 4.29Å; F782-F814 HydrophobicContact CD2-CE1 4.35Å; F782-F814 AromaticContact CD2-CZ 3.69Å; F782-F814 HydrophobicContact CD2-CZ 3.69Å; F782-F814 HydrophobicContact CE2-CZ 4.45Å; F782-F814 HydrophobicContact CG-CE2 4.33Å; F782-F814 AromaticContact CG-CZ 3.61Å; F782-F814 HydrophobicContact CG-CZ 3.61Å; L800-F814 HydrophobicContact CD2-CE1 4.26Å; L803-F814 HydrophobicContact CD1-CE1 3.87Å; L803-F814 HydrophobicContact CD1-CZ 4.33Å; Q811-F814 HydrophobicContact CB-CB 4.22Å; Q811-F814 WeakPolarHBondContact O-CB 3.25Å; Q811-F814 PolarHBondContact O-N 2.78Å; Q811-F814 VanDerWaalsContact O-N 3.15Å; L812-F814 VanDerWaalsContact C-N 3.33Å; L812-F814 PolarHBondContact O-N 3.38Å; F814-W816 VanDerWaalsContact C-N 3.32Å; F814-W816 PolarHBondContact O-N 3.35Å; F814-N817 PolarHBondContact O-N 3Å; F814-V818 HydrophobicContact CE1-CG2 4.12Å; F814-V818 HydrophobicContact CE2-CG2 4.17Å; F814-V818 HydrophobicContact CZ-CG2 3.92Å; F814-V818 WeakPolarHBondContact O-CG2 3.41Å; F814-V818 PolarHBondContact O-N 3.49Å; F814-V818 VanDerWaalsContact O-N 3.08Å
815	M	81.6	Confident	78.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-42.4	177.3	-64.4	175.3	68.9	0	0	111.4	L800 L804 I810 Q811 L812 N817 V818 M819 V843 L847	L800-M815 HydrophobicContact CD2-CG 4.49Å; L804-M815 HydrophobicContact CD1-CE 4.49Å; I810-M815 HydrophobicContact CD1-CG 3.78Å; I810-M815 HydrophobicContact CD1-SD 3.78Å; I810-M815 HydrophobicContact CG1-CG 4.02Å; I810-M815 HydrophobicContact CG1-SD 4.06Å; I810-M815 HydrophobicContact CG2-SD 4.2Å; Q811-M815 PolarHBondContact O-N 3.02Å; L812-M815 PolarHBondContact O-N 3.04Å; M815-N817 PolarHBondContact O-N 3.45Å; M815-V818 PolarHBondContact O-N 3.33Å; M815-M819 VanDerWaalsContact O-CG 3.3Å; M815-M819 WeakPolarHBondContact O-CG 3.44Å; M815-M819 PolarHBondContact O-N 2.9Å; M815-V843 HydrophobicContact CE-CB 4.42Å; M815-V843 HydrophobicContact CE-CG1 3.62Å; M815-L847 HydrophobicContact CB-CD2 3.91Å; M815-L847 HydrophobicContact CE-CD2 4.42Å; M815-L847 HydrophobicContact CE-CG 4.37Å
816	W	81	Confident	77.4	Confident	5 Å²	5	61 Å²	61	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-45	175.3	-87.7	116.8	0	0	0	112.7	L812 D813 F814 M819 Q820 L847 S850 I851 K864 C867 L868	L812-W816 VanDerWaalsContact O-CD1 3.26Å; L812-W816 PolarHBondContact O-N 3.33Å; D813-W816 PolarHBondContact O-N 2.91Å; F814-W816 VanDerWaalsContact C-N 3.32Å; F814-W816 PolarHBondContact O-N 3.35Å; W816-M819 PolarHBondContact O-N 2.88Å; W816-Q820 WeakPolarHBondContact O-CG 3.17Å; W816-Q820 PolarHBondContact O-N 2.85Å; W816-L847 HydrophobicContact CD2-CD2 4.06Å; W816-L847 HydrophobicContact CG-CD2 4.12Å; W816-L847 HydrophobicContact CH2-CB 4.47Å; W816-L847 HydrophobicContact CZ2-CB 3.99Å; W816-L847 HydrophobicContact CZ2-CD2 4.32Å; W816-S850 PolarHBondContact NE1-OG 3.38Å; W816-I851 HydrophobicContact CH2-CD1 3.74Å; W816-I851 HydrophobicContact CH2-CG1 4.36Å; W816-I851 HydrophobicContact CZ2-CD1 3.64Å; W816-I851 HydrophobicContact CZ2-CG1 3.74Å; W816-K864 HydrophobicContact CD2-CB 4.34Å; W816-K864 HydrophobicContact CD2-CD 3.81Å; W816-K864 HydrophobicContact CD2-CG 3.7Å; W816-K864 HydrophobicContact CE3-CB 4.1Å; W816-K864 HydrophobicContact CE3-CD 4.31Å; W816-K864 HydrophobicContact CE3-CG 3.65Å; W816-K864 HydrophobicContact CG-CD 4.06Å; W816-K864 HydrophobicContact CG-CG 4.33Å; W816-K864 HydrophobicContact CH2-CB 3.52Å; W816-K864 HydrophobicContact CH2-CG 3.98Å; W816-K864 VanDerWaalsContact CH2-O 3.23Å; W816-K864 WeakPolarHBondContact CH2-O 3.5Å; W816-K864 HydrophobicContact CZ2-CB 3.84Å; W816-K864 HydrophobicContact CZ2-CD 4.2Å; W816-K864 HydrophobicContact CZ2-CG 4.08Å; W816-K864 HydrophobicContact CZ3-CB 3.68Å; W816-K864 HydrophobicContact CZ3-CG 3.79Å; W816-K864 WeakPolarHBondContact CZ3-O 3.36Å; W816-C867 HydrophobicContact CZ3-CB 4.26Å; W816-L868 HydrophobicContact CH2-CD1 3.49Å; W816-L868 VanDerWaalsContact CH2-CD1 3.49Å; W816-L868 HydrophobicContact CH2-CD2 4.35Å; W816-L868 HydrophobicContact CH2-CG 3.56Å; W816-L868 HydrophobicContact CZ2-CD1 4.01Å; W816-L868 HydrophobicContact CZ2-CG 4.46Å; W816-L868 HydrophobicContact CZ3-CG 4.23Å
817	N	81.8	Confident	75.9	Confident	90 Å²	90	66.7 Å²	66.7	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-46	178.8	-68.1	-14.8	0	0	0	111.6	D813 F814 M815 M819 Q820 C821	D813-N817 PolarHBondContact O-N 3.37Å; D813-N817 PolarHBondContact O-ND2 3.41Å; D813-N817 PolarHBondContact O-OD1 2.9Å; F814-N817 PolarHBondContact O-N 3Å; M815-N817 PolarHBondContact O-N 3.45Å; N817-M819 VanDerWaalsContact C-N 3.34Å; N817-M819 PolarHBondContact O-N 3.03Å; N817-Q820 PolarHBondContact O-N 3.24Å; N817-C821 PolarHBondContact O-N 3.33Å; N817-C821 PolarHBondContact O-SG 3.47Å; N817-C821 VanDerWaalsContact O-SG 3.32Å
818	V	81.5	Confident	74.6	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-43.8	176.8	177.1	0	0	0	0	111.1	F782 I791 L800 F814 M815 C821 L822	F782-V818 HydrophobicContact CD1-CG1 4.07Å; F782-V818 HydrophobicContact CD1-CG2 3.76Å; F782-V818 HydrophobicContact CE1-CG1 3.61Å; F782-V818 HydrophobicContact CE1-CG2 4.04Å; F782-V818 HydrophobicContact CG-CG2 4.42Å; I791-V818 HydrophobicContact CG2-CG1 3.95Å; L800-V818 HydrophobicContact CD1-CB 4.37Å; L800-V818 HydrophobicContact CD1-CG1 3.72Å; L800-V818 HydrophobicContact CD2-CB 4.32Å; L800-V818 HydrophobicContact CD2-CG1 4.18Å; L800-V818 HydrophobicContact CD2-CG2 4.44Å; L800-V818 HydrophobicContact CG-CG1 4.1Å; F814-V818 HydrophobicContact CE1-CG2 4.12Å; F814-V818 HydrophobicContact CE2-CG2 4.17Å; F814-V818 HydrophobicContact CZ-CG2 3.92Å; F814-V818 WeakPolarHBondContact O-CG2 3.41Å; F814-V818 PolarHBondContact O-N 3.49Å; F814-V818 VanDerWaalsContact O-N 3.08Å; M815-V818 PolarHBondContact O-N 3.33Å; V818-C821 PolarHBondContact O-N 3.01Å; V818-L822 HydrophobicContact CG1-CD1 4.26Å; V818-L822 WeakPolarHBondContact O-CG 3.39Å; V818-L822 PolarHBondContact O-N 3.42Å
819	M	79	Confident	73.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-40.1	178.8	-68.3	-53.2	-62.8	0	0	112.5	W793 L800 M815 W816 N817 C821 L822 V823 L840 L844 L847 L871	W793-M819 HydrophobicContact CH2-CE 4.33Å; L800-M819 HydrophobicContact CD1-SD 3.9Å; M815-M819 VanDerWaalsContact O-CG 3.3Å; M815-M819 WeakPolarHBondContact O-CG 3.44Å; M815-M819 PolarHBondContact O-N 2.9Å; W816-M819 PolarHBondContact O-N 2.88Å; N817-M819 VanDerWaalsContact C-N 3.34Å; N817-M819 PolarHBondContact O-N 3.03Å; M819-C821 VanDerWaalsContact C-N 3.33Å; M819-C821 PolarHBondContact O-N 2.65Å; M819-L822 PolarHBondContact O-N 2.89Å; M819-L822 HydrophobicContact SD-CD1 4.04Å; M819-V823 WeakPolarHBondContact O-CG2 3.47Å; M819-V823 PolarHBondContact O-N 2.86Å; M819-L840 HydrophobicContact CE-CD1 4.03Å; M819-L840 HydrophobicContact SD-CD1 4.18Å; M819-L844 HydrophobicContact CE-CD2 4.16Å; M819-L847 HydrophobicContact CG-CD1 3.77Å; M819-L871 HydrophobicContact CE-CD1 3.25Å; M819-L871 HydrophobicContact CE-CD2 3.92Å; M819-L871 HydrophobicContact CE-CG 4.2Å
820	Q	78.8	Confident	72.2	Confident	46 Å²	46	65.3 Å²	65.3	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-40.5	172.9	-74.1	-179.4	-5.4	0	0	112	W816 N817 L822 V823 K824	W816-Q820 WeakPolarHBondContact O-CG 3.17Å; W816-Q820 PolarHBondContact O-N 2.85Å; N817-Q820 PolarHBondContact O-N 3.24Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.08Å; Q820-V823 PolarHBondContact O-N 2.84Å; Q820-K824 WeakPolarHBondContact O-CG 3.4Å; Q820-K824 PolarHBondContact O-N 2.84Å; Q820-K824 VanDerWaalsContact O-N 3.13Å
821	C	78.8	Confident	70.8	Confident	31 Å²	31	69.6 Å²	69.6	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-39.8	175.1	-70.9	0	0	0	0	112	I791 N817 V818 M819	I791-C821 HydrophobicContact CB-CB 4.38Å; I791-C821 HydrophobicContact CD1-CB 3.95Å; N817-C821 PolarHBondContact O-N 3.33Å; N817-C821 PolarHBondContact O-SG 3.47Å; N817-C821 VanDerWaalsContact O-SG 3.32Å; V818-C821 PolarHBondContact O-N 3.01Å; M819-C821 VanDerWaalsContact C-N 3.33Å; M819-C821 PolarHBondContact O-N 2.65Å
822	L	77	Confident	69.5	Low	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-38.3	177.1	-75.3	174.4	0	0	0	113.2	I791 W793 A796 V818 M819 Q820 Q825	I791-L822 HydrophobicContact CG2-CD2 3.9Å; I791-L822 HydrophobicContact CG2-CG 3.98Å; W793-L822 HydrophobicContact CD2-CD2 4.02Å; W793-L822 HydrophobicContact CE3-CD1 4.34Å; W793-L822 HydrophobicContact CE3-CD2 4.44Å; W793-L822 HydrophobicContact CG-CD2 4.16Å; W793-L822 HydrophobicContact CH2-CB 3.79Å; W793-L822 HydrophobicContact CH2-CD1 4.07Å; W793-L822 HydrophobicContact CH2-CG 4.44Å; W793-L822 HydrophobicContact CZ2-CB 3.48Å; W793-L822 VanDerWaalsContact CZ2-CB 3.48Å; W793-L822 HydrophobicContact CZ2-CD1 4.47Å; W793-L822 HydrophobicContact CZ2-CD2 4.46Å; W793-L822 HydrophobicContact CZ2-CG 4.35Å; W793-L822 HydrophobicContact CZ3-CD1 4.04Å; W793-L822 PolarHBondContact NE1-O 2.88Å; A796-L822 HydrophobicContact CB-CD1 4.05Å; A796-L822 HydrophobicContact CB-CD2 4.05Å; A796-L822 HydrophobicContact CB-CG 4.46Å; V818-L822 HydrophobicContact CG1-CD1 4.26Å; V818-L822 WeakPolarHBondContact O-CG 3.39Å; V818-L822 PolarHBondContact O-N 3.42Å; M819-L822 PolarHBondContact O-N 2.89Å; M819-L822 HydrophobicContact SD-CD1 4.04Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.08Å; L822-Q825 PolarHBondContact O-N 3.27Å
823	V	74	Confident	68.7	Low	28 Å²	28	63.7 Å²	63.7	17%	0.17	33%	0.329	C	S	.	.	H	α-helix	trans	-68.9	-34.9	177.9	168.7	0	0	0	0	112.1	M819 Q820 Q825 C867 F870 L871	M819-V823 WeakPolarHBondContact O-CG2 3.47Å; M819-V823 PolarHBondContact O-N 2.86Å; Q820-V823 PolarHBondContact O-N 2.84Å; V823-Q825 PolarHBondContact O-N 3.21Å; V823-Q825 VanDerWaalsContact O-N 3.15Å; V823-C867 VanDerWaalsContact CG2-SG 3.54Å; V823-F870 HydrophobicContact CB-CD1 4.39Å; V823-F870 HydrophobicContact CG1-CD1 3.75Å; V823-F870 HydrophobicContact CG1-CE1 4Å; V823-F870 HydrophobicContact CG1-CG 4.32Å; V823-F870 HydrophobicContact CG2-CD1 3.9Å; V823-F870 HydrophobicContact CG2-CE1 4.29Å; V823-L871 HydrophobicContact CG2-CD1 3.88Å; V823-L871 HydrophobicContact CG2-CD2 3.72Å; V823-L871 HydrophobicContact CG2-CG 3.71Å
824	K	72.4	Confident	67.8	Low	163 Å²	163	66.4 Å²	66.4	71%	0.709	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.4	174.9	-72.9	173.1	-177.5	174.7	0	113.4	Q820 D826	Q820-K824 WeakPolarHBondContact O-CG 3.4Å; Q820-K824 PolarHBondContact O-N 2.84Å; Q820-K824 VanDerWaalsContact O-N 3.13Å; K824-D826 PolarHBondContact O-N 3.1Å
825	Q	66.7	Low	66.9	Low	53 Å²	53	71.6 Å²	71.6	25%	0.248	36%	0.361	C	S	.	.			trans	-88.7	73	173.8	-66	-179.4	-3.3	0	0	110.1	I791 L822 V823 V827	I791-Q825 PolarHBondContact O-NE2 2.78Å; I791-Q825 PolarHBondContact O-OE1 3.31Å; L822-Q825 PolarHBondContact O-N 3.27Å; V823-Q825 PolarHBondContact O-N 3.21Å; V823-Q825 VanDerWaalsContact O-N 3.15Å; Q825-V827 PolarHBondContact O-N 3.5Å
826	D	54.1	Low	66	Low	129 Å²	129	73.3 Å²	73.3	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-12.7	-173.8	-97.7	-32.7	0	0	0	116.2	K824	K824-D826 PolarHBondContact O-N 3.1Å
827	V	52.1	Low	65.3	Low	136 Å²	136	75.6 Å²	75.6	82%	0.824	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-22.2	-160.1	-171.1	0	0	0	0	114.4	Q825	Q825-V827 PolarHBondContact O-N 3.5Å
828	E	54.1	Low	64.7	Low	98 Å²	98	76.3 Å²	76.3	46%	0.458	38%	0.382	S	S	.	.	S	Bend	trans	-108.2	-11.2	-170	-74.5	-173.9	172.5	0	0	116.5	K830 V831	E828-K830 PolarHBondContact O-N 2.92Å; E828-K830 VanDerWaalsContact O-N 3.14Å; E828-V831 PolarHBondContact O-N 3.23Å
829	F	52.4	Low	64.3	Low	15 Å²	15	77.9 Å²	77.9	7%	0.066	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-62.2	-30.4	-173.6	-159.2	-79	0	0	0	113.6	W793 V831 C832 L871 A874 L875	W793-F829 HydrophobicContact CD2-CD2 4.1Å; W793-F829 HydrophobicContact CD2-CE2 4.49Å; W793-F829 AromaticContact CE2-CD2 3.6Å; W793-F829 HydrophobicContact CE3-CD2 4.23Å; W793-F829 HydrophobicContact CE3-CE2 4.17Å; W793-F829 AromaticContact CH2-CD2 3.56Å; W793-F829 HydrophobicContact CH2-CD2 3.56Å; W793-F829 AromaticContact CH2-CE2 3.32Å; W793-F829 HydrophobicContact CH2-CE2 3.32Å; W793-F829 AromaticContact CZ2-CD2 3.3Å; W793-F829 HydrophobicContact CZ2-CD2 3.3Å; W793-F829 AromaticContact CZ2-CE2 3.62Å; W793-F829 HydrophobicContact CZ2-CE2 3.62Å; W793-F829 AromaticContact CZ3-CD2 3.99Å; W793-F829 HydrophobicContact CZ3-CD2 3.99Å; W793-F829 AromaticContact CZ3-CE2 3.59Å; W793-F829 HydrophobicContact CZ3-CE2 3.59Å; F829-V831 PolarHBondContact O-N 3.35Å; F829-C832 WeakPolarHBondContact O-CB 3.5Å; F829-C832 PolarHBondContact O-N 2.9Å; F829-C832 VanDerWaalsContact O-N 3.15Å; F829-L871 HydrophobicContact CD2-CD2 4.34Å; F829-L871 HydrophobicContact CE2-CD2 3.64Å; F829-L871 HydrophobicContact CZ-CD2 4.34Å; F829-A874 HydrophobicContact CD1-CB 3.24Å; F829-A874 VanDerWaalsContact CE1-C 3.45Å; F829-A874 HydrophobicContact CE1-CB 3.12Å; F829-A874 HydrophobicContact CG-CB 4.02Å; F829-A874 HydrophobicContact CZ-CB 3.81Å; F829-L875 HydrophobicContact CZ-CD2 4.48Å; F829-L875 HydrophobicContact CZ-CG 4.24Å
830	K	50.1	Low	64.1	Low	191 Å²	191	77.9 Å²	77.9	83%	0.83	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.6	-177.9	-72.7	-176.9	179.6	175.6	0	114.2	E828	E828-K830 PolarHBondContact O-N 2.92Å; E828-K830 VanDerWaalsContact O-N 3.14Å
831	V	49.8	Very low	63.9	Low	122 Å²	122	79 Å²	79	74%	0.739	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-104.2	1.9	-177.8	-170.1	0	0	0	0	112.4	E828 F829 V833	E828-V831 PolarHBondContact O-N 3.23Å; F829-V831 PolarHBondContact O-N 3.35Å; V831-V833 PolarHBondContact O-N 3.32Å
832	C	53.8	Low	64	Low	6 Å²	6	79.8 Å²	79.8	4%	0.041	40%	0.4	C	S	.	.			trans	-57.6	114.1	-173.5	-157.8	0	0	0	0	112	F829 Q836 R837	F829-C832 WeakPolarHBondContact O-CB 3.5Å; F829-C832 PolarHBondContact O-N 2.9Å; F829-C832 VanDerWaalsContact O-N 3.15Å; C832-Q836 VanDerWaalsContact SG-CB 3.57Å; C832-Q836 PolarHBondContact SG-OE1 2.84Å; C832-R837 PolarHBondContact O-NE 3.04Å; C832-R837 VanDerWaalsContact O-NE 3.08Å; C832-R837 PolarHBondContact O-NH2 3Å
833	V	60.4	Low	64	Low	81 Å²	81	79.8 Å²	79.8	49%	0.491	40%	0.4	S	S	.	.			trans	-66.4	144.3	-175.8	-176.6	0	0	0	0	109.2	V831 E835 Q836 R837	V831-V833 PolarHBondContact O-N 3.32Å; V833-E835 PolarHBondContact O-N 2.71Å; V833-Q836 WeakPolarHBondContact O-CB 3.3Å; V833-Q836 PolarHBondContact O-N 3.3Å; V833-R837 PolarHBondContact O-N 2.78Å
834	K	62.2	Low	64.1	Low	157 Å²	157	78.5 Å²	78.5	68%	0.683	39%	0.392	S	S	*	.	H	α-helix	trans	-45.6	-41.2	-177.6	-169.7	-179.4	178.3	-177	0	113.5	Q836 R837 D838	K834-Q836 VanDerWaalsContact C-N 3.34Å; K834-Q836 PolarHBondContact O-N 3.42Å; K834-R837 WeakPolarHBondContact O-CB 3.46Å; K834-R837 PolarHBondContact O-N 3.01Å; K834-R837 VanDerWaalsContact O-N 3.16Å; K834-D838 PolarHBondContact O-N 3.45Å
835	E	62.5	Low	64.4	Low	147 Å²	147	73.6 Å²	73.6	69%	0.687	37%	0.373	S	S	*	.	H	α-helix	trans	-60.2	-36.9	178.2	-63.9	179	177.5	0	0	113.8	V833 R837 L839	V833-E835 PolarHBondContact O-N 2.71Å; E835-R837 VanDerWaalsContact C-N 3.31Å; E835-L839 VanDerWaalsContact O-CG 3.28Å; E835-L839 WeakPolarHBondContact O-CG 3.09Å; E835-L839 PolarHBondContact O-N 2.81Å
836	Q	64.3	Low	64.9	Low	37 Å²	37	73.9 Å²	73.9	17%	0.173	38%	0.376	C	S	.	.	H	α-helix	trans	-71.1	-30	178.2	-69.6	173.9	-25.9	0	0	111.8	W793 C832 V833 K834 L839 L840	W793-Q836 PolarHBondContact O-NE2 3.05Å; C832-Q836 VanDerWaalsContact SG-CB 3.57Å; C832-Q836 PolarHBondContact SG-OE1 2.84Å; V833-Q836 WeakPolarHBondContact O-CB 3.3Å; V833-Q836 PolarHBondContact O-N 3.3Å; K834-Q836 VanDerWaalsContact C-N 3.34Å; K834-Q836 PolarHBondContact O-N 3.42Å; Q836-L839 PolarHBondContact O-N 2.65Å; Q836-L840 WeakPolarHBondContact O-CB 3.41Å; Q836-L840 PolarHBondContact O-N 3.25Å; Q836-L840 VanDerWaalsContact O-N 3.1Å
837	R	64.9	Low	65.9	Low	54 Å²	54	67.8 Å²	67.8	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-69.5	-45.3	177.4	-54.6	-177.8	-168	-167.4	-5.1	111.1	C832 V833 K834 E835 L839 L840 E841 L875 T878	C832-R837 PolarHBondContact O-NE 3.04Å; C832-R837 VanDerWaalsContact O-NE 3.08Å; C832-R837 PolarHBondContact O-NH2 3Å; V833-R837 PolarHBondContact O-N 2.78Å; K834-R837 WeakPolarHBondContact O-CB 3.46Å; K834-R837 PolarHBondContact O-N 3.01Å; K834-R837 VanDerWaalsContact O-N 3.16Å; E835-R837 VanDerWaalsContact C-N 3.31Å; R837-L839 PolarHBondContact O-N 3.38Å; R837-L840 PolarHBondContact O-N 2.82Å; R837-E841 PolarHBondContact O-N 2.96Å; R837-L875 HydrophobicContact CB-CD2 3.78Å; R837-L875 HydrophobicContact CG-CD2 3.7Å; R837-T878 PolarHBondContact NH1-OG1 2.9Å; R837-T878 VanDerWaalsContact NH2-CB 3.34Å; R837-T878 PolarHBondContact NH2-OG1 3.5Å
838	D	70.3	Confident	66.9	Low	104 Å²	104	64.5 Å²	64.5	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-60.9	-32.5	177.3	-64.5	-18.7	0	0	0	111.5	K834 P842	K834-D838 PolarHBondContact O-N 3.45Å; D838-P842 WeakPolarHBondContact O-CD 3.33Å
839	L	73.1	Confident	67.9	Low	37 Å²	37	66.1 Å²	66.1	19%	0.194	33%	0.327	C	S	.	.	H	α-helix	trans	-76.6	-27.3	175	-67.1	170.9	0	0	0	113.5	K798 Y801 E835 Q836 R837 P842	K798-L839 HydrophobicContact CB-CD1 4.19Å; K798-L839 HydrophobicContact CG-CD1 4.28Å; Y801-L839 HydrophobicContact CD1-CD2 3.56Å; Y801-L839 HydrophobicContact CD2-CB 4.4Å; Y801-L839 HydrophobicContact CD2-CD2 3.87Å; Y801-L839 WeakPolarHBondContact CD2-O 3.41Å; Y801-L839 HydrophobicContact CE1-CD2 3.69Å; Y801-L839 HydrophobicContact CE2-CD2 3.98Å; Y801-L839 HydrophobicContact CG-CB 4.4Å; Y801-L839 HydrophobicContact CG-CD2 3.62Å; E835-L839 VanDerWaalsContact O-CG 3.28Å; E835-L839 WeakPolarHBondContact O-CG 3.09Å; E835-L839 PolarHBondContact O-N 2.81Å; Q836-L839 PolarHBondContact O-N 2.65Å; R837-L839 PolarHBondContact O-N 3.38Å; L839-P842 WeakPolarHBondContact O-CD 3.36Å
840	L	74.9	Confident	68.8	Low	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-86.1	-29.2	-176	-166.8	67.5	0	0	0	112.8	W793 T797 M819 Q836 R837 P842 V843 L844 L875	W793-L840 HydrophobicContact CZ3-CD2 4.09Å; T797-L840 HydrophobicContact CG2-CD1 4.34Å; M819-L840 HydrophobicContact CE-CD1 4.03Å; M819-L840 HydrophobicContact SD-CD1 4.18Å; Q836-L840 WeakPolarHBondContact O-CB 3.41Å; Q836-L840 PolarHBondContact O-N 3.25Å; Q836-L840 VanDerWaalsContact O-N 3.1Å; R837-L840 PolarHBondContact O-N 2.82Å; L840-P842 VanDerWaalsContact C-CD 3.49Å; L840-V843 HydrophobicContact CD1-CB 4.43Å; L840-V843 HydrophobicContact CD1-CG1 4.49Å; L840-V843 WeakPolarHBondContact O-CB 3.08Å; L840-V843 PolarHBondContact O-N 3.49Å; L840-L844 HydrophobicContact CD2-CD1 3.99Å; L840-L844 HydrophobicContact CD2-CG 4.46Å; L840-L844 HydrophobicContact CG-CD1 3.89Å; L840-L844 HydrophobicContact CG-CG 3.99Å; L840-L844 WeakPolarHBondContact O-CG 3.49Å; L840-L844 PolarHBondContact O-N 3.2Å; L840-L875 HydrophobicContact CD2-CD1 4.46Å
841	E	75.1	Confident	69.6	Low	70 Å²	70	58.7 Å²	58.7	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-53.6	-45.1	-178.7	-168.7	66.7	-161	0	0	113.7	R837 V843 L844 N845 R872	R837-E841 PolarHBondContact O-N 2.96Å; E841-V843 VanDerWaalsContact C-N 3.33Å; E841-V843 PolarHBondContact O-N 3.48Å; E841-L844 PolarHBondContact O-N 3.13Å; E841-N845 PolarHBondContact O-N 2.91Å; E841-N845 PolarHBondContact O-ND2 3.49Å; E841-N845 VanDerWaalsContact O-ND2 3.1Å; E841-R872 IonicContact OE1-CZ 3.5Å; E841-R872 IonicContact OE1-NH1 2.76Å; E841-R872 PolarHBondContact OE1-NH1 2.94Å; E841-R872 IonicContact OE1-NH2 3.71Å; E841-R872 IonicContact OE2-NH1 2.96Å
842	P	79.3	Confident	69.9	Low	47 Å²	47	57.6 Å²	57.6	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-36.4	176.3	-20	33.6	0	0	0	113.2	Y801 L804 D838 L839 L840 I846	Y801-P842 HydrophobicContact CE2-CG 4.23Å; L804-P842 HydrophobicContact CD2-CB 4.06Å; D838-P842 WeakPolarHBondContact O-CD 3.33Å; L839-P842 WeakPolarHBondContact O-CD 3.36Å; L840-P842 VanDerWaalsContact C-CD 3.49Å; P842-I846 WeakPolarHBondContact O-CG1 3.26Å; P842-I846 PolarHBondContact O-N 2.93Å
843	V	77.5	Confident	70	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-47.5	179.2	174.5	0	0	0	0	109.8	L800 L804 M815 L840 E841 I846 L847	L800-V843 HydrophobicContact CB-CG2 4.44Å; L804-V843 HydrophobicContact CD2-CG2 4.03Å; M815-V843 HydrophobicContact CE-CB 4.42Å; M815-V843 HydrophobicContact CE-CG1 3.62Å; L840-V843 HydrophobicContact CD1-CB 4.43Å; L840-V843 HydrophobicContact CD1-CG1 4.49Å; L840-V843 WeakPolarHBondContact O-CB 3.08Å; L840-V843 PolarHBondContact O-N 3.49Å; E841-V843 VanDerWaalsContact C-N 3.33Å; E841-V843 PolarHBondContact O-N 3.48Å; V843-I846 PolarHBondContact O-N 3.01Å; V843-L847 HydrophobicContact CG1-CD1 4.1Å; V843-L847 WeakPolarHBondContact O-CG 3.48Å; V843-L847 PolarHBondContact O-N 3.24Å; V843-L847 VanDerWaalsContact O-N 3.11Å
844	L	76.2	Confident	69.6	Low	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-41	179.7	-66.7	172.1	0	0	0	112.2	M819 L840 E841 I846 L847 E848 L868 L871 L875	M819-L844 HydrophobicContact CE-CD2 4.16Å; L840-L844 HydrophobicContact CD2-CD1 3.99Å; L840-L844 HydrophobicContact CD2-CG 4.46Å; L840-L844 HydrophobicContact CG-CD1 3.89Å; L840-L844 HydrophobicContact CG-CG 3.99Å; L840-L844 WeakPolarHBondContact O-CG 3.49Å; L840-L844 PolarHBondContact O-N 3.2Å; E841-L844 PolarHBondContact O-N 3.13Å; L844-I846 VanDerWaalsContact C-N 3.27Å; L844-I846 PolarHBondContact O-N 3.3Å; L844-L847 PolarHBondContact O-N 3.4Å; L844-E848 WeakPolarHBondContact O-CB 3.49Å; L844-E848 WeakPolarHBondContact O-CG 3.32Å; L844-E848 PolarHBondContact O-N 3.33Å; L844-L868 HydrophobicContact CD2-CD2 3.77Å; L844-L871 HydrophobicContact CD2-CB 4.28Å; L844-L871 HydrophobicContact CD2-CD1 4.05Å; L844-L875 HydrophobicContact CD1-CD1 3.23Å
845	N	78.2	Confident	69	Low	60 Å²	60	62.4 Å²	62.4	32%	0.321	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-37	178.1	-72.7	-28.9	0	0	0	112.3	E841 Q849 R872	E841-N845 PolarHBondContact O-N 2.91Å; E841-N845 PolarHBondContact O-ND2 3.49Å; E841-N845 VanDerWaalsContact O-ND2 3.1Å; N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.44Å; N845-Q849 PolarHBondContact O-N 3.02Å; N845-R872 PolarHBondContact OD1-NH2 3.38Å
846	I	77.5	Confident	68.6	Low	60 Å²	60	66.5 Å²	66.5	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-73.2	-42.1	177.6	-68.5	171.9	0	0	0	111.2	L804 L812 P842 V843 L844 E848 Q849 S850	L804-I846 HydrophobicContact CD1-CD1 3.32Å; L804-I846 HydrophobicContact CD2-CD1 3.75Å; L804-I846 HydrophobicContact CG-CD1 4.06Å; L812-I846 HydrophobicContact CD2-CG2 4Å; P842-I846 WeakPolarHBondContact O-CG1 3.26Å; P842-I846 PolarHBondContact O-N 2.93Å; V843-I846 PolarHBondContact O-N 3.01Å; L844-I846 VanDerWaalsContact C-N 3.27Å; L844-I846 PolarHBondContact O-N 3.3Å; I846-E848 VanDerWaalsContact C-N 3.33Å; I846-E848 PolarHBondContact O-N 3.34Å; I846-Q849 PolarHBondContact O-N 3.38Å; I846-S850 PolarHBondContact O-N 3.1Å; I846-S850 VanDerWaalsContact O-N 3.09Å
847	L	74.8	Confident	68	Low	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-39.7	176.1	-68.6	173.4	0	0	0	111.5	L812 M815 W816 M819 V843 L844 S850 I851 L868	L812-L847 HydrophobicContact CD2-CD2 4.36Å; M815-L847 HydrophobicContact CB-CD2 3.91Å; M815-L847 HydrophobicContact CE-CD2 4.42Å; M815-L847 HydrophobicContact CE-CG 4.37Å; W816-L847 HydrophobicContact CD2-CD2 4.06Å; W816-L847 HydrophobicContact CG-CD2 4.12Å; W816-L847 HydrophobicContact CH2-CB 4.47Å; W816-L847 HydrophobicContact CZ2-CB 3.99Å; W816-L847 HydrophobicContact CZ2-CD2 4.32Å; M819-L847 HydrophobicContact CG-CD1 3.77Å; V843-L847 HydrophobicContact CG1-CD1 4.1Å; V843-L847 WeakPolarHBondContact O-CG 3.48Å; V843-L847 PolarHBondContact O-N 3.24Å; V843-L847 VanDerWaalsContact O-N 3.11Å; L844-L847 PolarHBondContact O-N 3.4Å; L847-S850 WeakPolarHBondContact O-CB 3.45Å; L847-S850 PolarHBondContact O-N 3.2Å; L847-S850 VanDerWaalsContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.39Å; L847-I851 PolarHBondContact O-N 2.92Å; L847-L868 HydrophobicContact CB-CD2 4.35Å
848	E	74.2	Confident	67.8	Low	67 Å²	67	74.9 Å²	74.9	31%	0.313	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174.5	-79.2	175.2	-179.4	0	0	112.7	L844 I846 S850 I851 S852 L868 R872	L844-E848 WeakPolarHBondContact O-CB 3.49Å; L844-E848 WeakPolarHBondContact O-CG 3.32Å; L844-E848 PolarHBondContact O-N 3.33Å; I846-E848 VanDerWaalsContact C-N 3.33Å; I846-E848 PolarHBondContact O-N 3.34Å; E848-S850 PolarHBondContact O-N 3.28Å; E848-I851 PolarHBondContact O-N 3.02Å; E848-S852 PolarHBondContact O-N 2.93Å; E848-L868 HydrophobicContact CG-CD1 3.79Å; E848-L868 HydrophobicContact CG-CD2 3.98Å; E848-L868 HydrophobicContact CG-CG 4.46Å; E848-R872 VanDerWaalsContact CD-NH2 3.29Å; E848-R872 IonicContact OE1-CZ 3.61Å; E848-R872 IonicContact OE1-NE 2.72Å; E848-R872 PolarHBondContact OE1-NE 2.96Å; E848-R872 IonicContact OE1-NH2 3.75Å; E848-R872 PolarHBondContact OE1-NH2 3.16Å; E848-R872 VanDerWaalsContact OE1-NH2 3.15Å; E848-R872 IonicContact OE2-CZ 3.34Å; E848-R872 IonicContact OE2-NE 3.91Å; E848-R872 IonicContact OE2-NH2 3.15Å; E848-R872 PolarHBondContact OE2-NH2 3Å
849	Q	74.3	Confident	67.4	Low	133 Å²	133	76.1 Å²	76.1	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-61.9	-32.5	174.9	-73.1	174.4	17.1	0	0	111.8	N845 I846 I851 S852	N845-Q849 VanDerWaalsContact O-CG 3.29Å; N845-Q849 WeakPolarHBondContact O-CG 3.44Å; N845-Q849 PolarHBondContact O-N 3.02Å; I846-Q849 PolarHBondContact O-N 3.38Å; Q849-I851 VanDerWaalsContact C-N 3.34Å; Q849-I851 PolarHBondContact O-N 3.3Å; Q849-S852 PolarHBondContact O-N 3.1Å; Q849-S852 PolarHBondContact O-OG 2.94Å
850	S	72.5	Confident	66.8	Low	24 Å²	24	80.6 Å²	80.6	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-31.7	178	80.5	0	0	0	0	113.4	W816 I846 L847 E848	W816-S850 PolarHBondContact NE1-OG 3.38Å; I846-S850 PolarHBondContact O-N 3.1Å; I846-S850 VanDerWaalsContact O-N 3.09Å; L847-S850 WeakPolarHBondContact O-CB 3.45Å; L847-S850 PolarHBondContact O-N 3.2Å; L847-S850 VanDerWaalsContact O-N 3.14Å; L847-S850 PolarHBondContact O-OG 3.39Å; E848-S850 PolarHBondContact O-N 3.28Å
851	I	65.2	Low	66.3	Low	26 Å²	26	81 Å²	81	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-73.6	-29.9	178.8	-61.8	-167	0	0	0	112	W816 L847 E848 Q849 K853 I854 K864 L865 L868	W816-I851 HydrophobicContact CH2-CD1 3.74Å; W816-I851 HydrophobicContact CH2-CG1 4.36Å; W816-I851 HydrophobicContact CZ2-CD1 3.64Å; W816-I851 HydrophobicContact CZ2-CG1 3.74Å; L847-I851 PolarHBondContact O-N 2.92Å; E848-I851 PolarHBondContact O-N 3.02Å; Q849-I851 VanDerWaalsContact C-N 3.34Å; Q849-I851 PolarHBondContact O-N 3.3Å; I851-K853 PolarHBondContact O-N 3.36Å; I851-I854 PolarHBondContact O-N 2.95Å; I851-I854 VanDerWaalsContact O-N 3.11Å; I851-K864 HydrophobicContact CD1-CB 4.02Å; I851-L865 HydrophobicContact CD1-CG 4.11Å; I851-L865 HydrophobicContact CG2-CD1 4.09Å; I851-L865 HydrophobicContact CG2-CG 4.07Å; I851-L868 HydrophobicContact CD1-CD1 3.31Å; I851-L868 HydrophobicContact CG1-CD1 4.2Å
852	S	57	Low	65.8	Low	99 Å²	99	80.6 Å²	80.6	69%	0.692	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-1.5	-176.8	69.4	0	0	0	0	115.1	E848 Q849	E848-S852 PolarHBondContact O-N 2.93Å; Q849-S852 PolarHBondContact O-N 3.1Å; Q849-S852 PolarHBondContact O-OG 2.94Å
853	K	55.6	Low	65.3	Low	189 Å²	189	83 Å²	83	82%	0.822	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	0	178.2	-72.3	-178.2	177.5	175.8	0	115.6	I851	I851-K853 PolarHBondContact O-N 3.36Å
854	I	52	Low	65	Low	85 Å²	85	84.2 Å²	84.2	44%	0.436	42%	0.418	S	S	.	.	S	Bend	trans	-118.3	134.9	-170.1	-56.8	172.8	0	0	0	110.7	I851	I851-I854 PolarHBondContact O-N 2.95Å; I851-I854 VanDerWaalsContact O-N 3.11Å
855	S	48.8	Very low	64.6	Low	71 Å²	71	87.1 Å²	87.1	50%	0.497	43%	0.433	S	S	.	.			trans	-64.5	140.2	-176.7	88.5	0	0	0	0	111.4	Q857	S855-Q857 PolarHBondContact O-N 3.09Å
856	R	53.9	Low	64.2	Low	233 Å²	233	90.2 Å²	90.2	88%	0.879	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	16.8	-178.9	-75.1	-178.7	172.7	175.8	-2.9	115.4
857	Q	51.7	Low	63.9	Low	180 Å²	180	87.8 Å²	87.8	84%	0.841	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-6	-176.1	-71.7	-175.4	-20.1	0	0	114.1	S855	S855-Q857 PolarHBondContact O-N 3.09Å
858	D	61.9	Low	63.7	Low	87 Å²	87	88.3 Å²	88.3	47%	0.465	44%	0.437	S	S	.	.			trans	-89.5	129.2	177.9	-78.8	-39.2	0	0	0	111.8	E860 S861 T862	D858-E860 PolarHBondContact O-N 3.1Å; D858-S861 WeakPolarHBondContact O-CA 3.38Å; D858-S861 WeakPolarHBondContact O-CB 3.26Å; D858-S861 PolarHBondContact O-N 3.02Å; D858-S861 PolarHBondContact O-OG 3.46Å; D858-T862 PolarHBondContact O-N 3.21Å; D858-T862 PolarHBondContact O-OG1 2.9Å
859	I	61.3	Low	63.6	Low	130 Å²	130	90.5 Å²	90.5	67%	0.667	45%	0.447	S	S	*	.	H	α-helix	trans	-54.9	-39.4	177	-63.8	168.5	0	0	0	111.1	S861 T862 E863	I859-S861 VanDerWaalsContact C-N 3.29Å; I859-S861 PolarHBondContact O-N 3.1Å; I859-T862 VanDerWaalsContact C-OG1 3.3Å; I859-T862 WeakPolarHBondContact CA-OG1 3.2Å; I859-T862 PolarHBondContact O-N 3.34Å; I859-T862 PolarHBondContact O-OG1 3.11Å; I859-E863 PolarHBondContact O-N 3.41Å; I859-E863 VanDerWaalsContact O-N 3.12Å
860	E	61.6	Low	63.4	Low	131 Å²	131	87.8 Å²	87.8	61%	0.612	43%	0.434	S	S	*	.	H	α-helix	trans	-64.1	-34.1	175.4	-69.6	-174.5	175.1	0	0	112.5	D858 K864	D858-E860 PolarHBondContact O-N 3.1Å; E860-K864 VanDerWaalsContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CB 3.36Å; E860-K864 WeakPolarHBondContact O-CG 3.31Å; E860-K864 PolarHBondContact O-N 3.03Å
861	S	62.7	Low	63.2	Low	8 Å²	8	86.7 Å²	86.7	6%	0.056	43%	0.426	C	S	.	.	H	α-helix	trans	-70.9	-35.6	179.6	76	0	0	0	0	111.4	D858 I859 L865	D858-S861 WeakPolarHBondContact O-CA 3.38Å; D858-S861 WeakPolarHBondContact O-CB 3.26Å; D858-S861 PolarHBondContact O-N 3.02Å; D858-S861 PolarHBondContact O-OG 3.46Å; I859-S861 VanDerWaalsContact C-N 3.29Å; I859-S861 PolarHBondContact O-N 3.1Å; S861-L865 WeakPolarHBondContact O-CB 3.38Å; S861-L865 WeakPolarHBondContact O-CD1 3.48Å; S861-L865 PolarHBondContact O-N 2.99Å
862	T	65.5	Low	63.5	Low	63 Å²	63	87.7 Å²	87.7	39%	0.387	43%	0.428	S	S	.	.	H	α-helix	trans	-66.9	-45	173.5	33.3	0	0	0	0	112.3	D858 I859 K864 L865 E866	D858-T862 PolarHBondContact O-N 3.21Å; D858-T862 PolarHBondContact O-OG1 2.9Å; I859-T862 VanDerWaalsContact C-OG1 3.3Å; I859-T862 WeakPolarHBondContact CA-OG1 3.2Å; I859-T862 PolarHBondContact O-N 3.34Å; I859-T862 PolarHBondContact O-OG1 3.11Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 3.32Å; T862-L865 WeakPolarHBondContact O-CB 3.38Å; T862-L865 PolarHBondContact O-N 2.74Å; T862-E866 WeakPolarHBondContact O-CG 3.29Å; T862-E866 PolarHBondContact O-N 2.95Å
863	E	68.1	Low	63.9	Low	98 Å²	98	89.3 Å²	89.3	46%	0.458	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-39.8	176.2	-70	179.8	174.9	0	0	112.1	I859 E866 C867	I859-E863 PolarHBondContact O-N 3.41Å; I859-E863 VanDerWaalsContact O-N 3.12Å; E863-E866 PolarHBondContact O-N 3.33Å; E863-C867 VanDerWaalsContact O-CB 3.26Å; E863-C867 WeakPolarHBondContact O-CB 3.3Å; E863-C867 PolarHBondContact O-N 3.18Å
864	K	71.3	Confident	64.2	Low	24 Å²	24	81.2 Å²	81.2	10%	0.104	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-39.5	174.8	-75.5	175.8	177.9	175.1	0	111.9	D813 W816 I851 E860 T862 L868	D813-K864 IonicContact OD1-NZ 2.85Å; W816-K864 HydrophobicContact CD2-CB 4.34Å; W816-K864 HydrophobicContact CD2-CD 3.81Å; W816-K864 HydrophobicContact CD2-CG 3.7Å; W816-K864 HydrophobicContact CE3-CB 4.1Å; W816-K864 HydrophobicContact CE3-CD 4.31Å; W816-K864 HydrophobicContact CE3-CG 3.65Å; W816-K864 HydrophobicContact CG-CD 4.06Å; W816-K864 HydrophobicContact CG-CG 4.33Å; W816-K864 HydrophobicContact CH2-CB 3.52Å; W816-K864 HydrophobicContact CH2-CG 3.98Å; W816-K864 VanDerWaalsContact CH2-O 3.23Å; W816-K864 WeakPolarHBondContact CH2-O 3.5Å; W816-K864 HydrophobicContact CZ2-CB 3.84Å; W816-K864 HydrophobicContact CZ2-CD 4.2Å; W816-K864 HydrophobicContact CZ2-CG 4.08Å; W816-K864 HydrophobicContact CZ3-CB 3.68Å; W816-K864 HydrophobicContact CZ3-CG 3.79Å; W816-K864 WeakPolarHBondContact CZ3-O 3.36Å; I851-K864 HydrophobicContact CD1-CB 4.02Å; E860-K864 VanDerWaalsContact O-CB 3.31Å; E860-K864 WeakPolarHBondContact O-CB 3.36Å; E860-K864 WeakPolarHBondContact O-CG 3.31Å; E860-K864 PolarHBondContact O-N 3.03Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 3.32Å; K864-L868 PolarHBondContact O-N 3.49Å; K864-L868 VanDerWaalsContact O-N 3.07Å
865	L	69	Low	64.8	Low	61 Å²	61	78 Å²	78	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-66.8	-44	175.1	-95.8	152	0	0	0	112.6	I851 S861 T862 C867 L868 Q869	I851-L865 HydrophobicContact CD1-CG 4.11Å; I851-L865 HydrophobicContact CG2-CD1 4.09Å; I851-L865 HydrophobicContact CG2-CG 4.07Å; S861-L865 WeakPolarHBondContact O-CB 3.38Å; S861-L865 WeakPolarHBondContact O-CD1 3.48Å; S861-L865 PolarHBondContact O-N 2.99Å; T862-L865 WeakPolarHBondContact O-CB 3.38Å; T862-L865 PolarHBondContact O-N 2.74Å; L865-C867 VanDerWaalsContact C-N 3.35Å; L865-L868 PolarHBondContact O-N 3.41Å; L865-Q869 WeakPolarHBondContact O-CB 3.48Å; L865-Q869 VanDerWaalsContact O-CG 3.32Å; L865-Q869 WeakPolarHBondContact O-CG 3.19Å; L865-Q869 PolarHBondContact O-N 3.29Å
866	E	69.7	Low	65.5	Low	126 Å²	126	82.3 Å²	82.3	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-61.6	-43.7	175.5	-74.1	175.7	-179.4	0	0	111.3	T862 E863 L868 Q869 F870	T862-E866 WeakPolarHBondContact O-CG 3.29Å; T862-E866 PolarHBondContact O-N 2.95Å; E863-E866 PolarHBondContact O-N 3.33Å; E866-L868 PolarHBondContact O-N 3.34Å; E866-Q869 PolarHBondContact O-N 3.26Å; E866-F870 WeakPolarHBondContact O-CB 3.36Å; E866-F870 PolarHBondContact O-N 3.43Å
867	C	70.2	Confident	65.5	Low	9 Å²	9	74.1 Å²	74.1	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-48.1	175	-178.8	0	0	0	0	111.9	W816 V823 E863 L865 F870 L871	W816-C867 HydrophobicContact CZ3-CB 4.26Å; V823-C867 VanDerWaalsContact CG2-SG 3.54Å; E863-C867 VanDerWaalsContact O-CB 3.26Å; E863-C867 WeakPolarHBondContact O-CB 3.3Å; E863-C867 PolarHBondContact O-N 3.18Å; L865-C867 VanDerWaalsContact C-N 3.35Å; C867-F870 PolarHBondContact O-N 3.47Å; C867-L871 WeakPolarHBondContact O-CB 3.42Å; C867-L871 VanDerWaalsContact O-CD1 3.31Å; C867-L871 WeakPolarHBondContact O-CD1 3.48Å; C867-L871 WeakPolarHBondContact O-CG 3.41Å; C867-L871 PolarHBondContact O-N 2.87Å
868	L	71	Confident	65.4	Low	11 Å²	11	66.9 Å²	66.9	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-40.7	177	-82.4	169.1	0	0	0	113.4	W816 L844 L847 E848 I851 K864 L865 E866 L871 R872	W816-L868 HydrophobicContact CH2-CD1 3.49Å; W816-L868 VanDerWaalsContact CH2-CD1 3.49Å; W816-L868 HydrophobicContact CH2-CD2 4.35Å; W816-L868 HydrophobicContact CH2-CG 3.56Å; W816-L868 HydrophobicContact CZ2-CD1 4.01Å; W816-L868 HydrophobicContact CZ2-CG 4.46Å; W816-L868 HydrophobicContact CZ3-CG 4.23Å; L844-L868 HydrophobicContact CD2-CD2 3.77Å; L847-L868 HydrophobicContact CB-CD2 4.35Å; E848-L868 HydrophobicContact CG-CD1 3.79Å; E848-L868 HydrophobicContact CG-CD2 3.98Å; E848-L868 HydrophobicContact CG-CG 4.46Å; I851-L868 HydrophobicContact CD1-CD1 3.31Å; I851-L868 HydrophobicContact CG1-CD1 4.2Å; K864-L868 PolarHBondContact O-N 3.49Å; K864-L868 VanDerWaalsContact O-N 3.07Å; L865-L868 PolarHBondContact O-N 3.41Å; E866-L868 PolarHBondContact O-N 3.34Å; L868-L871 PolarHBondContact O-N 2.58Å; L868-R872 VanDerWaalsContact O-CB 3.32Å; L868-R872 WeakPolarHBondContact O-CB 3.29Å; L868-R872 WeakPolarHBondContact O-CG 3.31Å; L868-R872 PolarHBondContact O-N 3.29Å
869	Q	71.2	Confident	64.7	Low	113 Å²	113	69.6 Å²	69.6	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-47.2	176.7	-77	177.1	-2.3	0	0	110.4	L865 E866 L871 R872 E873	L865-Q869 WeakPolarHBondContact O-CB 3.48Å; L865-Q869 VanDerWaalsContact O-CG 3.32Å; L865-Q869 WeakPolarHBondContact O-CG 3.19Å; L865-Q869 PolarHBondContact O-N 3.29Å; E866-Q869 PolarHBondContact O-N 3.26Å; Q869-L871 PolarHBondContact O-N 3.2Å; Q869-R872 PolarHBondContact O-N 3.39Å; Q869-E873 VanDerWaalsContact O-CB 3.24Å; Q869-E873 WeakPolarHBondContact O-CB 3.17Å; Q869-E873 VanDerWaalsContact O-CG 3.27Å; Q869-E873 WeakPolarHBondContact O-CG 3.37Å; Q869-E873 PolarHBondContact O-N 3.08Å
870	F	70.3	Confident	63.9	Low	76 Å²	76	67.9 Å²	67.9	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-56.5	-48.2	175	177.5	-95.4	0	0	0	112.1	V823 E866 C867 E873 A874	V823-F870 HydrophobicContact CB-CD1 4.39Å; V823-F870 HydrophobicContact CG1-CD1 3.75Å; V823-F870 HydrophobicContact CG1-CE1 4Å; V823-F870 HydrophobicContact CG1-CG 4.32Å; V823-F870 HydrophobicContact CG2-CD1 3.9Å; V823-F870 HydrophobicContact CG2-CE1 4.29Å; E866-F870 WeakPolarHBondContact O-CB 3.36Å; E866-F870 PolarHBondContact O-N 3.43Å; C867-F870 PolarHBondContact O-N 3.47Å; F870-E873 PolarHBondContact O-N 3.45Å; F870-A874 WeakPolarHBondContact O-CB 3.46Å; F870-A874 PolarHBondContact O-N 3.34Å
871	L	68.7	Low	62.9	Low	1 Å²	1	65 Å²	65	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-41.6	-178.4	-70	163.3	0	0	0	112.9	W793 M819 V823 F829 L844 C867 L868 Q869 A874 L875	W793-L871 HydrophobicContact CH2-CD2 3.47Å; W793-L871 VanDerWaalsContact CH2-CD2 3.47Å; W793-L871 HydrophobicContact CZ2-CD2 4.04Å; W793-L871 HydrophobicContact CZ3-CD2 4.48Å; M819-L871 HydrophobicContact CE-CD1 3.25Å; M819-L871 HydrophobicContact CE-CD2 3.92Å; M819-L871 HydrophobicContact CE-CG 4.2Å; V823-L871 HydrophobicContact CG2-CD1 3.88Å; V823-L871 HydrophobicContact CG2-CD2 3.72Å; V823-L871 HydrophobicContact CG2-CG 3.71Å; F829-L871 HydrophobicContact CD2-CD2 4.34Å; F829-L871 HydrophobicContact CE2-CD2 3.64Å; F829-L871 HydrophobicContact CZ-CD2 4.34Å; L844-L871 HydrophobicContact CD2-CB 4.28Å; L844-L871 HydrophobicContact CD2-CD1 4.05Å; C867-L871 WeakPolarHBondContact O-CB 3.42Å; C867-L871 VanDerWaalsContact O-CD1 3.31Å; C867-L871 WeakPolarHBondContact O-CD1 3.48Å; C867-L871 WeakPolarHBondContact O-CG 3.41Å; C867-L871 PolarHBondContact O-N 2.87Å; L868-L871 PolarHBondContact O-N 2.58Å; Q869-L871 PolarHBondContact O-N 3.2Å; L871-A874 PolarHBondContact O-N 3.34Å; L871-L875 WeakPolarHBondContact O-CB 3.26Å; L871-L875 VanDerWaalsContact O-CG 3.28Å; L871-L875 WeakPolarHBondContact O-CG 3.44Å; L871-L875 PolarHBondContact O-N 3.23Å
872	R	71.1	Confident	61.6	Low	47 Å²	47	71.4 Å²	71.4	18%	0.177	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-40.3	175.3	-79.3	-75.2	-158.7	-177.9	-2	111.6	E841 N845 E848 L868 Q869 A874 L875 R876	E841-R872 IonicContact OE1-CZ 3.5Å; E841-R872 IonicContact OE1-NH1 2.76Å; E841-R872 PolarHBondContact OE1-NH1 2.94Å; E841-R872 IonicContact OE1-NH2 3.71Å; E841-R872 IonicContact OE2-NH1 2.96Å; N845-R872 PolarHBondContact OD1-NH2 3.38Å; E848-R872 VanDerWaalsContact CD-NH2 3.29Å; E848-R872 IonicContact OE1-CZ 3.61Å; E848-R872 IonicContact OE1-NE 2.72Å; E848-R872 PolarHBondContact OE1-NE 2.96Å; E848-R872 IonicContact OE1-NH2 3.75Å; E848-R872 PolarHBondContact OE1-NH2 3.16Å; E848-R872 VanDerWaalsContact OE1-NH2 3.15Å; E848-R872 IonicContact OE2-CZ 3.34Å; E848-R872 IonicContact OE2-NE 3.91Å; E848-R872 IonicContact OE2-NH2 3.15Å; E848-R872 PolarHBondContact OE2-NH2 3Å; L868-R872 VanDerWaalsContact O-CB 3.32Å; L868-R872 WeakPolarHBondContact O-CB 3.29Å; L868-R872 WeakPolarHBondContact O-CG 3.31Å; L868-R872 PolarHBondContact O-N 3.29Å; Q869-R872 PolarHBondContact O-N 3.39Å; R872-A874 VanDerWaalsContact C-N 3.33Å; R872-L875 PolarHBondContact O-N 3.34Å; R872-R876 WeakPolarHBondContact O-CB 3.46Å; R872-R876 VanDerWaalsContact O-CG 3.25Å; R872-R876 WeakPolarHBondContact O-CG 3.38Å; R872-R876 PolarHBondContact O-N 3.44Å
873	E	66.7	Low	60	Low	132 Å²	132	76.7 Å²	76.7	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-41.9	174.1	-79.4	-177.1	176.5	0	0	111	Q869 F870 R876 A877	Q869-E873 VanDerWaalsContact O-CB 3.24Å; Q869-E873 WeakPolarHBondContact O-CB 3.17Å; Q869-E873 VanDerWaalsContact O-CG 3.27Å; Q869-E873 WeakPolarHBondContact O-CG 3.37Å; Q869-E873 PolarHBondContact O-N 3.08Å; F870-E873 PolarHBondContact O-N 3.45Å; E873-R876 PolarHBondContact O-N 2.87Å; E873-A877 WeakPolarHBondContact O-CB 3.47Å; E873-A877 PolarHBondContact O-N 3.14Å
874	A	61.8	Low	58.2	Low	20 Å²	20	79.2 Å²	79.2	17%	0.165	41%	0.412	C	S	.	.	H	α-helix	trans	-71.1	-33.1	179.4	0	0	0	0	0	112.3	F829 F870 L871 R872 T878	F829-A874 HydrophobicContact CD1-CB 3.24Å; F829-A874 VanDerWaalsContact CE1-C 3.45Å; F829-A874 HydrophobicContact CE1-CB 3.12Å; F829-A874 HydrophobicContact CG-CB 4.02Å; F829-A874 HydrophobicContact CZ-CB 3.81Å; F870-A874 WeakPolarHBondContact O-CB 3.46Å; F870-A874 PolarHBondContact O-N 3.34Å; L871-A874 PolarHBondContact O-N 3.34Å; R872-A874 VanDerWaalsContact C-N 3.33Å; A874-T878 PolarHBondContact O-OG1 3.2Å
875	L	63.5	Low	56.2	Low	16 Å²	16	83.1 Å²	83.1	8%	0.084	44%	0.44	C	S	.	.	H	α-helix	trans	-64.1	-40	168.6	-77.6	169.1	0	0	0	112.3	F829 R837 L840 L844 L871 R872 T878	F829-L875 HydrophobicContact CZ-CD2 4.48Å; F829-L875 HydrophobicContact CZ-CG 4.24Å; R837-L875 HydrophobicContact CB-CD2 3.78Å; R837-L875 HydrophobicContact CG-CD2 3.7Å; L840-L875 HydrophobicContact CD2-CD1 4.46Å; L844-L875 HydrophobicContact CD1-CD1 3.23Å; L871-L875 WeakPolarHBondContact O-CB 3.26Å; L871-L875 VanDerWaalsContact O-CG 3.28Å; L871-L875 WeakPolarHBondContact O-CG 3.44Å; L871-L875 PolarHBondContact O-N 3.23Å; R872-L875 PolarHBondContact O-N 3.34Å; L875-T878 PolarHBondContact O-OG1 3.37Å
876	R	63.3	Low	54.3	Low	162 Å²	162	86.4 Å²	86.4	61%	0.611	46%	0.457	S	S	*	.	H	α-helix	trans	-79	-37.3	-179.7	-72.3	174.9	-177.3	176.7	3.7	114	R872 E873 T878 E879	R872-R876 WeakPolarHBondContact O-CB 3.46Å; R872-R876 VanDerWaalsContact O-CG 3.25Å; R872-R876 WeakPolarHBondContact O-CG 3.38Å; R872-R876 PolarHBondContact O-N 3.44Å; E873-R876 PolarHBondContact O-N 2.87Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.08Å; R876-E879 PolarHBondContact O-N 2.94Å; R876-E879 VanDerWaalsContact O-N 3.08Å
877	A	54.3	Low	52.5	Low	62 Å²	62	89.8 Å²	89.8	51%	0.512	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.3	-174.4	0	0	0	0	0	113.8	E873 S880	E873-A877 WeakPolarHBondContact O-CB 3.47Å; E873-A877 PolarHBondContact O-N 3.14Å; A877-S880 PolarHBondContact O-OG 2.89Å
878	T	49.6	Very low	50.5	Low	28 Å²	28	95.3 Å²	95.3	17%	0.172	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-8.6	177.4	47.6	0	0	0	0	113.1	R837 A874 L875 R876 S880	R837-T878 PolarHBondContact NH1-OG1 2.9Å; R837-T878 VanDerWaalsContact NH2-CB 3.34Å; R837-T878 PolarHBondContact NH2-OG1 3.5Å; A874-T878 PolarHBondContact O-OG1 3.2Å; L875-T878 PolarHBondContact O-OG1 3.37Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.08Å; T878-S880 VanDerWaalsContact C-N 3.25Å
879	E	48.4	Very low	48.6	Very low	143 Å²	143	99.3 Å²	99.3	67%	0.668	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.6	168.3	-67	-176.1	148.8	0	0	111.5	R876	R876-E879 PolarHBondContact O-N 2.94Å; R876-E879 VanDerWaalsContact O-N 3.08Å
880	S	44.2	Very low	46.6	Very low	95 Å²	95	100.6 Å²	100.6	66%	0.664	55%	0.549	S	S	*	.	S	Bend	trans	-89.9	-8.4	179.6	56.3	0	0	0	0	114.9	A877 T878	A877-S880 PolarHBondContact O-OG 2.89Å; T878-S880 VanDerWaalsContact C-N 3.25Å
881	A	39.4	Very low	44.7	Very low	69 Å²	69	102.2 Å²	102.2	57%	0.57	57%	0.57	S	S	*	*			trans	-89	0.9	-177.6	0	0	0	0	0	114.6	M883	A881-M883 PolarHBondContact O-N 3.34Å
882	N	36.8	Very low	42.7	Very low	144 Å²	144	109.1 Å²	109.1	77%	0.77	61%	0.607	S	S	*	*			trans	-77.4	21.7	-179.2	-78.9	-31	0	0	0	115
883	M	32	Very low	40.7	Very low	173 Å²	173	112.9 Å²	112.9	85%	0.852	64%	0.638	S	S	*	*			trans	-128.8	61.2	-179.7	-73.9	-73.5	-110.4	0	0	111.3	A881	A881-M883 PolarHBondContact O-N 3.34Å
884	L	29.6	Very low	39	Very low	151 Å²	151	112.5 Å²	112.5	79%	0.791	64%	0.644	S	S	*	*			trans	-153.4	113.3	158.3	-102.1	150.7	0	0	0	108.4
885	P	29.6	Very low	37.5	Very low	107 Å²	107	119.6 Å²	119.6	70%	0.695	67%	0.674	S	S	*	*			trans	-73.6	174	163.4	35.3	-30.6	0	0	0	108
886	L	29	Very low	36	Very low	129 Å²	129	126.8 Å²	126.8	68%	0.675	71%	0.711	S	S	*	*			trans	98.7	114.7	176.9	-53.5	155.6	0	0	0	111.5
887	Y	32.7	Very low	34.6	Very low	197 Å²	197	129.9 Å²	129.9	77%	0.773	72%	0.722	S	S	*	*			cis	-148	130.1	18.7	-86.7	-88.4	0	0	0	109.5
888	S	27.9	Very low	33.6	Very low	125 Å²	125	132.3 Å²	132.3	87%	0.874	73%	0.731	S	S	*	*			trans	-78.3	113.7	156.5	53.6	0	0	0	0	108.5
889	S	30.6	Very low	33	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	77%	0.765	S	S	*	*			trans	-145.9	101	161.6	57.7	0	0	0	0	110.2
890	T	28.8	Very low	32.7	Very low	140 Å²	140	140.4 Å²	140.4	86%	0.859	77%	0.771	S	S	*	*			trans	-33	126.6	141.6	48.4	0	0	0	0	112
891	S	29.8	Very low	32.2	Very low	111 Å²	111	141 Å²	141	78%	0.776	78%	0.775	S	S	*	*			trans	179	133.5	138.9	48.5	0	0	0	0	113.1
892	N	28.1	Very low	32.2	Very low	145 Å²	145	150.6 Å²	150.6	78%	0.775	81%	0.808	S	S	*	*			trans	-28	157.2	164.6	-65.3	-31.2	0	0	0	118.2
893	P	27.9	Very low	32	Very low	127 Å²	127	151 Å²	151	83%	0.825	81%	0.81	S	S	*	*			trans	-77.5	128.7	176.6	33.5	-31.3	0	0	0	110.2
894	V	32.6	Very low	32	Very low	123 Å²	123	149.8 Å²	149.8	75%	0.745	81%	0.808	S	S	*	*			trans	-135.8	111.7	163.4	179.4	0	0	0	0	108.6
895	E	29.2	Very low	32.1	Very low	170 Å²	170	149.7 Å²	149.7	79%	0.794	81%	0.809	S	S	*	*			trans	26.5	107.6	148.2	-62.5	179.4	165.1	0	0	118.8
896	I	32.3	Very low	32.3	Very low	167 Å²	167	152.2 Å²	152.2	86%	0.856	82%	0.816	S	S	*	*			trans	-91.8	104.6	155.9	-59.9	177.9	0	0	0	107.2
897	R	33.8	Very low	32.5	Very low	227 Å²	227	153.7 Å²	153.7	86%	0.857	83%	0.825	S	S	*	*			trans	-69.4	125.5	158.3	-82.3	-177.1	176.7	-178	-1.7	108.5
898	T	33.1	Very low	32.5	Very low	113 Å²	113	150.8 Å²	150.8	69%	0.693	83%	0.828	S	S	*	*			trans	-51.7	135.6	163.7	47.7	0	0	0	0	111.5
899	H	36.8	Very low	32.8	Very low	191 Å²	191	152.6 Å²	152.6	88%	0.884	83%	0.825	S	S	*	*			trans	-153.5	118.1	133.2	-103.8	-66.6	0	0	0	109.3
900	D	42.5	Very low	33	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	84%	0.837	S	S	*	*			trans	-60.8	156.7	171	-74.2	-50.1	0	0	0	112.3
901	S	34.4	Very low	33.3	Very low	108 Å²	108	158.5 Å²	158.5	76%	0.755	84%	0.835	S	S	*	*			trans	-28.7	147.2	166.7	52.1	0	0	0	0	118.6
902	Q	39.2	Very low	33.6	Very low	271 Å²	271	162.8 Å²	162.8	100%	1.266	84%	0.841	S	S	*	*			trans	90.2	0	172.9	-65.7	-170.4	-14.9	0	0	116.9

Retrieved 902 of 902 residues in 328.3 ms (Link to these results)

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