A0A087Y3U2_POEFO Loading...

Striatin interacting protein 2

AlphaFold DB , UniProt , Accession A0A087Y3U2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 839 aa.

						>A0A087Y3U2_POEFO|A0A087Y3U2
MQAEDMEVPIINNLNDNGDRQRPKGKDVFKDQQKESESSMESPNLEFEYGDSDMLTAELSELYSYTEEPEFALNRDYFEEDFRSHARGRRWTELTVDEQRTYVMRLLDALEVTDRDKRLKVARAILYLAQGVFDECDTEVDVLHWSRHNIFLLYDMGIFTALLELLSMEIDNSQACSSAVRKPAISLADSTELRVLLSIMYLMVETVRVQTEDDRPEWRAARETFKNELGSPLYNGEPFALLLFTMVTKFCSMNAPHFPMKKVLLLLWKTVLFTLGGFEELQQMKVGARERLSLPPLPEDSIKVVRAMRAASPPASAMELIEQQQQQKRGRRSRRSAFVDSLEGDSPFPKKQPLVKQDSLDTYNERDPFKNDDARDEEDDPEDTDSGIEGEVDPLDRDVIIQPPPPPPPLRPPTERVNFPKGLPWAPKVREKDIEHFLETSRNKFIGFTLGNDTETLVGLPRPIHESVKTLKQHKYVSVSEIQIKREEDLLQCPLSLGEEEVEETPAEILYVGMLPSLSQYVIALLKLLLAAAPTSKAKTDSINILADVLPEEMPITVLQSMKLGIDVNRHKEIIVKAISALLLLLLKHLKLNHIYQFEIVSQHLVFANCIPLILKFFNQNIMSYISAKNSICVLDFPHCVVHEMPELTAESLEAGDNNQFCWRNLFSCINLLRILNKLTKWKHSRTMMLVVFKSAPILKRALKVKQAMMQLYVLKLLKIQTKYLGRQWRKSNMKTMSAIYQKVRHRLNDDWAYGNDIDARPWDFQAEECALRESIEKFNSRRYDKNKNGDFAPVDNCLQSVLGQRVELPEDFHYSYEMWLEREVFSQPIQWEGLLQNP
					

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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	29.8	Very low	28.2	Very low	232 Å²	232	153.5 Å²	153.5	100%	1.143	81%	0.805	S	S	*	*				0	125.4	0	-84	168.9	158.9	0	0	106.6
2	Q	28.5	Very low	28.1	Very low	183 Å²	183	152 Å²	152	86%	0.855	80%	0.798	S	S	*	*			trans	56.4	118.5	169.3	-69.1	154.7	-30.9	0	0	115.8
3	A	24.4	Very low	28.3	Very low	78 Å²	78	151.8 Å²	151.8	65%	0.645	80%	0.799	S	S	*	*				62.7	135.3	56.9	0	0	0	0	0	110.7
4	E	28.6	Very low	28.2	Very low	184 Å²	184	153.1 Å²	153.1	86%	0.86	81%	0.805	S	S	*	*			cis	-151.5	154.2	22	-64.6	164.5	-160.5	0	0	108.3
5	D	26.9	Very low	28.2	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	80%	0.804	S	S	*	*			cis	-161.8	-154.3	-26	-135.5	-86.4	0	0	0	110.1
6	M	27	Very low	28.1	Very low	155 Å²	155	151.3 Å²	151.3	76%	0.764	80%	0.797	S	S	*	*			trans	-126.2	152.3	179.7	-68.8	-175.1	-66.7	0	0	115.8
7	E	24.3	Very low	28	Very low	199 Å²	199	150.8 Å²	150.8	93%	0.93	80%	0.795	S	S	*	*			trans	-131.4	102.3	144.2	-77.1	-163.3	151.2	0	0	112.1
8	V	34.8	Very low	27.8	Very low	117 Å²	117	146.8 Å²	146.8	71%	0.709	80%	0.796	S	S	*	*			trans	-93.2	164.6	139.7	-150.9	0	0	0	0	105.6
9	P	33.1	Very low	27.8	Very low	108 Å²	108	145.8 Å²	145.8	70%	0.701	79%	0.79	S	S	*	*				-163.5	-174.1	93.5	40.7	-18.8	0	0	0	118.1
10	I	25.5	Very low	27.7	Very low	150 Å²	150	148 Å²	148	77%	0.769	79%	0.786	S	S	*	*			trans	82.7	139.1	158	-66.8	-170.4	0	0	0	119.7
11	I	26.8	Very low	27.6	Very low	133 Å²	133	147.4 Å²	147.4	68%	0.682	78%	0.779	S	S	*	*			cis	-164.3	154.4	-40.6	-127.5	170.5	0	0	0	112.3
12	N	27.3	Very low	27.4	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	76%	0.763	S	S	*	*			trans	29.5	132.6	159.5	-58	-12.4	0	0	0	125.3
13	N	30.4	Very low	27.5	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	76%	0.758	S	S	*	*			trans	-15.4	146.9	133.4	-57.7	-29	0	0	0	118
14	L	27.7	Very low	27.7	Very low	170 Å²	170	150 Å²	150	89%	0.89	77%	0.773	S	S	*	*				-173.9	168.1	123.3	-100.3	161.6	0	0	0	114
15	N	27.5	Very low	28.2	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	77%	0.769	S	S	*	*			trans	-67.9	143.9	-164.2	-81.6	-7.2	0	0	0	119
16	D	26.6	Very low	28.3	Very low	128 Å²	128	147 Å²	147	68%	0.684	77%	0.771	S	S	*	*				64	132.5	121.4	-153	41.7	0	0	0	124.7
17	N	26.3	Very low	28.6	Very low	144 Å²	144	146 Å²	146	77%	0.77	77%	0.769	S	S	*	*			trans	50.3	126.9	155.5	-81.6	-44.2	0	0	0	123.1
18	G	25.8	Very low	28.9	Very low	78 Å²	78	141.4 Å²	141.4	80%	0.804	75%	0.754	S	S	*	*			trans	178.9	40.7	174.6	0	0	0	0	0	120.6
19	D	26.2	Very low	28.7	Very low	128 Å²	128	144.1 Å²	144.1	68%	0.684	76%	0.756	S	S	*	*			trans	23	139.7	156.6	-141	9.2	0	0	0	124.6
20	R	26.2	Very low	28.6	Very low	189 Å²	189	147 Å²	147	71%	0.713	76%	0.758	S	S	*	*			trans	85.5	117.4	150.4	-76.9	163.2	-156.3	-152.9	3.6	125.8
21	Q	26.3	Very low	28.8	Very low	136 Å²	136	144.8 Å²	144.8	64%	0.636	75%	0.748	S	S	*	*			trans	76.5	138.9	131.8	-69.7	-177.2	43.7	0	0	118.9
22	R	25.5	Very low	28.9	Very low	216 Å²	216	144.1 Å²	144.1	82%	0.815	74%	0.742	S	S	*	*			cis	-153.2	166.4	12.4	-117.3	169.3	-153.7	-147.5	4.3	111.4
23	P	30.1	Very low	28.9	Very low	116 Å²	116	144.3 Å²	144.3	75%	0.753	74%	0.738	S	S	*	*			trans	-103.5	153.2	-162.3	38.6	-34.5	0	0	0	116.7
24	K	28.9	Very low	28.8	Very low	217 Å²	217	144.6 Å²	144.6	94%	0.943	73%	0.732	S	S	*	*			trans	-147.8	127.6	150.5	-65.3	-179.7	-178.4	173.3	0	105.8
25	G	38.2	Very low	28.7	Very low	75 Å²	75	143.3 Å²	143.3	77%	0.773	72%	0.722	S	S	*	*			cis	118.2	45.3	12.2	0	0	0	0	0	112.1
26	K	30.7	Very low	28.6	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	71%	0.712	S	S	*	*			trans	-156.9	10.6	177.7	-122.8	174.4	-173.5	-175.8	0	120.3
27	D	32.3	Very low	28.7	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	72%	0.717	S	S	*	*	S	Bend	trans	-116.1	0.6	-176.7	-69.7	-62.8	0	0	0	116.8	F29	D27-F29 PolarHBondContact O-N 2.9Å
28	V	31.3	Very low	28.7	Very low	102 Å²	102	140.1 Å²	140.1	62%	0.618	71%	0.713	S	S	*	*	H	α-helix	trans	-79.7	-16	-177.6	-176.9	0	0	0	0	113.6
29	F	29.1	Very low	29	Very low	174 Å²	174	140.9 Å²	140.9	76%	0.763	71%	0.706	S	S	*	*	H	α-helix	trans	-86.2	-9.3	-175.2	-93.8	-83.5	0	0	0	115.5	D27	D27-F29 PolarHBondContact O-N 2.9Å
30	K	31.2	Very low	29.5	Very low	167 Å²	167	141.2 Å²	141.2	73%	0.726	71%	0.706	S	S	*	*	H	α-helix	trans	-91	-34.7	176.6	-88	-176.6	173.1	178.1	0	113.6	K34	K30-K34 PolarHBondContact O-N 3.32Å
31	D	30.4	Very low	30	Very low	105 Å²	105	139.8 Å²	139.8	56%	0.561	71%	0.707	S	S	*	*	H	α-helix	trans	-79.5	-36.2	-178.2	-67.4	-33.5	0	0	0	112.5	Q33 K34 E35	D31-Q33 PolarHBondContact O-N 2.87Å; D31-Q33 VanDerWaalsContact O-N 3.16Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-E35 PolarHBondContact O-N 2.8Å
32	Q	28.2	Very low	30.9	Very low	118 Å²	118	137.1 Å²	137.1	55%	0.551	70%	0.703	S	S	*	*	H	α-helix	trans	-63.4	-22.2	172.6	-71.9	-172.8	-2.9	0	0	113.6	S36	Q32-S36 PolarHBondContact O-N 2.8Å; Q32-S36 PolarHBondContact O-OG 3.14Å
33	Q	27.6	Very low	32.2	Very low	139 Å²	139	130.4 Å²	130.4	65%	0.65	69%	0.688	S	S	*	*	H	α-helix	trans	-83.4	-20.7	174.8	-129.9	173.8	-1.5	0	0	112.9	D31	D31-Q33 PolarHBondContact O-N 2.87Å; D31-Q33 VanDerWaalsContact O-N 3.16Å
34	K	28.6	Very low	33.7	Very low	156 Å²	156	129.3 Å²	129.3	68%	0.678	68%	0.676	S	S	*	*	H	α-helix	trans	-83.2	-39.9	170.4	-87	-176.8	170.9	-178.8	0	112.8	K30 D31 S36 E37 S38	K30-K34 PolarHBondContact O-N 3.32Å; D31-K34 PolarHBondContact O-N 3.42Å; K34-S36 PolarHBondContact O-N 2.92Å; K34-E37 PolarHBondContact O-N 2.72Å; K34-S38 PolarHBondContact O-N 3.05Å; K34-S38 VanDerWaalsContact O-N 3.13Å; K34-S38 PolarHBondContact O-OG 3.18Å
35	E	25.7	Very low	35.7	Very low	143 Å²	143	120.4 Å²	120.4	67%	0.668	64%	0.638	S	S	*	*	H	α-helix	trans	-68.1	-24.1	178.3	-69.8	-172.9	142	0	0	113.1	D31 S38	D31-E35 PolarHBondContact O-N 2.8Å; E35-S38 PolarHBondContact O-OG 3.18Å
36	S	25.8	Very low	37	Very low	85 Å²	85	125.9 Å²	125.9	59%	0.594	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-18	177	46.9	0	0	0	0	114.6	Q32 K34	Q32-S36 PolarHBondContact O-N 2.8Å; Q32-S36 PolarHBondContact O-OG 3.14Å; K34-S36 PolarHBondContact O-N 2.92Å
37	E	27.8	Very low	39.3	Very low	170 Å²	170	117.6 Å²	117.6	79%	0.794	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-23.7	172.5	-70.8	-168.4	153.4	0	0	113.3	K34 S39	K34-E37 PolarHBondContact O-N 2.72Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.68Å
38	S	26.9	Very low	41.6	Very low	98 Å²	98	117.1 Å²	117.1	69%	0.685	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-1.7	-178.6	62	0	0	0	0	115.3	K34 E35	K34-S38 PolarHBondContact O-N 3.05Å; K34-S38 VanDerWaalsContact O-N 3.13Å; K34-S38 PolarHBondContact O-OG 3.18Å; E35-S38 PolarHBondContact O-OG 3.18Å
39	S	31.1	Very low	44.3	Very low	94 Å²	94	112.7 Å²	112.7	66%	0.657	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-15.4	-169.4	-174.5	0	0	0	0	115.9	E37	E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 2.68Å
40	M	37.5	Very low	47.1	Very low	136 Å²	136	105.3 Å²	105.3	67%	0.67	55%	0.546	S	S	*	.	S	Bend	trans	-140.8	27.6	-166	-82	-160.4	169.5	0	0	118.2
41	E	36.5	Very low	49.9	Very low	158 Å²	158	99 Å²	99	74%	0.738	52%	0.52	S	S	*	.			trans	-123.2	92.1	162.9	-69.8	-146	128.1	0	0	113.4
42	S	44.6	Very low	52.8	Low	80 Å²	80	95.5 Å²	95.5	56%	0.559	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-54	132.9	159.4	-29	0	0	0	0	108.9	K706	S42-K706 VanDerWaalsContact O-CD 3.3Å; S42-K706 WeakPolarHBondContact O-CD 3.39Å; S42-K706 WeakPolarHBondContact O-CE 3.25Å; S42-K706 PolarHBondContact O-NZ 2.95Å
43	P	54.7	Low	55.8	Low	76 Å²	76	91.7 Å²	91.7	49%	0.494	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-62.2	162.9	178.8	25.4	-34.2	0	0	0	112
44	N	60.7	Low	58.8	Low	93 Å²	93	91.8 Å²	91.8	50%	0.497	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-70.1	138.8	168.9	-67.8	-52.6	0	0	0	108.8	E46	N44-E46 PolarHBondContact O-N 2.72Å
45	L	69.8	Low	61.7	Low	29 Å²	29	86.8 Å²	86.8	15%	0.152	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-73.4	118.9	177.9	-57.1	175.7	0	0	0	109.6	F47 I626 Q660 F661 L666 V705 K706 Q707	L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 2.99Å; L45-I626 HydrophobicContact CD1-CD1 4Å; L45-Q660 HydrophobicContact CD2-CB 4.28Å; L45-F661 HydrophobicContact CB-CD1 4.17Å; L45-F661 HydrophobicContact CB-CE1 4.21Å; L45-F661 HydrophobicContact CD1-CD1 4.48Å; L45-F661 HydrophobicContact CD2-CD1 3.89Å; L45-F661 HydrophobicContact CG-CD1 4.39Å; L45-L666 HydrophobicContact CD1-CD2 4.26Å; L45-V705 HydrophobicContact CD1-CG1 3.93Å; L45-K706 PolarHBondContact N-O 3.18Å; L45-Q707 HydrophobicContact CD1-CB 4.41Å
46	E	65.4	Low	64.9	Low	190 Å²	190	82.4 Å²	82.4	89%	0.888	45%	0.453	S	S	*	.			trans	-77.2	86.3	173.1	-171.6	156	-149.7	0	0	108.8	N44 F661	N44-E46 PolarHBondContact O-N 2.72Å; E46-F661 WeakPolarHBondContact O-CZ 3.46Å
47	F	80.1	Confident	68.1	Low	22 Å²	22	79.8 Å²	79.8	10%	0.096	44%	0.437	C	S	.	.			trans	-127.9	115.1	-175.7	171	-103.1	0	0	0	110.6	L45 Y49 F661 W663 L666 F667 I670 Q707	L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 2.99Å; F47-Y49 AromaticContact CE1-CD2 3.79Å; F47-Y49 HydrophobicContact CE1-CD2 3.79Å; F47-Y49 HydrophobicContact CE1-CG 4.22Å; F47-Y49 HydrophobicContact CZ-CD2 4.05Å; F47-F661 HydrophobicContact CB-CE1 4.4Å; F47-F661 HydrophobicContact CB-CE2 4.11Å; F47-F661 HydrophobicContact CB-CZ 3.75Å; F47-F661 HydrophobicContact CD2-CD2 4.43Å; F47-F661 AromaticContact CD2-CE2 3.53Å; F47-F661 HydrophobicContact CD2-CE2 3.53Å; F47-F661 AromaticContact CD2-CZ 3.96Å; F47-F661 HydrophobicContact CD2-CZ 3.96Å; F47-F661 HydrophobicContact CE2-CE2 4.38Å; F47-F661 HydrophobicContact CG-CE2 4.22Å; F47-F661 HydrophobicContact CG-CZ 4.33Å; F47-W663 AromaticContact CD2-CD1 3.79Å; F47-W663 HydrophobicContact CD2-CG 4.39Å; F47-W663 AromaticContact CE2-CD1 3.44Å; F47-W663 VanDerWaalsContact CE2-CD1 3.44Å; F47-W663 HydrophobicContact CE2-CD2 4.06Å; F47-W663 AromaticContact CE2-CE2 3.88Å; F47-W663 AromaticContact CE2-CG 3.77Å; F47-W663 HydrophobicContact CE2-CG 3.77Å; F47-W663 AromaticContact CE2-NE1 3.46Å; F47-L666 HydrophobicContact CB-CD2 3.82Å; F47-L666 HydrophobicContact CD1-CD2 3.91Å; F47-L666 HydrophobicContact CD1-CG 4.18Å; F47-L666 HydrophobicContact CD2-CD2 3.69Å; F47-L666 HydrophobicContact CD2-CG 4.24Å; F47-L666 HydrophobicContact CE1-CD2 4.37Å; F47-L666 HydrophobicContact CE1-CG 4.16Å; F47-L666 HydrophobicContact CE2-CB 4.35Å; F47-L666 HydrophobicContact CE2-CD2 4.14Å; F47-L666 HydrophobicContact CE2-CG 4.2Å; F47-L666 HydrophobicContact CG-CD2 3.52Å; F47-L666 HydrophobicContact CG-CG 4.2Å; F47-L666 HydrophobicContact CZ-CD2 4.47Å; F47-L666 HydrophobicContact CZ-CG 4.16Å; F47-F667 HydrophobicContact CZ-CB 4.16Å; F47-I670 HydrophobicContact CD1-CD1 4.13Å; F47-I670 HydrophobicContact CE1-CD1 3.42Å; F47-I670 VanDerWaalsContact CE1-CD1 3.42Å; F47-I670 HydrophobicContact CZ-CD1 4.18Å; F47-Q707 HydrophobicContact CB-CG 4.4Å; F47-Q707 HydrophobicContact CD1-CG 4.16Å
48	E	80.7	Confident	71.3	Confident	124 Å²	124	71.7 Å²	71.7	58%	0.579	40%	0.399	S	S	*	.			trans	-82	117.6	168.6	-177.3	156	-179.5	0	0	110.8	R306	E48-R306 IonicContact OE1-CZ 2.75Å; E48-R306 IonicContact OE1-NH1 2.78Å; E48-R306 PolarHBondContact OE1-NH1 2.89Å; E48-R306 IonicContact OE1-NH2 3.45Å; E48-R306 PolarHBondContact OE1-NH2 3.06Å; E48-R306 IonicContact OE2-NH1 3.71Å
49	Y	87.8	Confident	74.5	Confident	9 Å²	9	67 Å²	67	4%	0.035	37%	0.366	C	S	.	.			trans	-89.6	111.4	171.8	-174.4	-104.7	0	0	0	109.9	F47 F278 R306 F667 I670 N671 R674 M709	F47-Y49 AromaticContact CE1-CD2 3.79Å; F47-Y49 HydrophobicContact CE1-CD2 3.79Å; F47-Y49 HydrophobicContact CE1-CG 4.22Å; F47-Y49 HydrophobicContact CZ-CD2 4.05Å; Y49-F278 HydrophobicContact CD1-CE2 4.43Å; Y49-F278 HydrophobicContact CE1-CD2 4.15Å; Y49-F278 AromaticContact CE1-CE2 3.52Å; Y49-F278 HydrophobicContact CE1-CE2 3.52Å; Y49-F278 HydrophobicContact CE1-CZ 4.42Å; Y49-F278 AromaticContact CZ-CE2 3.73Å; Y49-R306 PolarHBondContact O-NH2 2.92Å; Y49-F667 AromaticContact CD2-CD2 3.94Å; Y49-F667 HydrophobicContact CD2-CD2 3.94Å; Y49-F667 HydrophobicContact CD2-CE2 4.48Å; Y49-F667 AromaticContact CE2-CD2 3.57Å; Y49-F667 HydrophobicContact CE2-CD2 3.57Å; Y49-F667 AromaticContact CE2-CE2 3.89Å; Y49-F667 HydrophobicContact CE2-CE2 3.89Å; Y49-I670 HydrophobicContact CD2-CB 4.39Å; Y49-I670 HydrophobicContact CD2-CD1 4.05Å; Y49-I670 HydrophobicContact CD2-CG2 3.94Å; Y49-I670 HydrophobicContact CE1-CG2 4.35Å; Y49-I670 HydrophobicContact CE2-CB 3.99Å; Y49-I670 HydrophobicContact CE2-CD1 4.5Å; Y49-I670 HydrophobicContact CE2-CG2 3.45Å; Y49-I670 VanDerWaalsContact CE2-CG2 3.45Å; Y49-N671 PolarHBondContact OH-OD1 3.47Å; Y49-R674 VanDerWaalsContact CE1-NH1 3.3Å; Y49-R674 WeakPolarHBondContact OH-CD 3.39Å; Y49-R674 PolarHBondContact OH-NH1 2.99Å; Y49-M709 HydrophobicContact CD1-CE 4.08Å
50	G	88.4	Confident	77.6	Confident	19 Å²	19	62.9 Å²	62.9	20%	0.196	34%	0.338	C	S	.	.			trans	-122.9	-161.6	175.9	0	0	0	0	0	112.8
51	D	90.6	Very high	80.3	Confident	34 Å²	34	56.6 Å²	56.6	18%	0.182	31%	0.306	C	S	.	.	S	Bend	trans	-86.2	-31.7	173.7	-75.9	-75.2	0	0	0	113	W268 L272 F278	D51-W268 VanDerWaalsContact O-CZ2 3.31Å; D51-W268 WeakPolarHBondContact O-CZ2 3.28Å; D51-L272 HydrophobicContact CB-CD1 3.99Å; D51-L272 HydrophobicContact CB-CD2 4.31Å; D51-F278 WeakPolarHBondContact OD1-CD1 3.28Å; D51-F278 WeakPolarHBondContact OD1-CD2 3.28Å; D51-F278 WeakPolarHBondContact OD1-CG 3.32Å; D51-F278 PolarHBondContact OD1-N 3.49Å; D51-F278 WeakPolarHBondContact OD2-CB 3.49Å; D51-F278 PolarHBondContact OD2-N 3.37Å
52	S	90.5	Very high	83.2	Confident	32 Å²	32	49 Å²	49	22%	0.224	27%	0.271	C	S	.	.	S	Bend	trans	-140.7	170	173.1	63.2	0	0	0	0	110.3	R208	S52-R208 PolarHBondContact OG-NH2 2.85Å
53	D	90.7	Very high	85.6	Confident	39 Å²	39	46 Å²	46	21%	0.209	25%	0.248	C	C	.	.			trans	-80.6	-172.4	166.7	-149.4	-22.1	0	0	0	110.6	A57 E58 W663	D53-A57 HydrophobicContact CB-CB 4.27Å; D53-E58 HydrophobicContact CB-CG 4.18Å; D53-E58 VanDerWaalsContact CB-OE1 3.26Å; D53-E58 WeakPolarHBondContact CB-OE1 3.47Å; D53-E58 PolarHBondContact N-OE1 3.46Å; D53-W663 HydrophobicContact CB-CD2 4.04Å; D53-W663 HydrophobicContact CB-CE3 4.02Å; D53-W663 HydrophobicContact CB-CH2 4.05Å; D53-W663 HydrophobicContact CB-CZ2 4.02Å; D53-W663 HydrophobicContact CB-CZ3 4.05Å; D53-W663 WeakPolarHBondContact OD2-CB 3.27Å
54	M	90.2	Very high	87.5	Confident	141 Å²	141	42.5 Å²	42.5	70%	0.695	23%	0.225	S	C	*	.			trans	-62	148.6	173.2	-59	-173.3	111.2	0	0	112	T56 A57 E58	M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 3.26Å; M54-A57 WeakPolarHBondContact O-CB 3.48Å; M54-A57 PolarHBondContact O-N 3.22Å; M54-E58 WeakPolarHBondContact O-CG 3.45Å; M54-E58 PolarHBondContact O-N 2.87Å
55	L	90.9	Very high	89	Confident	51 Å²	51	38.4 Å²	38.4	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-54.7	-45.7	-175.8	-179.1	62.2	0	0	0	112.7	A57 E58 L59 L143 E205	L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.02Å; L55-E58 PolarHBondContact O-N 3.38Å; L55-L59 HydrophobicContact CD1-CD1 4.15Å; L55-L59 HydrophobicContact CD1-CD2 4.33Å; L55-L59 HydrophobicContact CD1-CG 3.96Å; L55-L59 HydrophobicContact CG-CD1 3.96Å; L55-L59 HydrophobicContact CG-CG 4.18Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 2.88Å; L55-L143 HydrophobicContact CD2-CD2 4.41Å; L55-E205 HydrophobicContact CD1-CG 4.08Å
56	T	92.8	Very high	90	Very high	50 Å²	50	38.6 Å²	38.6	31%	0.307	21%	0.205	S	C	.	.	H	α-helix	trans	-58.5	-41.9	177.3	46	0	0	0	0	112.8	M54 L59 S60 L143	M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 3.26Å; T56-L59 PolarHBondContact O-N 3.26Å; T56-S60 VanDerWaalsContact O-CB 3.28Å; T56-S60 WeakPolarHBondContact O-CB 3.41Å; T56-S60 PolarHBondContact O-N 3.38Å; T56-L143 HydrophobicContact CG2-CD1 3.77Å
57	A	92.5	Very high	91.3	Very high	30 Å²	30	29.9 Å²	29.9	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-43.4	175.3	0	0	0	0	0	111.9	D53 M54 L55 L59 S60 E61	D53-A57 HydrophobicContact CB-CB 4.27Å; M54-A57 WeakPolarHBondContact O-CB 3.48Å; M54-A57 PolarHBondContact O-N 3.22Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.02Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 2.93Å; A57-S60 PolarHBondContact O-N 3.27Å; A57-E61 WeakPolarHBondContact O-CG 3.45Å; A57-E61 PolarHBondContact O-N 2.95Å
58	E	94.8	Very high	91.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-28.6	178.3	-63.1	-69.1	164.9	0	0	113.3	D53 M54 L55 Y201 K269 K577	D53-E58 HydrophobicContact CB-CG 4.18Å; D53-E58 VanDerWaalsContact CB-OE1 3.26Å; D53-E58 WeakPolarHBondContact CB-OE1 3.47Å; D53-E58 PolarHBondContact N-OE1 3.46Å; M54-E58 WeakPolarHBondContact O-CG 3.45Å; M54-E58 PolarHBondContact O-N 2.87Å; L55-E58 PolarHBondContact O-N 3.38Å; E58-Y201 WeakPolarHBondContact O-CE1 3.45Å; E58-Y201 PolarHBondContact O-OH 3.34Å; E58-K269 IonicContact OE1-NZ 3.49Å; E58-K269 VanDerWaalsContact OE2-CE 3.31Å; E58-K269 WeakPolarHBondContact OE2-CE 3.3Å; E58-K269 IonicContact OE2-NZ 2.71Å; E58-K269 PolarHBondContact OE2-NZ 2.98Å; E58-K577 VanDerWaalsContact CD-NZ 3.25Å; E58-K577 WeakPolarHBondContact OE1-CE 3.5Å; E58-K577 IonicContact OE1-NZ 2.89Å; E58-K577 PolarHBondContact OE1-NZ 3.38Å; E58-K577 IonicContact OE2-NZ 3.27Å; E58-K577 PolarHBondContact OE2-NZ 2.78Å
59	L	95	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-77.2	-42.3	171.8	-68.4	-178.1	0	0	0	111.8	L55 T56 A57 E61 L62 L143 Y201 L202 F637	L55-L59 HydrophobicContact CD1-CD1 4.15Å; L55-L59 HydrophobicContact CD1-CD2 4.33Å; L55-L59 HydrophobicContact CD1-CG 3.96Å; L55-L59 HydrophobicContact CG-CD1 3.96Å; L55-L59 HydrophobicContact CG-CG 4.18Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.35Å; L55-L59 PolarHBondContact O-N 2.88Å; T56-L59 PolarHBondContact O-N 3.26Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 2.93Å; L59-E61 VanDerWaalsContact C-N 3.28Å; L59-E61 PolarHBondContact O-N 3.09Å; L59-L62 VanDerWaalsContact O-CB 3.26Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 3.22Å; L59-L143 HydrophobicContact CD1-CD2 3.53Å; L59-Y201 HydrophobicContact CD2-CE1 4.47Å; L59-L202 HydrophobicContact CD2-CD2 3.53Å; L59-F637 HydrophobicContact CB-CD1 4.17Å; L59-F637 HydrophobicContact CD1-CE1 4.43Å
60	S	94.6	Very high	92.6	Very high	8 Å²	8	30.8 Å²	30.8	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-40.4	173.6	168.1	0	0	0	0	112	T56 A57 L62 Y63 R570 D636	T56-S60 VanDerWaalsContact O-CB 3.28Å; T56-S60 WeakPolarHBondContact O-CB 3.41Å; T56-S60 PolarHBondContact O-N 3.38Å; A57-S60 PolarHBondContact O-N 3.27Å; S60-L62 PolarHBondContact O-N 2.99Å; S60-Y63 PolarHBondContact O-N 2.84Å; S60-R570 PolarHBondContact O-NH2 3.2Å; S60-R570 PolarHBondContact OG-NH2 2.6Å; S60-D636 WeakPolarHBondContact OG-CB 3.39Å; S60-D636 PolarHBondContact OG-OD1 2.94Å
61	E	95.3	Very high	93	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	-179.9	-75.4	-178.7	-163.8	0	0	114.3	A57 L59 Y63 K261 L265 I574 K577 R664	A57-E61 WeakPolarHBondContact O-CG 3.45Å; A57-E61 PolarHBondContact O-N 2.95Å; L59-E61 VanDerWaalsContact C-N 3.28Å; L59-E61 PolarHBondContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.32Å; E61-Y63 PolarHBondContact O-N 3.16Å; E61-K261 WeakPolarHBondContact O-CD 3.5Å; E61-K261 WeakPolarHBondContact O-CE 3.49Å; E61-K261 PolarHBondContact O-NZ 3.18Å; E61-L265 HydrophobicContact CB-CD1 4.49Å; E61-I574 HydrophobicContact CB-CD1 3.84Å; E61-I574 HydrophobicContact CB-CG1 4.13Å; E61-I574 HydrophobicContact CB-CG2 4.34Å; E61-I574 HydrophobicContact CG-CD1 3.76Å; E61-I574 HydrophobicContact CG-CG1 3.8Å; E61-K577 IonicContact OE1-NZ 3.2Å; E61-K577 PolarHBondContact OE1-NZ 2.96Å; E61-K577 WeakPolarHBondContact OE2-CD 3.37Å; E61-K577 VanDerWaalsContact OE2-CE 3.26Å; E61-K577 WeakPolarHBondContact OE2-CE 3.46Å; E61-K577 IonicContact OE2-NZ 4Å; E61-K577 PolarHBondContact OE2-NZ 3.5Å; E61-R664 WeakPolarHBondContact OE1-CD 3.46Å; E61-R664 WeakPolarHBondContact OE1-CG 3.44Å; E61-R664 IonicContact OE1-NH1 3.43Å
62	L	96.4	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.9	174.3	179.7	65	0	0	0	111.7	L59 S60 Y201 L202 K261 K262	L59-L62 VanDerWaalsContact O-CB 3.26Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 3.22Å; S60-L62 PolarHBondContact O-N 2.99Å; L62-Y201 HydrophobicContact CB-CD1 4.14Å; L62-Y201 HydrophobicContact CB-CE1 4.08Å; L62-Y201 HydrophobicContact CD1-CD1 3.76Å; L62-Y201 HydrophobicContact CD1-CE1 4.4Å; L62-Y201 HydrophobicContact CD1-CG 3.78Å; L62-Y201 HydrophobicContact CD2-CD1 3.81Å; L62-Y201 HydrophobicContact CD2-CE1 4.49Å; L62-Y201 HydrophobicContact CD2-CG 4.49Å; L62-Y201 HydrophobicContact CG-CD1 4.1Å; L62-L202 HydrophobicContact CD2-CD2 4.18Å; L62-L202 HydrophobicContact CD2-CG 4.17Å; L62-K261 WeakPolarHBondContact O-CE 3.26Å; L62-K261 PolarHBondContact O-NZ 2.78Å; L62-K262 HydrophobicContact CD1-CD 4.26Å; L62-K262 HydrophobicContact CD1-CG 3.99Å; L62-K262 PolarHBondContact O-NZ 3.07Å
63	Y	95.9	Very high	93.5	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.063	18%	0.182	C	C	.	.	S	Bend	trans	-93.4	140	-173.9	-58.2	-69.9	0	0	0	111.9	S60 E61 E67 F71 Q130 K261 R570 F637	S60-Y63 PolarHBondContact O-N 2.84Å; E61-Y63 VanDerWaalsContact C-N 3.32Å; E61-Y63 PolarHBondContact O-N 3.16Å; Y63-E67 WeakPolarHBondContact CA-OE2 3.28Å; Y63-F71 HydrophobicContact CD1-CE1 4.29Å; Y63-F71 HydrophobicContact CD1-CZ 4.02Å; Y63-F71 HydrophobicContact CD2-CE1 4.21Å; Y63-F71 AromaticContact CD2-CZ 3.83Å; Y63-F71 HydrophobicContact CD2-CZ 3.83Å; Y63-F71 HydrophobicContact CE1-CE1 4.16Å; Y63-F71 HydrophobicContact CE1-CZ 4.36Å; Y63-F71 HydrophobicContact CE2-CE1 4.04Å; Y63-F71 HydrophobicContact CE2-CZ 4.15Å; Y63-F71 HydrophobicContact CG-CE1 4.32Å; Y63-F71 AromaticContact CG-CZ 3.76Å; Y63-F71 HydrophobicContact CG-CZ 3.76Å; Y63-Q130 PolarHBondContact OH-NE2 3.4Å; Y63-K261 PolarHBondContact O-NZ 2.88Å; Y63-K261 VanDerWaalsContact O-NZ 3.07Å; Y63-R570 PolarHBondContact O-NH1 3.07Å; Y63-F637 HydrophobicContact CD2-CB 3.95Å; Y63-F637 HydrophobicContact CD2-CD1 4.46Å; Y63-F637 HydrophobicContact CD2-CG 4.12Å; Y63-F637 HydrophobicContact CE2-CB 4.38Å; Y63-F637 HydrophobicContact CE2-CD1 4.11Å; Y63-F637 HydrophobicContact CE2-CD2 4.43Å; Y63-F637 HydrophobicContact CE2-CG 4.05Å
64	S	93.7	Very high	93.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	17%	0.172	C	C	.	.			trans	-90.2	147.3	167.3	-54.6	0	0	0	0	107.3	T66 E67 K261 D548 D567	S64-T66 PolarHBondContact O-N 3.09Å; S64-T66 VanDerWaalsContact O-N 3.11Å; S64-E67 PolarHBondContact N-OE2 3.32Å; S64-E67 WeakPolarHBondContact O-CB 3.08Å; S64-E67 PolarHBondContact O-N 3.47Å; S64-K261 PolarHBondContact OG-NZ 2.97Å; S64-D548 PolarHBondContact OG-O 2.82Å; S64-D548 VanDerWaalsContact OG-O 3.09Å; S64-D567 WeakPolarHBondContact CA-OD2 3.2Å; S64-D567 WeakPolarHBondContact CB-OD2 3.47Å
65	Y	92.3	Very high	94.1	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.027	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-10.5	-179.5	-59.2	-42.2	0	0	0	113.6	K563 I566 D567 R570 S631 I632 L635 D636	Y65-K563 WeakPolarHBondContact O-CE 3.42Å; Y65-K563 PolarHBondContact O-NZ 3.47Å; Y65-I566 HydrophobicContact CE2-CG2 4.47Å; Y65-D567 HydrophobicContact CD2-CB 3.87Å; Y65-D567 HydrophobicContact CG-CB 4.49Å; Y65-D567 PolarHBondContact N-OD2 3.46Å; Y65-R570 WeakPolarHBondContact OH-CD 3.49Å; Y65-R570 PolarHBondContact OH-NE 3.37Å; Y65-R570 VanDerWaalsContact OH-NE 3.12Å; Y65-S631 WeakPolarHBondContact OH-CA 3.35Å; Y65-I632 HydrophobicContact CD2-CD1 3.91Å; Y65-I632 HydrophobicContact CD2-CG1 4.49Å; Y65-I632 HydrophobicContact CE2-CB 4.03Å; Y65-I632 HydrophobicContact CE2-CD1 3.89Å; Y65-I632 HydrophobicContact CE2-CG1 3.98Å; Y65-I632 PolarHBondContact OH-N 2.87Å; Y65-L635 HydrophobicContact CD1-CB 3.5Å; Y65-L635 HydrophobicContact CD1-CD1 4.22Å; Y65-L635 HydrophobicContact CD2-CD1 4.41Å; Y65-L635 HydrophobicContact CE1-CB 3.64Å; Y65-L635 HydrophobicContact CG-CB 4.17Å; Y65-L635 HydrophobicContact CG-CD1 4.03Å; Y65-D636 VanDerWaalsContact CE1-OD1 3.28Å; Y65-D636 WeakPolarHBondContact CE1-OD1 3.39Å; Y65-D636 PolarHBondContact OH-OD1 2.91Å
66	T	90.7	Very high	94.3	Very high	34 Å²	34	28 Å²	28	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.3	167.9	-34.2	0	0	0	0	113.2	S64 L187 V549 P551	S64-T66 PolarHBondContact O-N 3.09Å; S64-T66 VanDerWaalsContact O-N 3.11Å; T66-L187 HydrophobicContact CG2-CD2 3.37Å; T66-V549 WeakPolarHBondContact CB-O 3.43Å; T66-V549 PolarHBondContact OG1-O 3.14Å; T66-P551 HydrophobicContact CG2-CB 3.77Å; T66-P551 HydrophobicContact CG2-CG 4.39Å
67	E	92.5	Very high	94.5	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.033	15%	0.154	C	C	.	.	S	Bend	trans	-86.7	-2.1	179.1	-61.5	178.8	113.1	0	0	113.2	Y63 S64 E70 R194 K262	Y63-E67 WeakPolarHBondContact CA-OE2 3.28Å; S64-E67 PolarHBondContact N-OE2 3.32Å; S64-E67 WeakPolarHBondContact O-CB 3.08Å; S64-E67 PolarHBondContact O-N 3.47Å; E67-E70 VanDerWaalsContact O-CB 3.24Å; E67-E70 WeakPolarHBondContact O-CB 3.28Å; E67-E70 PolarHBondContact O-N 2.95Å; E67-R194 WeakPolarHBondContact OE1-CD 3.36Å; E67-R194 IonicContact OE1-CZ 3.66Å; E67-R194 IonicContact OE1-NE 3.78Å; E67-R194 IonicContact OE1-NH1 2.81Å; E67-R194 PolarHBondContact OE1-NH1 2.75Å; E67-K262 IonicContact OE1-NZ 2.61Å; E67-K262 PolarHBondContact OE1-NZ 3.22Å; E67-K262 IonicContact OE2-NZ 2.7Å; E67-K262 PolarHBondContact OE2-NZ 3.18Å
68	E	91.1	Very high	94.6	Very high	68 Å²	68	27.3 Å²	27.3	32%	0.318	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-44.2	-176.2	168.8	-83.5	128.9	0	0	114.5	E70 F71 M645	E68-E70 PolarHBondContact O-N 3Å; E68-F71 VanDerWaalsContact O-CD2 3.25Å; E68-F71 WeakPolarHBondContact O-CD2 3.08Å; E68-F71 PolarHBondContact O-N 3.15Å; E68-F71 VanDerWaalsContact O-N 3.07Å; E68-M645 HydrophobicContact CG-SD 4.29Å
69	P	91.7	Very high	94.6	Very high	79 Å²	79	29.6 Å²	29.6	51%	0.513	15%	0.154	S	C	.	.	H	α-helix	trans	-61.7	-17.2	176.3	-24.9	35.8	0	0	0	114.3	F71 L73	P69-F71 VanDerWaalsContact C-N 3.33Å; P69-L73 PolarHBondContact O-N 3.49Å
70	E	94.2	Very high	94.4	Very high	27 Å²	27	35.2 Å²	35.2	13%	0.126	18%	0.18	C	C	.	.	H	α-helix	trans	-75.5	-19.7	178	-58.5	-163.9	-147	0	0	113.3	E67 E68 L73 N74 R123 R194	E67-E70 VanDerWaalsContact O-CB 3.24Å; E67-E70 WeakPolarHBondContact O-CB 3.28Å; E67-E70 PolarHBondContact O-N 2.95Å; E68-E70 PolarHBondContact O-N 3Å; E70-L73 PolarHBondContact O-N 3.48Å; E70-N74 WeakPolarHBondContact O-CB 3.48Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.42Å; E70-N74 PolarHBondContact O-OD1 3.16Å; E70-R123 IonicContact OE2-CZ 2.65Å; E70-R123 VanDerWaalsContact OE2-CZ 3.24Å; E70-R123 IonicContact OE2-NH1 2.89Å; E70-R123 PolarHBondContact OE2-NH1 3.4Å; E70-R123 IonicContact OE2-NH2 3.41Å; E70-R123 PolarHBondContact OE2-NH2 3.49Å; E70-R194 IonicContact OE1-CZ 2.75Å; E70-R194 IonicContact OE1-NH1 2.72Å; E70-R194 PolarHBondContact OE1-NH1 3.43Å; E70-R194 IonicContact OE1-NH2 3.99Å; E70-R194 PolarHBondContact OE1-NH2 3.2Å; E70-R194 IonicContact OE2-NH1 3.24Å; E70-R194 IonicContact OE2-NH2 3.51Å
71	F	95.7	Very high	94.2	Very high	15 Å²	15	37 Å²	37	7%	0.066	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-51.8	173.7	-67.8	-66.2	0	0	0	110.6	Y63 E68 P69 L73 N74 R75 Q130 F133 F637 V641	Y63-F71 HydrophobicContact CD1-CE1 4.29Å; Y63-F71 HydrophobicContact CD1-CZ 4.02Å; Y63-F71 HydrophobicContact CD2-CE1 4.21Å; Y63-F71 AromaticContact CD2-CZ 3.83Å; Y63-F71 HydrophobicContact CD2-CZ 3.83Å; Y63-F71 HydrophobicContact CE1-CE1 4.16Å; Y63-F71 HydrophobicContact CE1-CZ 4.36Å; Y63-F71 HydrophobicContact CE2-CE1 4.04Å; Y63-F71 HydrophobicContact CE2-CZ 4.15Å; Y63-F71 HydrophobicContact CG-CE1 4.32Å; Y63-F71 AromaticContact CG-CZ 3.76Å; Y63-F71 HydrophobicContact CG-CZ 3.76Å; E68-F71 VanDerWaalsContact O-CD2 3.25Å; E68-F71 WeakPolarHBondContact O-CD2 3.08Å; E68-F71 PolarHBondContact O-N 3.15Å; E68-F71 VanDerWaalsContact O-N 3.07Å; P69-F71 VanDerWaalsContact C-N 3.33Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 2.9Å; F71-N74 PolarHBondContact O-N 3.14Å; F71-R75 PolarHBondContact O-N 2.69Å; F71-R75 VanDerWaalsContact O-N 3.13Å; F71-Q130 VanDerWaalsContact CD1-NE2 3.33Å; F71-F133 HydrophobicContact CB-CE1 4.35Å; F71-F133 HydrophobicContact CB-CZ 3.87Å; F71-F133 HydrophobicContact CD1-CE1 4.27Å; F71-F637 HydrophobicContact CD1-CD2 4.28Å; F71-F637 HydrophobicContact CD1-CE2 4.43Å; F71-F637 AromaticContact CE1-CD2 3.46Å; F71-F637 HydrophobicContact CE1-CD2 3.46Å; F71-F637 VanDerWaalsContact CE1-CD2 3.46Å; F71-F637 AromaticContact CE1-CE2 3.88Å; F71-F637 HydrophobicContact CE1-CE2 3.88Å; F71-F637 HydrophobicContact CE1-CG 4.3Å; F71-F637 HydrophobicContact CZ-CB 4.17Å; F71-F637 AromaticContact CZ-CD2 3.7Å; F71-F637 HydrophobicContact CZ-CD2 3.7Å; F71-F637 HydrophobicContact CZ-CG 4.24Å; F71-V641 HydrophobicContact CB-CG1 3.92Å; F71-V641 HydrophobicContact CD1-CG1 3.91Å; F71-V641 HydrophobicContact CD2-CG1 3.88Å; F71-V641 HydrophobicContact CE1-CG1 4.38Å; F71-V641 HydrophobicContact CE2-CG1 4.38Å; F71-V641 HydrophobicContact CG-CG1 3.66Å
72	A	95.3	Very high	94	Very high	41 Å²	41	37.4 Å²	37.4	34%	0.339	19%	0.191	S	C	.	.	H	α-helix	trans	-59.3	-43.3	175.6	0	0	0	0	0	111.6	N74 R75 D76	A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 2.99Å; A72-R75 WeakPolarHBondContact O-CB 3.42Å; A72-R75 PolarHBondContact O-N 3.41Å; A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.81Å
73	L	96.3	Very high	93.5	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-36.8	177.3	-173.6	63.4	0	0	0	113.1	P69 E70 F71 Y77	P69-L73 PolarHBondContact O-N 3.49Å; E70-L73 PolarHBondContact O-N 3.48Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 2.9Å; L73-Y77 HydrophobicContact CD1-CD2 4.17Å; L73-Y77 HydrophobicContact CD1-CE2 3.52Å; L73-Y77 HydrophobicContact CD2-CE2 4.16Å; L73-Y77 HydrophobicContact CG-CD2 4.07Å; L73-Y77 HydrophobicContact CG-CE2 3.62Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.48Å; L73-Y77 PolarHBondContact O-N 3.37Å
74	N	97.4	Very high	92.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-43.9	176.5	-64.9	-17.9	0	0	0	111.5	E70 F71 A72 F78 R123 L126 Q130	E70-N74 WeakPolarHBondContact O-CB 3.48Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.42Å; E70-N74 PolarHBondContact O-OD1 3.16Å; F71-N74 PolarHBondContact O-N 3.14Å; A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 2.99Å; N74-F78 PolarHBondContact O-N 3.38Å; N74-F78 VanDerWaalsContact O-N 3.08Å; N74-R123 WeakPolarHBondContact OD1-CB 3.38Å; N74-R123 VanDerWaalsContact OD1-CG 3.29Å; N74-R123 WeakPolarHBondContact OD1-CG 3.4Å; N74-R123 PolarHBondContact OD1-NH1 3.09Å; N74-L126 WeakPolarHBondContact ND2-CD2 3.32Å; N74-Q130 PolarHBondContact ND2-OE1 2.85Å; N74-Q130 VanDerWaalsContact ND2-OE1 3.12Å
75	R	96.4	Very high	92.1	Very high	61 Å²	61	51.2 Å²	51.2	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-50.3	173.6	179.4	-159.7	62.7	-161.2	-5.2	110.8	F71 A72 Y77 F78 E79 Y127 F133 D134	F71-R75 PolarHBondContact O-N 2.69Å; F71-R75 VanDerWaalsContact O-N 3.13Å; A72-R75 WeakPolarHBondContact O-CB 3.42Å; A72-R75 PolarHBondContact O-N 3.41Å; R75-Y77 VanDerWaalsContact C-N 3.3Å; R75-Y77 PolarHBondContact O-N 3.34Å; R75-F78 CarbonylContact O-C 3.58Å; R75-F78 WeakPolarHBondContact O-CA 3.29Å; R75-F78 WeakPolarHBondContact O-CB 3.35Å; R75-F78 PolarHBondContact O-N 3.46Å; R75-E79 WeakPolarHBondContact CD-OE1 3.46Å; R75-E79 HydrophobicContact CG-CG 4.36Å; R75-E79 WeakPolarHBondContact CG-OE1 3.39Å; R75-E79 IonicContact NE-OE1 3.49Å; R75-E79 PolarHBondContact O-N 3.41Å; R75-Y127 HydrophobicContact CB-CD2 3.82Å; R75-Y127 HydrophobicContact CB-CE2 3.61Å; R75-Y127 HydrophobicContact CB-CG 4.4Å; R75-Y127 HydrophobicContact CG-CD2 4.5Å; R75-Y127 HydrophobicContact CG-CE1 4.26Å; R75-Y127 HydrophobicContact CG-CE2 3.88Å; R75-F133 HydrophobicContact CB-CZ 4.47Å; R75-D134 WeakPolarHBondContact CD-OD1 3.31Å; R75-D134 HydrophobicContact CG-CB 4.27Å; R75-D134 IonicContact CZ-OD1 3.87Å; R75-D134 IonicContact NE-OD1 2.86Å; R75-D134 IonicContact NH1-OD1 3.83Å; R75-D134 PolarHBondContact NH1-OD1 3.12Å
76	D	96.3	Very high	91.3	Very high	77 Å²	77	51 Å²	51	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-38.9	-174.9	-67.6	-2.3	0	0	0	111.7	A72 E80	A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.81Å; D76-E80 WeakPolarHBondContact O-CB 3.23Å; D76-E80 PolarHBondContact O-N 2.96Å
77	Y	95.7	Very high	90.7	Very high	64 Å²	64	60.8 Å²	60.8	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-71.7	-34.7	173.2	-70.9	-41.5	0	0	0	114	L73 R75 D81 K120 R123	L73-Y77 HydrophobicContact CD1-CD2 4.17Å; L73-Y77 HydrophobicContact CD1-CE2 3.52Å; L73-Y77 HydrophobicContact CD2-CE2 4.16Å; L73-Y77 HydrophobicContact CG-CD2 4.07Å; L73-Y77 HydrophobicContact CG-CE2 3.62Å; L73-Y77 VanDerWaalsContact O-CD2 3.25Å; L73-Y77 WeakPolarHBondContact O-CD2 3.48Å; L73-Y77 PolarHBondContact O-N 3.37Å; R75-Y77 VanDerWaalsContact C-N 3.3Å; R75-Y77 PolarHBondContact O-N 3.34Å; Y77-D81 PolarHBondContact O-N 3.19Å; Y77-K120 HydrophobicContact CD1-CB 4.35Å; Y77-K120 HydrophobicContact CD1-CD 3.87Å; Y77-K120 HydrophobicContact CD1-CG 3.81Å; Y77-K120 HydrophobicContact CD2-CG 4.29Å; Y77-K120 HydrophobicContact CE1-CD 3.8Å; Y77-K120 HydrophobicContact CE1-CG 3.74Å; Y77-K120 HydrophobicContact CE2-CG 4.17Å; Y77-K120 HydrophobicContact CG-CB 4.28Å; Y77-K120 HydrophobicContact CG-CG 4.11Å; Y77-R123 HydrophobicContact CD2-CB 3.95Å; Y77-R123 HydrophobicContact CD2-CG 4.39Å
78	F	96.2	Very high	90.1	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-48.1	170.6	169.3	-92.4	0	0	0	110.8	N74 R75 E80 D81 F82 W91 Y102 A124 Y127 L128	N74-F78 PolarHBondContact O-N 3.38Å; N74-F78 VanDerWaalsContact O-N 3.08Å; R75-F78 CarbonylContact O-C 3.58Å; R75-F78 WeakPolarHBondContact O-CA 3.29Å; R75-F78 WeakPolarHBondContact O-CB 3.35Å; R75-F78 PolarHBondContact O-N 3.46Å; F78-E80 PolarHBondContact O-N 2.99Å; F78-D81 PolarHBondContact O-N 3.2Å; F78-F82 HydrophobicContact CD1-CB 4.2Å; F78-F82 HydrophobicContact CE1-CB 3.88Å; F78-F82 AromaticContact CE1-CD1 3.7Å; F78-F82 HydrophobicContact CE1-CD1 3.7Å; F78-F82 HydrophobicContact CE1-CD2 4.44Å; F78-F82 HydrophobicContact CE1-CE1 4.3Å; F78-F82 AromaticContact CE1-CG 3.77Å; F78-F82 HydrophobicContact CE1-CG 3.77Å; F78-F82 HydrophobicContact CE2-CB 4.28Å; F78-F82 HydrophobicContact CE2-CD2 4.22Å; F78-F82 HydrophobicContact CE2-CG 4.24Å; F78-F82 HydrophobicContact CZ-CB 3.92Å; F78-F82 AromaticContact CZ-CD1 3.8Å; F78-F82 HydrophobicContact CZ-CD1 3.8Å; F78-F82 AromaticContact CZ-CD2 3.78Å; F78-F82 HydrophobicContact CZ-CD2 3.78Å; F78-F82 HydrophobicContact CZ-CE1 4.2Å; F78-F82 HydrophobicContact CZ-CE2 4.18Å; F78-F82 AromaticContact CZ-CG 3.57Å; F78-F82 HydrophobicContact CZ-CG 3.57Å; F78-F82 HydrophobicContact CZ-CZ 4.36Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 3.02Å; F78-W91 HydrophobicContact CE2-CE3 4.46Å; F78-W91 HydrophobicContact CZ-CB 4.27Å; F78-W91 HydrophobicContact CZ-CE3 4.23Å; F78-Y102 HydrophobicContact CD2-CE1 4.07Å; F78-Y102 HydrophobicContact CE2-CD1 4.43Å; F78-Y102 AromaticContact CE2-CE1 3.56Å; F78-Y102 HydrophobicContact CE2-CE1 3.56Å; F78-Y102 HydrophobicContact CZ-CE1 4.43Å; F78-A124 HydrophobicContact CB-CB 3.98Å; F78-A124 HydrophobicContact CD2-CB 4.46Å; F78-Y127 HydrophobicContact CB-CD1 3.48Å; F78-Y127 VanDerWaalsContact CB-CD1 3.48Å; F78-Y127 HydrophobicContact CB-CE1 4.21Å; F78-Y127 HydrophobicContact CB-CG 4.13Å; F78-Y127 AromaticContact CD1-CD1 3.56Å; F78-Y127 HydrophobicContact CD1-CD1 3.56Å; F78-Y127 AromaticContact CD1-CE1 3.5Å; F78-Y127 HydrophobicContact CD1-CE1 3.5Å; F78-Y127 VanDerWaalsContact CD1-CE1 3.5Å; F78-Y127 AromaticContact CD2-CD1 3.97Å; F78-Y127 HydrophobicContact CD2-CD1 3.97Å; F78-Y127 HydrophobicContact CE1-CD1 4.26Å; F78-Y127 AromaticContact CE1-CE1 3.97Å; F78-Y127 HydrophobicContact CE1-CE1 3.97Å; F78-Y127 AromaticContact CG-CD1 3.39Å; F78-Y127 HydrophobicContact CG-CD1 3.39Å; F78-Y127 AromaticContact CG-CE1 3.88Å; F78-Y127 HydrophobicContact CG-CE1 3.88Å; F78-Y127 HydrophobicContact CG-CG 4.45Å; F78-L128 HydrophobicContact CD2-CD2 4.2Å; F78-L128 HydrophobicContact CD2-CG 4.04Å; F78-L128 HydrophobicContact CE2-CD1 4.25Å; F78-L128 HydrophobicContact CE2-CD2 3.52Å; F78-L128 HydrophobicContact CE2-CG 3.81Å; F78-L128 HydrophobicContact CZ-CD2 4.14Å
79	E	93.6	Very high	90	Very high	47 Å²	47	65.9 Å²	65.9	22%	0.22	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-41.3	179.4	-77.4	-169.3	-124.8	0	0	112.9	R75 D81 F82 R83	R75-E79 WeakPolarHBondContact CD-OE1 3.46Å; R75-E79 HydrophobicContact CG-CG 4.36Å; R75-E79 WeakPolarHBondContact CG-OE1 3.39Å; R75-E79 IonicContact NE-OE1 3.49Å; R75-E79 PolarHBondContact O-N 3.41Å; E79-D81 VanDerWaalsContact C-N 3.3Å; E79-D81 PolarHBondContact O-N 3.29Å; E79-F82 PolarHBondContact O-N 3.06Å; E79-R83 VanDerWaalsContact O-CB 3.28Å; E79-R83 WeakPolarHBondContact O-CB 3.44Å; E79-R83 VanDerWaalsContact O-CD 3.28Å; E79-R83 WeakPolarHBondContact O-CD 3.5Å; E79-R83 WeakPolarHBondContact O-CG 3.47Å; E79-R83 PolarHBondContact O-N 3.26Å; E79-R83 IonicContact OE2-CZ 3.09Å; E79-R83 IonicContact OE2-NE 2.75Å; E79-R83 PolarHBondContact OE2-NE 3.31Å; E79-R83 IonicContact OE2-NH2 2.69Å; E79-R83 PolarHBondContact OE2-NH2 2.77Å
80	E	91.2	Very high	90	Very high	119 Å²	119	68 Å²	68	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-54.4	-46.3	177.7	-170.1	-177.9	-171	0	0	111	D76 F78 K120	D76-E80 WeakPolarHBondContact O-CB 3.23Å; D76-E80 PolarHBondContact O-N 2.96Å; F78-E80 PolarHBondContact O-N 2.99Å; E80-K120 IonicContact OE1-NZ 3.41Å; E80-K120 IonicContact OE2-NZ 2.77Å; E80-K120 PolarHBondContact OE2-NZ 3.11Å
81	D	89.8	Confident	90.1	Very high	46 Å²	46	66.7 Å²	66.7	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-78.5	-46.9	177.8	-164.1	75.7	0	0	0	112.6	Y77 F78 E79 R83 S84 Y102 R105	Y77-D81 PolarHBondContact O-N 3.19Å; F78-D81 PolarHBondContact O-N 3.2Å; E79-D81 VanDerWaalsContact C-N 3.3Å; E79-D81 PolarHBondContact O-N 3.29Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 2.75Å; D81-S84 WeakPolarHBondContact O-CB 3.16Å; D81-S84 PolarHBondContact O-N 3.24Å; D81-S84 VanDerWaalsContact O-N 3.09Å; D81-S84 PolarHBondContact O-OG 3.4Å; D81-Y102 WeakPolarHBondContact OD2-CE2 3.11Å; D81-Y102 PolarHBondContact OD2-OH 3.36Å; D81-R105 IonicContact OD1-CZ 2.68Å; D81-R105 IonicContact OD1-NE 3.59Å; D81-R105 IonicContact OD1-NH2 3.81Å; D81-R105 PolarHBondContact OD1-NH2 3.34Å; D81-R105 IonicContact OD2-CZ 3.19Å; D81-R105 VanDerWaalsContact OD2-CZ 3.27Å; D81-R105 IonicContact OD2-NE 3.27Å; D81-R105 PolarHBondContact OD2-NE 3.23Å; D81-R105 IonicContact OD2-NH2 3.2Å; D81-R105 PolarHBondContact OD2-NH2 3.08Å; D81-R105 VanDerWaalsContact OD2-NH2 3.09Å
82	F	92.4	Very high	90	Very high	11 Å²	11	67.5 Å²	67.5	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-34	-173.1	-173	-115.6	0	0	0	113.3	F78 E79 S84 H85 A86 R89 W91 L94 Y102	F78-F82 HydrophobicContact CD1-CB 4.2Å; F78-F82 HydrophobicContact CE1-CB 3.88Å; F78-F82 AromaticContact CE1-CD1 3.7Å; F78-F82 HydrophobicContact CE1-CD1 3.7Å; F78-F82 HydrophobicContact CE1-CD2 4.44Å; F78-F82 HydrophobicContact CE1-CE1 4.3Å; F78-F82 AromaticContact CE1-CG 3.77Å; F78-F82 HydrophobicContact CE1-CG 3.77Å; F78-F82 HydrophobicContact CE2-CB 4.28Å; F78-F82 HydrophobicContact CE2-CD2 4.22Å; F78-F82 HydrophobicContact CE2-CG 4.24Å; F78-F82 HydrophobicContact CZ-CB 3.92Å; F78-F82 AromaticContact CZ-CD1 3.8Å; F78-F82 HydrophobicContact CZ-CD1 3.8Å; F78-F82 AromaticContact CZ-CD2 3.78Å; F78-F82 HydrophobicContact CZ-CD2 3.78Å; F78-F82 HydrophobicContact CZ-CE1 4.2Å; F78-F82 HydrophobicContact CZ-CE2 4.18Å; F78-F82 AromaticContact CZ-CG 3.57Å; F78-F82 HydrophobicContact CZ-CG 3.57Å; F78-F82 HydrophobicContact CZ-CZ 4.36Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 3.02Å; E79-F82 PolarHBondContact O-N 3.06Å; F82-S84 PolarHBondContact O-N 3.42Å; F82-S84 VanDerWaalsContact O-N 3.15Å; F82-H85 WeakPolarHBondContact O-CA 3.39Å; F82-H85 PolarHBondContact O-N 3.07Å; F82-A86 HydrophobicContact CD1-CB 3.91Å; F82-A86 HydrophobicContact CD2-CB 4.28Å; F82-A86 HydrophobicContact CE1-CB 3.45Å; F82-A86 VanDerWaalsContact CE1-CB 3.45Å; F82-A86 HydrophobicContact CE2-CB 3.86Å; F82-A86 HydrophobicContact CG-CB 4.31Å; F82-A86 HydrophobicContact CZ-CB 3.43Å; F82-A86 VanDerWaalsContact CZ-CB 3.43Å; F82-A86 PolarHBondContact O-N 2.9Å; F82-R89 WeakPolarHBondContact CE1-O 3.43Å; F82-W91 AromaticContact CE2-CE3 3.75Å; F82-W91 HydrophobicContact CE2-CE3 3.75Å; F82-W91 HydrophobicContact CE2-CZ3 4.29Å; F82-W91 HydrophobicContact CZ-CB 4.23Å; F82-W91 HydrophobicContact CZ-CE3 4.07Å; F82-L94 HydrophobicContact CE2-CD1 3.68Å; F82-L94 HydrophobicContact CZ-CD1 3.65Å; F82-L94 HydrophobicContact CZ-CG 4.28Å; F82-Y102 HydrophobicContact CB-CE2 4.31Å; F82-Y102 HydrophobicContact CD2-CD1 4.06Å; F82-Y102 HydrophobicContact CD2-CD2 4.02Å; F82-Y102 AromaticContact CD2-CE1 3.82Å; F82-Y102 HydrophobicContact CD2-CE1 3.82Å; F82-Y102 AromaticContact CD2-CE2 3.81Å; F82-Y102 HydrophobicContact CD2-CE2 3.81Å; F82-Y102 HydrophobicContact CD2-CG 4.13Å; F82-Y102 AromaticContact CD2-CZ 3.7Å; F82-Y102 HydrophobicContact CE2-CD1 4.4Å; F82-Y102 HydrophobicContact CE2-CG 4.39Å; F82-Y102 PolarHBondContact N-OH 3.49Å
83	R	85.8	Confident	89.9	Confident	175 Å²	175	69.9 Å²	69.9	66%	0.66	33%	0.331	S	S	*	.	H	α-helix	trans	-55.4	-32	174.8	-76.8	166.9	-173.5	-169.4	4.9	112.4	E79 D81 H85	E79-R83 VanDerWaalsContact O-CB 3.28Å; E79-R83 WeakPolarHBondContact O-CB 3.44Å; E79-R83 VanDerWaalsContact O-CD 3.28Å; E79-R83 WeakPolarHBondContact O-CD 3.5Å; E79-R83 WeakPolarHBondContact O-CG 3.47Å; E79-R83 PolarHBondContact O-N 3.26Å; E79-R83 IonicContact OE2-CZ 3.09Å; E79-R83 IonicContact OE2-NE 2.75Å; E79-R83 PolarHBondContact OE2-NE 3.31Å; E79-R83 IonicContact OE2-NH2 2.69Å; E79-R83 PolarHBondContact OE2-NH2 2.77Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 2.75Å; R83-H85 VanDerWaalsContact C-N 3.29Å; R83-H85 PolarHBondContact O-N 3.01Å
84	S	79.8	Confident	89.8	Confident	78 Å²	78	67.7 Å²	67.7	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-70.5	-23.2	176	76.2	0	0	0	0	113.7	D81 F82 R105	D81-S84 WeakPolarHBondContact O-CB 3.16Å; D81-S84 PolarHBondContact O-N 3.24Å; D81-S84 VanDerWaalsContact O-N 3.09Å; D81-S84 PolarHBondContact O-OG 3.4Å; F82-S84 PolarHBondContact O-N 3.42Å; F82-S84 VanDerWaalsContact O-N 3.15Å; S84-R105 PolarHBondContact OG-NH1 2.89Å; S84-R105 PolarHBondContact OG-NH2 2.99Å
85	H	79.9	Confident	89.7	Confident	55 Å²	55	71.4 Å²	71.4	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-99.9	-48.9	-173.6	-174.1	79.7	0	0	0	112.4	F82 R83 R87 Y102	F82-H85 WeakPolarHBondContact O-CA 3.39Å; F82-H85 PolarHBondContact O-N 3.07Å; R83-H85 VanDerWaalsContact C-N 3.29Å; R83-H85 PolarHBondContact O-N 3.01Å; H85-R87 PolarHBondContact O-N 2.72Å; H85-Y102 HydrophobicContact CB-CD2 3.94Å; H85-Y102 HydrophobicContact CB-CE2 4.2Å; H85-Y102 AromaticContact CD2-CD2 3.76Å; H85-Y102 AromaticContact CG-CD2 3.73Å
86	A	75.1	Confident	89.5	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-82.6	-8.1	-164.3	0	0	0	0	0	115.9	F82 G88 R89	F82-A86 HydrophobicContact CD1-CB 3.91Å; F82-A86 HydrophobicContact CD2-CB 4.28Å; F82-A86 HydrophobicContact CE1-CB 3.45Å; F82-A86 VanDerWaalsContact CE1-CB 3.45Å; F82-A86 HydrophobicContact CE2-CB 3.86Å; F82-A86 HydrophobicContact CG-CB 4.31Å; F82-A86 HydrophobicContact CZ-CB 3.43Å; F82-A86 VanDerWaalsContact CZ-CB 3.43Å; F82-A86 PolarHBondContact O-N 2.9Å; A86-G88 PolarHBondContact O-N 3.06Å; A86-R89 WeakPolarHBondContact CB-O 3.48Å; A86-R89 PolarHBondContact O-N 3.47Å
87	R	78.1	Confident	89.5	Confident	241 Å²	241	72.3 Å²	72.3	91%	0.909	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	28.4	-174.5	-56.7	-176.8	179.9	178.2	1.1	114.3	H85	H85-R87 PolarHBondContact O-N 2.72Å
88	G	79.6	Confident	89.4	Confident	77 Å²	77	71.8 Å²	71.8	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	9.4	179.8	0	0	0	0	0	115.9	A86	A86-G88 PolarHBondContact O-N 3.06Å
89	R	89.9	Confident	89.4	Confident	104 Å²	104	71.8 Å²	71.8	39%	0.392	35%	0.354	S	S	.	.			trans	-80.7	156.1	164.3	-71.1	-177.7	-67.2	167.5	-0.9	111.4	F82 A86 L94 E98	F82-R89 WeakPolarHBondContact CE1-O 3.43Å; A86-R89 WeakPolarHBondContact CB-O 3.48Å; A86-R89 PolarHBondContact O-N 3.47Å; R89-L94 HydrophobicContact CB-CD2 4.3Å; R89-E98 IonicContact CZ-OE1 2.71Å; R89-E98 IonicContact NH1-OE1 2.8Å; R89-E98 PolarHBondContact NH1-OE1 2.84Å; R89-E98 IonicContact NH1-OE2 3.32Å; R89-E98 PolarHBondContact NH1-OE2 3.19Å; R89-E98 IonicContact NH2-OE1 3.05Å; R89-E98 PolarHBondContact NH2-OE1 3.41Å
90	R	91.4	Very high	89.6	Confident	123 Å²	123	73.9 Å²	73.9	46%	0.464	36%	0.36	S	S	.	.			trans	-79.5	157.3	172.3	-75.3	-172.5	-65.1	163.1	5.2	112.2	T92 E93 E135	R90-T92 VanDerWaalsContact C-N 3.31Å; R90-T92 PolarHBondContact O-N 3.21Å; R90-E93 HydrophobicContact CB-CB 4.38Å; R90-E93 HydrophobicContact CB-CG 3.97Å; R90-E93 IonicContact CZ-OE1 2.7Å; R90-E93 VanDerWaalsContact CZ-OE1 3.25Å; R90-E93 PolarHBondContact N-OE2 2.85Å; R90-E93 IonicContact NE-OE1 3.86Å; R90-E93 PolarHBondContact NE-OE1 3.43Å; R90-E93 IonicContact NH2-OE1 2.84Å; R90-E93 PolarHBondContact NH2-OE1 3.34Å; R90-E93 PolarHBondContact O-N 3.3Å; R90-E135 WeakPolarHBondContact CA-OE1 3.4Å; R90-E135 HydrophobicContact CB-CG 4.49Å; R90-E135 WeakPolarHBondContact CB-OE1 3.2Å; R90-E135 WeakPolarHBondContact CB-OE2 3.25Å; R90-E135 HydrophobicContact CG-CG 4.36Å
91	W	95.3	Very high	89.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-59.4	-43.4	175.4	175.1	-101.2	0	0	0	112.1	F78 F82 E93 L94 Q99 Y102 V103 L128 V132 E135 N149 L152	F78-W91 HydrophobicContact CE2-CE3 4.46Å; F78-W91 HydrophobicContact CZ-CB 4.27Å; F78-W91 HydrophobicContact CZ-CE3 4.23Å; F82-W91 AromaticContact CE2-CE3 3.75Å; F82-W91 HydrophobicContact CE2-CE3 3.75Å; F82-W91 HydrophobicContact CE2-CZ3 4.29Å; F82-W91 HydrophobicContact CZ-CB 4.23Å; F82-W91 HydrophobicContact CZ-CE3 4.07Å; W91-E93 PolarHBondContact O-N 3.05Å; W91-L94 HydrophobicContact CE3-CD1 4.14Å; W91-L94 HydrophobicContact CZ3-CD1 4.4Å; W91-L94 WeakPolarHBondContact O-CB 3.42Å; W91-L94 PolarHBondContact O-N 3.42Å; W91-L94 VanDerWaalsContact O-N 3.16Å; W91-Q99 HydrophobicContact CD2-CG 4.31Å; W91-Q99 HydrophobicContact CE3-CG 4.28Å; W91-Q99 HydrophobicContact CH2-CB 3.47Å; W91-Q99 VanDerWaalsContact CH2-CB 3.47Å; W91-Q99 HydrophobicContact CH2-CG 3.66Å; W91-Q99 HydrophobicContact CZ2-CB 3.78Å; W91-Q99 HydrophobicContact CZ2-CG 3.68Å; W91-Q99 HydrophobicContact CZ3-CB 4.06Å; W91-Q99 HydrophobicContact CZ3-CG 3.95Å; W91-Q99 PolarHBondContact O-NE2 2.97Å; W91-Y102 HydrophobicContact CE3-CD1 4.36Å; W91-Y102 HydrophobicContact CH2-CD1 4.35Å; W91-Y102 AromaticContact CZ3-CD1 3.61Å; W91-Y102 HydrophobicContact CZ3-CD1 3.61Å; W91-Y102 HydrophobicContact CZ3-CE1 4.47Å; W91-Y102 HydrophobicContact CZ3-CG 4.24Å; W91-V103 HydrophobicContact CH2-CG2 4.08Å; W91-L128 HydrophobicContact CD2-CD2 3.7Å; W91-L128 HydrophobicContact CE3-CD2 4.05Å; W91-L128 HydrophobicContact CG-CD2 4.24Å; W91-L128 HydrophobicContact CH2-CD1 4.34Å; W91-L128 HydrophobicContact CH2-CD2 4.08Å; W91-L128 HydrophobicContact CZ2-CD2 3.73Å; W91-L128 HydrophobicContact CZ3-CD2 4.24Å; W91-V132 HydrophobicContact CB-CG1 4.1Å; W91-V132 HydrophobicContact CG-CG1 4.5Å; W91-V132 HydrophobicContact CG-CG2 4.12Å; W91-E135 PolarHBondContact N-OE1 2.95Å; W91-E135 PolarHBondContact N-OE2 3.35Å; W91-N149 PolarHBondContact NE1-ND2 3.1Å; W91-N149 PolarHBondContact NE1-OD1 3.22Å; W91-L152 HydrophobicContact CH2-CD2 4.11Å; W91-L152 HydrophobicContact CZ2-CD2 3.88Å
92	T	93.9	Very high	90.1	Very high	32 Å²	32	70 Å²	70	20%	0.196	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63.9	-16.5	177.3	50.7	0	0	0	0	114	R90 E135 W145	R90-T92 VanDerWaalsContact C-N 3.31Å; R90-T92 PolarHBondContact O-N 3.21Å; T92-E135 WeakPolarHBondContact CB-OE2 3.23Å; T92-E135 HydrophobicContact CG2-CB 4.13Å; T92-E135 VanDerWaalsContact CG2-OE2 3.23Å; T92-E135 WeakPolarHBondContact CG2-OE2 3.32Å; T92-E135 PolarHBondContact N-OE2 2.92Å; T92-E135 PolarHBondContact OG1-OE2 3.29Å; T92-W145 HydrophobicContact CG2-CD2 3.87Å; T92-W145 HydrophobicContact CG2-CE3 4.46Å; T92-W145 HydrophobicContact CG2-CG 4.3Å; T92-W145 HydrophobicContact CG2-CH2 4.19Å; T92-W145 HydrophobicContact CG2-CZ2 3.56Å
93	E	93.4	Very high	90.3	Very high	91 Å²	91	69.5 Å²	69.5	43%	0.425	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-95.7	-7.7	177.7	-66.2	167.2	177.8	0	0	113.6	R90 W91	R90-E93 HydrophobicContact CB-CB 4.38Å; R90-E93 HydrophobicContact CB-CG 3.97Å; R90-E93 IonicContact CZ-OE1 2.7Å; R90-E93 VanDerWaalsContact CZ-OE1 3.25Å; R90-E93 PolarHBondContact N-OE2 2.85Å; R90-E93 IonicContact NE-OE1 3.86Å; R90-E93 PolarHBondContact NE-OE1 3.43Å; R90-E93 IonicContact NH2-OE1 2.84Å; R90-E93 PolarHBondContact NH2-OE1 3.34Å; R90-E93 PolarHBondContact O-N 3.3Å; W91-E93 PolarHBondContact O-N 3.05Å
94	L	94.5	Very high	90.8	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.073	34%	0.339	C	S	.	.	S	Bend	trans	-78.8	147	179.7	-64.9	-169.9	0	0	0	112	F82 R89 W91 E98 Q99	F82-L94 HydrophobicContact CE2-CD1 3.68Å; F82-L94 HydrophobicContact CZ-CD1 3.65Å; F82-L94 HydrophobicContact CZ-CG 4.28Å; R89-L94 HydrophobicContact CB-CD2 4.3Å; W91-L94 HydrophobicContact CE3-CD1 4.14Å; W91-L94 HydrophobicContact CZ3-CD1 4.4Å; W91-L94 WeakPolarHBondContact O-CB 3.42Å; W91-L94 PolarHBondContact O-N 3.42Å; W91-L94 VanDerWaalsContact O-N 3.16Å; L94-E98 HydrophobicContact CB-CB 4.13Å; L94-E98 HydrophobicContact CD1-CB 4.32Å; L94-E98 HydrophobicContact CD2-CB 4.42Å; L94-Q99 HydrophobicContact CB-CG 3.74Å; L94-Q99 HydrophobicContact CD1-CG 4.46Å
95	T	94.6	Very high	91.5	Very high	81 Å²	81	67 Å²	67	50%	0.497	33%	0.329	S	S	.	.			trans	-69.9	155.6	167.1	60.6	0	0	0	0	110.9	D97 E98 Q99	T95-D97 PolarHBondContact O-N 3.38Å; T95-D97 VanDerWaalsContact O-N 3.14Å; T95-E98 WeakPolarHBondContact CB-OE2 3.46Å; T95-E98 PolarHBondContact N-OE2 3.39Å; T95-E98 WeakPolarHBondContact O-CB 3.5Å; T95-E98 PolarHBondContact O-N 2.62Å; T95-E98 VanDerWaalsContact OG1-CD 3.29Å; T95-E98 VanDerWaalsContact OG1-CG 3.27Å; T95-E98 WeakPolarHBondContact OG1-CG 2.97Å; T95-E98 PolarHBondContact OG1-OE2 2.89Å; T95-Q99 WeakPolarHBondContact O-CG 3.44Å; T95-Q99 PolarHBondContact O-N 3.48Å
96	V	93.9	Very high	92.3	Very high	56 Å²	56	64.5 Å²	64.5	34%	0.339	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-33.5	-179.3	-179.3	0	0	0	0	112.2	Q99 R100	V96-Q99 PolarHBondContact O-N 2.89Å; V96-R100 WeakPolarHBondContact O-CB 3.5Å; V96-R100 VanDerWaalsContact O-CG 3.28Å; V96-R100 WeakPolarHBondContact O-CG 3.24Å; V96-R100 PolarHBondContact O-N 3.48Å
97	D	95.1	Very high	93.2	Very high	100 Å²	100	66.3 Å²	66.3	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-77.2	-30.3	179.4	-60.3	-37.1	0	0	0	112.9	T95 R100 T101	T95-D97 PolarHBondContact O-N 3.38Å; T95-D97 VanDerWaalsContact O-N 3.14Å; D97-R100 IonicContact OD1-CZ 3.89Å; D97-R100 IonicContact OD1-NH1 2.8Å; D97-R100 PolarHBondContact OD1-NH1 3.41Å; D97-T101 WeakPolarHBondContact O-CB 3.38Å; D97-T101 PolarHBondContact O-N 3.2Å; D97-T101 PolarHBondContact O-OG1 3.48Å
98	E	94.7	Very high	94	Very high	53 Å²	53	59.3 Å²	59.3	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-42.1	167.9	-69.5	168.3	124.3	0	0	110.8	R89 L94 T95 T101 Y102	R89-E98 IonicContact CZ-OE1 2.71Å; R89-E98 IonicContact NH1-OE1 2.8Å; R89-E98 PolarHBondContact NH1-OE1 2.84Å; R89-E98 IonicContact NH1-OE2 3.32Å; R89-E98 PolarHBondContact NH1-OE2 3.19Å; R89-E98 IonicContact NH2-OE1 3.05Å; R89-E98 PolarHBondContact NH2-OE1 3.41Å; L94-E98 HydrophobicContact CB-CB 4.13Å; L94-E98 HydrophobicContact CD1-CB 4.32Å; L94-E98 HydrophobicContact CD2-CB 4.42Å; T95-E98 WeakPolarHBondContact CB-OE2 3.46Å; T95-E98 PolarHBondContact N-OE2 3.39Å; T95-E98 WeakPolarHBondContact O-CB 3.5Å; T95-E98 PolarHBondContact O-N 2.62Å; T95-E98 VanDerWaalsContact OG1-CD 3.29Å; T95-E98 VanDerWaalsContact OG1-CG 3.27Å; T95-E98 WeakPolarHBondContact OG1-CG 2.97Å; T95-E98 PolarHBondContact OG1-OE2 2.89Å; E98-T101 WeakPolarHBondContact O-CB 3.19Å; E98-T101 PolarHBondContact O-N 3.08Å; E98-Y102 PolarHBondContact O-N 2.97Å
99	Q	96.4	Very high	94.6	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-45.9	174.2	-68.3	179.7	-16.2	0	0	111.6	W91 L94 T95 V96 T101 Y102 V103 H148 L152	W91-Q99 HydrophobicContact CD2-CG 4.31Å; W91-Q99 HydrophobicContact CE3-CG 4.28Å; W91-Q99 HydrophobicContact CH2-CB 3.47Å; W91-Q99 VanDerWaalsContact CH2-CB 3.47Å; W91-Q99 HydrophobicContact CH2-CG 3.66Å; W91-Q99 HydrophobicContact CZ2-CB 3.78Å; W91-Q99 HydrophobicContact CZ2-CG 3.68Å; W91-Q99 HydrophobicContact CZ3-CB 4.06Å; W91-Q99 HydrophobicContact CZ3-CG 3.95Å; W91-Q99 PolarHBondContact O-NE2 2.97Å; L94-Q99 HydrophobicContact CB-CG 3.74Å; L94-Q99 HydrophobicContact CD1-CG 4.46Å; T95-Q99 WeakPolarHBondContact O-CG 3.44Å; T95-Q99 PolarHBondContact O-N 3.48Å; V96-Q99 PolarHBondContact O-N 2.89Å; Q99-T101 PolarHBondContact O-N 2.91Å; Q99-Y102 PolarHBondContact O-N 3.08Å; Q99-V103 WeakPolarHBondContact O-CG2 3.05Å; Q99-V103 PolarHBondContact O-N 3.3Å; Q99-H148 PolarHBondContact OE1-NE2 3.42Å; Q99-L152 HydrophobicContact CB-CD2 3.72Å
100	R	96.6	Very high	94.8	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-56.9	-45.6	172.1	-76	171.9	175.6	140.2	-0.8	112.1	V96 D97 Y102 V103 M104 L152 M156	V96-R100 WeakPolarHBondContact O-CB 3.5Å; V96-R100 VanDerWaalsContact O-CG 3.28Å; V96-R100 WeakPolarHBondContact O-CG 3.24Å; V96-R100 PolarHBondContact O-N 3.48Å; D97-R100 IonicContact OD1-CZ 3.89Å; D97-R100 IonicContact OD1-NH1 2.8Å; D97-R100 PolarHBondContact OD1-NH1 3.41Å; R100-Y102 VanDerWaalsContact C-N 3.29Å; R100-Y102 PolarHBondContact O-N 2.8Å; R100-V103 PolarHBondContact O-N 2.83Å; R100-M104 WeakPolarHBondContact O-CB 3.34Å; R100-M104 PolarHBondContact O-N 2.65Å; R100-L152 HydrophobicContact CB-CD1 4.45Å; R100-L152 HydrophobicContact CG-CD1 3.47Å; R100-L152 VanDerWaalsContact CG-CD1 3.47Å; R100-M156 HydrophobicContact CB-SD 3.91Å; R100-M156 HydrophobicContact CG-CE 4.11Å; R100-M156 HydrophobicContact CG-SD 3.8Å
101	T	95.8	Very high	94.7	Very high	83 Å²	83	53.8 Å²	53.8	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-39.5	179.3	-56.6	0	0	0	0	111.6	D97 E98 Q99 R105	D97-T101 WeakPolarHBondContact O-CB 3.38Å; D97-T101 PolarHBondContact O-N 3.2Å; D97-T101 PolarHBondContact O-OG1 3.48Å; E98-T101 WeakPolarHBondContact O-CB 3.19Å; E98-T101 PolarHBondContact O-N 3.08Å; Q99-T101 PolarHBondContact O-N 2.91Å; T101-R105 PolarHBondContact O-N 3.47Å
102	Y	96.2	Very high	94.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70.5	-43.8	175.3	-175.2	-109.6	0	0	0	112.7	F78 D81 F82 H85 W91 E98 Q99 R100 M104 R105 L106 L128	F78-Y102 HydrophobicContact CD2-CE1 4.07Å; F78-Y102 HydrophobicContact CE2-CD1 4.43Å; F78-Y102 AromaticContact CE2-CE1 3.56Å; F78-Y102 HydrophobicContact CE2-CE1 3.56Å; F78-Y102 HydrophobicContact CZ-CE1 4.43Å; D81-Y102 WeakPolarHBondContact OD2-CE2 3.11Å; D81-Y102 PolarHBondContact OD2-OH 3.36Å; F82-Y102 HydrophobicContact CB-CE2 4.31Å; F82-Y102 HydrophobicContact CD2-CD1 4.06Å; F82-Y102 HydrophobicContact CD2-CD2 4.02Å; F82-Y102 AromaticContact CD2-CE1 3.82Å; F82-Y102 HydrophobicContact CD2-CE1 3.82Å; F82-Y102 AromaticContact CD2-CE2 3.81Å; F82-Y102 HydrophobicContact CD2-CE2 3.81Å; F82-Y102 HydrophobicContact CD2-CG 4.13Å; F82-Y102 AromaticContact CD2-CZ 3.7Å; F82-Y102 HydrophobicContact CE2-CD1 4.4Å; F82-Y102 HydrophobicContact CE2-CG 4.39Å; F82-Y102 PolarHBondContact N-OH 3.49Å; H85-Y102 HydrophobicContact CB-CD2 3.94Å; H85-Y102 HydrophobicContact CB-CE2 4.2Å; H85-Y102 AromaticContact CD2-CD2 3.76Å; H85-Y102 AromaticContact CG-CD2 3.73Å; W91-Y102 HydrophobicContact CE3-CD1 4.36Å; W91-Y102 HydrophobicContact CH2-CD1 4.35Å; W91-Y102 AromaticContact CZ3-CD1 3.61Å; W91-Y102 HydrophobicContact CZ3-CD1 3.61Å; W91-Y102 HydrophobicContact CZ3-CE1 4.47Å; W91-Y102 HydrophobicContact CZ3-CG 4.24Å; E98-Y102 PolarHBondContact O-N 2.97Å; Q99-Y102 PolarHBondContact O-N 3.08Å; R100-Y102 VanDerWaalsContact C-N 3.29Å; R100-Y102 PolarHBondContact O-N 2.8Å; Y102-M104 VanDerWaalsContact C-N 3.3Å; Y102-M104 PolarHBondContact O-N 3.37Å; Y102-R105 WeakPolarHBondContact O-CB 3.39Å; Y102-R105 PolarHBondContact O-N 3.08Å; Y102-R105 VanDerWaalsContact O-N 3.16Å; Y102-L106 HydrophobicContact CD1-CD1 3.95Å; Y102-L106 HydrophobicContact CD1-CG 4.31Å; Y102-L106 HydrophobicContact CE1-CD1 3.54Å; Y102-L106 HydrophobicContact CE1-CD2 4.26Å; Y102-L106 HydrophobicContact CE1-CG 3.96Å; Y102-L106 PolarHBondContact O-N 3.36Å; Y102-L128 HydrophobicContact CE1-CD1 4.41Å
103	V	96.9	Very high	93.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-38	176.8	172.5	0	0	0	0	111.5	W91 Q99 R100 R105 L106 L107 L128 L152 L153 M156 I158	W91-V103 HydrophobicContact CH2-CG2 4.08Å; Q99-V103 WeakPolarHBondContact O-CG2 3.05Å; Q99-V103 PolarHBondContact O-N 3.3Å; R100-V103 PolarHBondContact O-N 2.83Å; V103-R105 PolarHBondContact O-N 3.4Å; V103-L106 WeakPolarHBondContact O-CB 3.4Å; V103-L106 PolarHBondContact O-N 3.17Å; V103-L106 VanDerWaalsContact O-N 3.14Å; V103-L107 PolarHBondContact O-N 2.95Å; V103-L128 HydrophobicContact CG2-CD1 4.34Å; V103-L152 HydrophobicContact CG2-CD2 3.98Å; V103-L152 HydrophobicContact CG2-CG 4.26Å; V103-L153 HydrophobicContact CG1-CD2 3.87Å; V103-L153 HydrophobicContact CG2-CD2 4.15Å; V103-M156 HydrophobicContact CB-CG 4.2Å; V103-M156 HydrophobicContact CG1-CB 3.61Å; V103-M156 HydrophobicContact CG1-CG 3.7Å; V103-I158 HydrophobicContact CG1-CD1 4.01Å; V103-I158 HydrophobicContact CG1-CG1 3.96Å
104	M	95.6	Very high	93.8	Very high	114 Å²	114	59.7 Å²	59.7	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-61.1	-42.9	173.9	-172	175.5	-177	0	0	111.7	R100 Y102 L106 L107 D108	R100-M104 WeakPolarHBondContact O-CB 3.34Å; R100-M104 PolarHBondContact O-N 2.65Å; Y102-M104 VanDerWaalsContact C-N 3.3Å; Y102-M104 PolarHBondContact O-N 3.37Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 3.02Å; M104-L107 WeakPolarHBondContact O-CB 3.47Å; M104-L107 PolarHBondContact O-N 2.9Å; M104-D108 PolarHBondContact O-N 3.42Å
105	R	94.8	Very high	93.6	Very high	86 Å²	86	64 Å²	64	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-38.3	172.1	168.7	-177.4	163.6	171	-1.5	112.4	D81 S84 T101 Y102 V103 A109	D81-R105 IonicContact OD1-CZ 2.68Å; D81-R105 IonicContact OD1-NE 3.59Å; D81-R105 IonicContact OD1-NH2 3.81Å; D81-R105 PolarHBondContact OD1-NH2 3.34Å; D81-R105 IonicContact OD2-CZ 3.19Å; D81-R105 VanDerWaalsContact OD2-CZ 3.27Å; D81-R105 IonicContact OD2-NE 3.27Å; D81-R105 PolarHBondContact OD2-NE 3.23Å; D81-R105 IonicContact OD2-NH2 3.2Å; D81-R105 PolarHBondContact OD2-NH2 3.08Å; D81-R105 VanDerWaalsContact OD2-NH2 3.09Å; S84-R105 PolarHBondContact OG-NH1 2.89Å; S84-R105 PolarHBondContact OG-NH2 2.99Å; T101-R105 PolarHBondContact O-N 3.47Å; Y102-R105 WeakPolarHBondContact O-CB 3.39Å; Y102-R105 PolarHBondContact O-N 3.08Å; Y102-R105 VanDerWaalsContact O-N 3.16Å; V103-R105 PolarHBondContact O-N 3.4Å; R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 3.14Å
106	L	95.8	Very high	93.5	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-37.8	175.8	-67.6	177.4	0	0	0	111.5	Y102 V103 M104 A109 L110 V121 A124 I125 L128	Y102-L106 HydrophobicContact CD1-CD1 3.95Å; Y102-L106 HydrophobicContact CD1-CG 4.31Å; Y102-L106 HydrophobicContact CE1-CD1 3.54Å; Y102-L106 HydrophobicContact CE1-CD2 4.26Å; Y102-L106 HydrophobicContact CE1-CG 3.96Å; Y102-L106 PolarHBondContact O-N 3.36Å; V103-L106 WeakPolarHBondContact O-CB 3.4Å; V103-L106 PolarHBondContact O-N 3.17Å; V103-L106 VanDerWaalsContact O-N 3.14Å; M104-L106 VanDerWaalsContact C-N 3.32Å; M104-L106 PolarHBondContact O-N 3.02Å; L106-A109 PolarHBondContact O-N 3.49Å; L106-L110 PolarHBondContact O-N 3.47Å; L106-V121 HydrophobicContact CB-CG1 4.28Å; L106-V121 HydrophobicContact CD2-CG1 4.13Å; L106-V121 VanDerWaalsContact O-CG1 3.24Å; L106-V121 WeakPolarHBondContact O-CG1 3.4Å; L106-A124 HydrophobicContact CD2-CB 4.44Å; L106-I125 HydrophobicContact CB-CD1 4.2Å; L106-I125 HydrophobicContact CB-CG1 4.13Å; L106-I125 HydrophobicContact CD1-CG1 3.9Å; L106-L128 HydrophobicContact CD1-CD1 3.73Å
107	L	95.6	Very high	93.5	Very high	39 Å²	39	68.6 Å²	68.6	20%	0.204	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-51.4	173.4	178.6	63.5	0	0	0	111.2	V103 M104 A109 L110 M156 I158 A161	V103-L107 PolarHBondContact O-N 2.95Å; M104-L107 WeakPolarHBondContact O-CB 3.47Å; M104-L107 PolarHBondContact O-N 2.9Å; L107-A109 PolarHBondContact O-N 2.83Å; L107-L110 WeakPolarHBondContact O-CB 3.47Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-M156 WeakPolarHBondContact CD2-O 3.47Å; L107-I158 HydrophobicContact CB-CD1 3.97Å; L107-I158 HydrophobicContact CD1-CD1 4.17Å; L107-A161 HydrophobicContact CD1-CB 3.56Å
108	D	93.8	Very high	93.5	Very high	95 Å²	95	66 Å²	66	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-55.7	-36.2	175	-63.2	-19.4	0	0	0	111.6	M104 E111	M104-D108 PolarHBondContact O-N 3.42Å; D108-E111 PolarHBondContact O-N 2.58Å
109	A	93.2	Very high	93.5	Very high	26 Å²	26	65 Å²	65	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-77.6	-16.2	179.7	0	0	0	0	0	114.1	R105 L106 L107 V112 V121	R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 3.14Å; L106-A109 PolarHBondContact O-N 3.49Å; L107-A109 PolarHBondContact O-N 2.83Å; A109-V112 WeakPolarHBondContact O-CG2 3.35Å; A109-V121 HydrophobicContact CB-CG1 4.04Å; A109-V121 HydrophobicContact CB-CG2 3.68Å
110	L	93.5	Very high	93.5	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-74.2	-25	170.2	-76.4	180	0	0	0	112.6	L106 L107 V112 R118 V121 A122 I125 A161 L165	L106-L110 PolarHBondContact O-N 3.47Å; L107-L110 WeakPolarHBondContact O-CB 3.47Å; L107-L110 PolarHBondContact O-N 3.32Å; L110-V112 PolarHBondContact O-N 3.33Å; L110-R118 WeakPolarHBondContact O-CD 3.45Å; L110-R118 WeakPolarHBondContact O-CG 3.28Å; L110-V121 HydrophobicContact CD2-CB 4.1Å; L110-V121 HydrophobicContact CD2-CG1 3.7Å; L110-V121 HydrophobicContact CG-CG1 3.82Å; L110-A122 HydrophobicContact CD2-CB 4.18Å; L110-I125 HydrophobicContact CD1-CD1 3.56Å; L110-I125 HydrophobicContact CD2-CD1 4.12Å; L110-I125 HydrophobicContact CG-CD1 3.88Å; L110-A161 HydrophobicContact CD1-CB 4.37Å; L110-L165 HydrophobicContact CB-CD1 4.33Å; L110-L165 HydrophobicContact CD1-CD1 4.14Å; L110-L165 HydrophobicContact CD2-CD1 4Å; L110-L165 HydrophobicContact CG-CD1 4.4Å
111	E	89.1	Confident	93.5	Very high	156 Å²	156	65 Å²	65	73%	0.729	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-6	179.6	-59.2	-169.1	166.8	0	0	113.5	D108	D108-E111 PolarHBondContact O-N 2.58Å
112	V	89.3	Confident	93.6	Very high	54 Å²	54	61.3 Å²	61.3	33%	0.327	31%	0.305	S	S	.	.			trans	-63.9	136.1	-176.7	176.9	0	0	0	0	111.4	A109 L110 D114 K117 R118	A109-V112 WeakPolarHBondContact O-CG2 3.35Å; L110-V112 PolarHBondContact O-N 3.33Å; V112-D114 VanDerWaalsContact C-N 3.29Å; V112-D114 HydrophobicContact CG1-CB 3.86Å; V112-D114 PolarHBondContact O-N 3.19Å; V112-K117 HydrophobicContact CG1-CB 4.38Å; V112-K117 HydrophobicContact CG1-CD 4.34Å; V112-R118 WeakPolarHBondContact O-CD 3.3Å; V112-R118 WeakPolarHBondContact O-CG 3.3Å; V112-R118 PolarHBondContact O-NH1 3.06Å
113	T	82.8	Confident	93.7	Very high	137 Å²	137	61.8 Å²	61.8	84%	0.84	31%	0.307	S	S	*	.	S	Bend	trans	-67.4	-27.1	-177.8	52.9	0	0	0	0	114	R115 R118	T113-R115 PolarHBondContact O-N 2.82Å; T113-R118 VanDerWaalsContact C-NH1 3.27Å; T113-R118 PolarHBondContact O-NH1 2.98Å
114	D	92.3	Very high	93.7	Very high	56 Å²	56	61.9 Å²	61.9	30%	0.299	31%	0.307	S	S	.	.			trans	-69.7	115.5	178.1	-174.8	-50.5	0	0	0	111.9	V112 D116 K117 R118	V112-D114 VanDerWaalsContact C-N 3.29Å; V112-D114 HydrophobicContact CG1-CB 3.86Å; V112-D114 PolarHBondContact O-N 3.19Å; D114-D116 PolarHBondContact O-N 2.82Å; D114-D116 PolarHBondContact OD1-N 3.36Å; D114-D116 VanDerWaalsContact OD1-N 3.14Å; D114-K117 HydrophobicContact CB-CB 4.13Å; D114-K117 HydrophobicContact CB-CD 3.93Å; D114-K117 HydrophobicContact CB-CG 4.18Å; D114-K117 PolarHBondContact O-N 3.35Å; D114-K117 PolarHBondContact OD1-N 3.44Å; D114-K117 WeakPolarHBondContact OD2-CE 3.21Å; D114-K117 IonicContact OD2-NZ 3.25Å; D114-K117 PolarHBondContact OD2-NZ 2.83Å; D114-R118 PolarHBondContact O-N 2.89Å; D114-R118 VanDerWaalsContact O-N 3.08Å
115	R	90.1	Very high	93.8	Very high	105 Å²	105	56.4 Å²	56.4	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-44.2	-175.6	-173.3	-176.4	-173.9	167.3	10.8	112.9	T113 K117 R118 L119 E169 E192	T113-R115 PolarHBondContact O-N 2.82Å; R115-K117 VanDerWaalsContact C-N 3.35Å; R115-R118 PolarHBondContact O-N 2.75Å; R115-L119 PolarHBondContact O-N 3.27Å; R115-E169 IonicContact CZ-OE1 2.76Å; R115-E169 VanDerWaalsContact NH2-CD 3.28Å; R115-E169 IonicContact NH2-OE1 3.3Å; R115-E169 PolarHBondContact NH2-OE1 3.14Å; R115-E169 IonicContact NH2-OE2 3.49Å; R115-E169 PolarHBondContact NH2-OE2 3.41Å; R115-E192 IonicContact CZ-OE2 3.94Å; R115-E192 IonicContact NE-OE2 3.29Å; R115-E192 PolarHBondContact NE-OE2 3.18Å; R115-E192 IonicContact NH2-OE2 2.88Å; R115-E192 PolarHBondContact NH2-OE2 3.28Å
116	D	92.5	Very high	94	Very high	119 Å²	119	52.5 Å²	52.5	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-70.2	-36.6	-174.9	-64.2	-35.4	0	0	0	110.7	D114 L119 K120	D114-D116 PolarHBondContact O-N 2.82Å; D114-D116 PolarHBondContact OD1-N 3.36Å; D114-D116 VanDerWaalsContact OD1-N 3.14Å; D116-L119 PolarHBondContact O-N 2.88Å; D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 3.43Å; D116-K120 VanDerWaalsContact O-N 3.08Å
117	K	93.1	Very high	94.1	Very high	115 Å²	115	52.6 Å²	52.6	50%	0.5	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-46.4	172	-68.4	178	-169.9	127.5	0	112.1	V112 D114 R115 L119 K120 V121	V112-K117 HydrophobicContact CG1-CB 4.38Å; V112-K117 HydrophobicContact CG1-CD 4.34Å; D114-K117 HydrophobicContact CB-CB 4.13Å; D114-K117 HydrophobicContact CB-CD 3.93Å; D114-K117 HydrophobicContact CB-CG 4.18Å; D114-K117 PolarHBondContact O-N 3.35Å; D114-K117 PolarHBondContact OD1-N 3.44Å; D114-K117 WeakPolarHBondContact OD2-CE 3.21Å; D114-K117 IonicContact OD2-NZ 3.25Å; D114-K117 PolarHBondContact OD2-NZ 2.83Å; R115-K117 VanDerWaalsContact C-N 3.35Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.46Å; K117-K120 WeakPolarHBondContact O-CB 3.29Å; K117-K120 PolarHBondContact O-N 3.19Å; K117-V121 WeakPolarHBondContact O-CG2 3.15Å; K117-V121 PolarHBondContact O-N 3.3Å; K117-V121 VanDerWaalsContact O-N 3.08Å
118	R	94.8	Very high	94.3	Very high	46 Å²	46	50.8 Å²	50.8	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-43.2	174.3	-72.1	-160.8	-55.6	-87.1	0.1	111.9	L110 V112 T113 D114 R115 K120 V121 A122 E192	L110-R118 WeakPolarHBondContact O-CD 3.45Å; L110-R118 WeakPolarHBondContact O-CG 3.28Å; V112-R118 WeakPolarHBondContact O-CD 3.3Å; V112-R118 WeakPolarHBondContact O-CG 3.3Å; V112-R118 PolarHBondContact O-NH1 3.06Å; T113-R118 VanDerWaalsContact C-NH1 3.27Å; T113-R118 PolarHBondContact O-NH1 2.98Å; D114-R118 PolarHBondContact O-N 2.89Å; D114-R118 VanDerWaalsContact O-N 3.08Å; R115-R118 PolarHBondContact O-N 2.75Å; R118-K120 PolarHBondContact O-N 3.49Å; R118-V121 PolarHBondContact O-N 2.99Å; R118-A122 WeakPolarHBondContact O-CB 3.12Å; R118-A122 PolarHBondContact O-N 2.88Å; R118-E192 IonicContact NH2-OE1 3.74Å
119	L	95.3	Very high	94.5	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-40.4	179.5	-177.8	59.1	0	0	0	112.2	R115 D116 K117 A122 R123 T191 E192 V195	R115-L119 PolarHBondContact O-N 3.27Å; D116-L119 PolarHBondContact O-N 2.88Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.46Å; L119-A122 PolarHBondContact O-N 3.17Å; L119-R123 WeakPolarHBondContact O-CB 3.35Å; L119-R123 WeakPolarHBondContact O-CG 3.18Å; L119-R123 PolarHBondContact O-N 3.34Å; L119-T191 HydrophobicContact CD1-CG2 4.48Å; L119-T191 HydrophobicContact CD2-CG2 4.2Å; L119-E192 HydrophobicContact CD1-CB 4.22Å; L119-E192 HydrophobicContact CD1-CG 4.37Å; L119-V195 HydrophobicContact CD1-CB 4.44Å; L119-V195 HydrophobicContact CD1-CG2 4.15Å
120	K	96.1	Very high	94.7	Very high	76 Å²	76	45 Å²	45	33%	0.33	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-46.8	172.5	-73.2	-170.8	169.3	-150.2	0	112.1	Y77 E80 D116 K117 R118 R123 A124	Y77-K120 HydrophobicContact CD1-CB 4.35Å; Y77-K120 HydrophobicContact CD1-CD 3.87Å; Y77-K120 HydrophobicContact CD1-CG 3.81Å; Y77-K120 HydrophobicContact CD2-CG 4.29Å; Y77-K120 HydrophobicContact CE1-CD 3.8Å; Y77-K120 HydrophobicContact CE1-CG 3.74Å; Y77-K120 HydrophobicContact CE2-CG 4.17Å; Y77-K120 HydrophobicContact CG-CB 4.28Å; Y77-K120 HydrophobicContact CG-CG 4.11Å; E80-K120 IonicContact OE1-NZ 3.41Å; E80-K120 IonicContact OE2-NZ 2.77Å; E80-K120 PolarHBondContact OE2-NZ 3.11Å; D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 3.43Å; D116-K120 VanDerWaalsContact O-N 3.08Å; K117-K120 WeakPolarHBondContact O-CB 3.29Å; K117-K120 PolarHBondContact O-N 3.19Å; R118-K120 PolarHBondContact O-N 3.49Å; K120-R123 WeakPolarHBondContact O-CB 3.38Å; K120-R123 PolarHBondContact O-N 2.89Å; K120-A124 PolarHBondContact O-N 3.3Å
121	V	96.8	Very high	94.9	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-45	178.7	175.9	0	0	0	0	110.9	L106 A109 L110 K117 R118 R123 A124 I125	L106-V121 HydrophobicContact CB-CG1 4.28Å; L106-V121 HydrophobicContact CD2-CG1 4.13Å; L106-V121 VanDerWaalsContact O-CG1 3.24Å; L106-V121 WeakPolarHBondContact O-CG1 3.4Å; A109-V121 HydrophobicContact CB-CG1 4.04Å; A109-V121 HydrophobicContact CB-CG2 3.68Å; L110-V121 HydrophobicContact CD2-CB 4.1Å; L110-V121 HydrophobicContact CD2-CG1 3.7Å; L110-V121 HydrophobicContact CG-CG1 3.82Å; K117-V121 WeakPolarHBondContact O-CG2 3.15Å; K117-V121 PolarHBondContact O-N 3.3Å; K117-V121 VanDerWaalsContact O-N 3.08Å; R118-V121 PolarHBondContact O-N 2.99Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 3.23Å; V121-A124 WeakPolarHBondContact O-CB 3.36Å; V121-A124 PolarHBondContact O-N 2.83Å; V121-A124 VanDerWaalsContact O-N 3.13Å; V121-I125 HydrophobicContact CG1-CD1 4.13Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 3.25Å
122	A	97.8	Very high	95.2	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-36.4	175.5	0	0	0	0	0	112.1	L110 R118 L119 I125 L126 V195	L110-A122 HydrophobicContact CD2-CB 4.18Å; R118-A122 WeakPolarHBondContact O-CB 3.12Å; R118-A122 PolarHBondContact O-N 2.88Å; L119-A122 PolarHBondContact O-N 3.17Å; A122-I125 PolarHBondContact O-N 3.4Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.01Å; A122-V195 HydrophobicContact CB-CG1 3.77Å
123	R	97.9	Very high	95.6	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-38.7	172.5	-76.7	-173.6	176.1	-74.4	1.8	113	E70 N74 Y77 L119 K120 V121 L126 Y127 V195	E70-R123 IonicContact OE2-CZ 2.65Å; E70-R123 VanDerWaalsContact OE2-CZ 3.24Å; E70-R123 IonicContact OE2-NH1 2.89Å; E70-R123 PolarHBondContact OE2-NH1 3.4Å; E70-R123 IonicContact OE2-NH2 3.41Å; E70-R123 PolarHBondContact OE2-NH2 3.49Å; N74-R123 WeakPolarHBondContact OD1-CB 3.38Å; N74-R123 VanDerWaalsContact OD1-CG 3.29Å; N74-R123 WeakPolarHBondContact OD1-CG 3.4Å; N74-R123 PolarHBondContact OD1-NH1 3.09Å; Y77-R123 HydrophobicContact CD2-CB 3.95Å; Y77-R123 HydrophobicContact CD2-CG 4.39Å; L119-R123 WeakPolarHBondContact O-CB 3.35Å; L119-R123 WeakPolarHBondContact O-CG 3.18Å; L119-R123 PolarHBondContact O-N 3.34Å; K120-R123 WeakPolarHBondContact O-CB 3.38Å; K120-R123 PolarHBondContact O-N 2.89Å; V121-R123 VanDerWaalsContact C-N 3.29Å; V121-R123 PolarHBondContact O-N 3.23Å; R123-L126 PolarHBondContact O-N 3.3Å; R123-Y127 PolarHBondContact O-N 3.31Å; R123-V195 HydrophobicContact CG-CG1 4.36Å; R123-V195 HydrophobicContact CG-CG2 3.97Å
124	A	97.8	Very high	96.1	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-39	173.2	0	0	0	0	0	112.2	F78 L106 K120 V121 Y127 L128	F78-A124 HydrophobicContact CB-CB 3.98Å; F78-A124 HydrophobicContact CD2-CB 4.46Å; L106-A124 HydrophobicContact CD2-CB 4.44Å; K120-A124 PolarHBondContact O-N 3.3Å; V121-A124 WeakPolarHBondContact O-CB 3.36Å; V121-A124 PolarHBondContact O-N 2.83Å; V121-A124 VanDerWaalsContact O-N 3.13Å; A124-Y127 PolarHBondContact O-N 3.13Å; A124-L128 PolarHBondContact O-N 3.02Å; A124-L128 VanDerWaalsContact O-N 3.12Å
125	I	98.4	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-39.6	172.2	-66.4	166.9	0	0	0	111	L106 L110 V121 A122 Y127 L128 A129 L153 I158 I199	L106-I125 HydrophobicContact CB-CD1 4.2Å; L106-I125 HydrophobicContact CB-CG1 4.13Å; L106-I125 HydrophobicContact CD1-CG1 3.9Å; L110-I125 HydrophobicContact CD1-CD1 3.56Å; L110-I125 HydrophobicContact CD2-CD1 4.12Å; L110-I125 HydrophobicContact CG-CD1 3.88Å; V121-I125 HydrophobicContact CG1-CD1 4.13Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 3.25Å; A122-I125 PolarHBondContact O-N 3.4Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 PolarHBondContact O-N 3.22Å; I125-L128 WeakPolarHBondContact O-CB 3.46Å; I125-L128 PolarHBondContact O-N 3.48Å; I125-A129 PolarHBondContact O-N 3.42Å; I125-L153 HydrophobicContact CG2-CD1 4.18Å; I125-L153 HydrophobicContact CG2-CD2 4.03Å; I125-I158 HydrophobicContact CD1-CD1 4.27Å; I125-I158 HydrophobicContact CG2-CG2 4.12Å; I125-I199 HydrophobicContact CB-CD1 4.32Å; I125-I199 HydrophobicContact CG2-CD1 3.96Å; I125-I199 HydrophobicContact CG2-CG1 4.46Å; I125-I199 HydrophobicContact CG2-CG2 4.1Å
126	L	98.6	Very high	96.4	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-38.9	174.8	179.9	56.4	0	0	0	111.8	N74 A122 R123 A129 Q130 V195 I199 L202	N74-L126 WeakPolarHBondContact ND2-CD2 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.01Å; R123-L126 PolarHBondContact O-N 3.3Å; L126-A129 CarbonylContact O-C 3.29Å; L126-A129 PolarHBondContact O-N 3.45Å; L126-Q130 HydrophobicContact CD1-CG 4.1Å; L126-Q130 HydrophobicContact CG-CG 4.36Å; L126-Q130 VanDerWaalsContact O-CB 3.3Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.5Å; L126-Q130 PolarHBondContact O-N 2.88Å; L126-V195 HydrophobicContact CB-CG1 4.28Å; L126-V195 HydrophobicContact CD2-CB 4.4Å; L126-V195 HydrophobicContact CD2-CG1 4.08Å; L126-V195 HydrophobicContact CD2-CG2 4.26Å; L126-I199 HydrophobicContact CB-CD1 4.22Å; L126-I199 HydrophobicContact CB-CG1 3.8Å; L126-I199 HydrophobicContact CD1-CG1 3.89Å; L126-I199 HydrophobicContact CG-CG1 4.38Å; L126-L202 HydrophobicContact CD1-CD1 3.81Å
127	Y	98.5	Very high	96.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-42.2	173.3	-179.6	-112.5	0	0	0	112.8	R75 F78 R123 A124 I125 Q130 G131 V132 F133 D134	R75-Y127 HydrophobicContact CB-CD2 3.82Å; R75-Y127 HydrophobicContact CB-CE2 3.61Å; R75-Y127 HydrophobicContact CB-CG 4.4Å; R75-Y127 HydrophobicContact CG-CD2 4.5Å; R75-Y127 HydrophobicContact CG-CE1 4.26Å; R75-Y127 HydrophobicContact CG-CE2 3.88Å; F78-Y127 HydrophobicContact CB-CD1 3.48Å; F78-Y127 VanDerWaalsContact CB-CD1 3.48Å; F78-Y127 HydrophobicContact CB-CE1 4.21Å; F78-Y127 HydrophobicContact CB-CG 4.13Å; F78-Y127 AromaticContact CD1-CD1 3.56Å; F78-Y127 HydrophobicContact CD1-CD1 3.56Å; F78-Y127 AromaticContact CD1-CE1 3.5Å; F78-Y127 HydrophobicContact CD1-CE1 3.5Å; F78-Y127 VanDerWaalsContact CD1-CE1 3.5Å; F78-Y127 AromaticContact CD2-CD1 3.97Å; F78-Y127 HydrophobicContact CD2-CD1 3.97Å; F78-Y127 HydrophobicContact CE1-CD1 4.26Å; F78-Y127 AromaticContact CE1-CE1 3.97Å; F78-Y127 HydrophobicContact CE1-CE1 3.97Å; F78-Y127 AromaticContact CG-CD1 3.39Å; F78-Y127 HydrophobicContact CG-CD1 3.39Å; F78-Y127 AromaticContact CG-CE1 3.88Å; F78-Y127 HydrophobicContact CG-CE1 3.88Å; F78-Y127 HydrophobicContact CG-CG 4.45Å; R123-Y127 PolarHBondContact O-N 3.31Å; A124-Y127 PolarHBondContact O-N 3.13Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 PolarHBondContact O-N 3.22Å; Y127-Q130 CarbonylContact O-C 3.56Å; Y127-Q130 PolarHBondContact O-N 2.75Å; Y127-G131 PolarHBondContact O-N 2.84Å; Y127-V132 HydrophobicContact CE1-CB 4.15Å; Y127-V132 HydrophobicContact CE1-CG1 3.67Å; Y127-V132 HydrophobicContact CE1-CG2 4.28Å; Y127-V132 PolarHBondContact O-N 3.38Å; Y127-F133 HydrophobicContact CD2-CD1 4.15Å; Y127-F133 AromaticContact CD2-CE1 3.55Å; Y127-F133 HydrophobicContact CD2-CE1 3.55Å; Y127-F133 AromaticContact CD2-CZ 3.75Å; Y127-F133 HydrophobicContact CD2-CZ 3.75Å; Y127-F133 AromaticContact CE2-CD1 3.82Å; Y127-F133 HydrophobicContact CE2-CD1 3.82Å; Y127-F133 HydrophobicContact CE2-CD2 4.12Å; Y127-F133 AromaticContact CE2-CE1 3.51Å; Y127-F133 HydrophobicContact CE2-CE1 3.51Å; Y127-F133 AromaticContact CE2-CE2 3.83Å; Y127-F133 HydrophobicContact CE2-CE2 3.83Å; Y127-F133 HydrophobicContact CE2-CG 4.11Å; Y127-F133 AromaticContact CE2-CZ 3.51Å; Y127-F133 HydrophobicContact CE2-CZ 3.51Å; Y127-D134 WeakPolarHBondContact OH-CB 3.35Å; Y127-D134 PolarHBondContact OH-N 3.03Å
128	L	98.2	Very high	96.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-48.2	171.9	-75.4	177.1	0	0	0	111.5	F78 W91 Y102 V103 L106 A124 I125 Q130 G131 V132 N149 L153	F78-L128 HydrophobicContact CD2-CD2 4.2Å; F78-L128 HydrophobicContact CD2-CG 4.04Å; F78-L128 HydrophobicContact CE2-CD1 4.25Å; F78-L128 HydrophobicContact CE2-CD2 3.52Å; F78-L128 HydrophobicContact CE2-CG 3.81Å; F78-L128 HydrophobicContact CZ-CD2 4.14Å; W91-L128 HydrophobicContact CD2-CD2 3.7Å; W91-L128 HydrophobicContact CE3-CD2 4.05Å; W91-L128 HydrophobicContact CG-CD2 4.24Å; W91-L128 HydrophobicContact CH2-CD1 4.34Å; W91-L128 HydrophobicContact CH2-CD2 4.08Å; W91-L128 HydrophobicContact CZ2-CD2 3.73Å; W91-L128 HydrophobicContact CZ3-CD2 4.24Å; Y102-L128 HydrophobicContact CE1-CD1 4.41Å; V103-L128 HydrophobicContact CG2-CD1 4.34Å; L106-L128 HydrophobicContact CD1-CD1 3.73Å; A124-L128 PolarHBondContact O-N 3.02Å; A124-L128 VanDerWaalsContact O-N 3.12Å; I125-L128 WeakPolarHBondContact O-CB 3.46Å; I125-L128 PolarHBondContact O-N 3.48Å; L128-Q130 VanDerWaalsContact C-N 3.27Å; L128-Q130 PolarHBondContact O-N 3.2Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-V132 HydrophobicContact CD2-CG2 3.75Å; L128-N149 VanDerWaalsContact O-CB 3.3Å; L128-N149 WeakPolarHBondContact O-CB 3.36Å; L128-N149 PolarHBondContact O-ND2 3.08Å; L128-L153 HydrophobicContact CB-CD1 4.5Å
129	A	98.3	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-30	176.8	0	0	0	0	0	113	I125 L126 G131 S146 I150 L153 I199 L202	I125-A129 PolarHBondContact O-N 3.42Å; L126-A129 CarbonylContact O-C 3.29Å; L126-A129 PolarHBondContact O-N 3.45Å; A129-G131 PolarHBondContact O-N 3.3Å; A129-S146 WeakPolarHBondContact O-CB 3.25Å; A129-S146 PolarHBondContact O-OG 2.96Å; A129-I150 HydrophobicContact CB-CG1 4.36Å; A129-L153 HydrophobicContact CB-CD1 4.09Å; A129-I199 HydrophobicContact CB-CG2 4.34Å; A129-L202 HydrophobicContact CB-CB 4.42Å; A129-L202 HydrophobicContact CB-CD1 3.72Å
130	Q	98	Very high	96.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.7	172.2	-75	170.5	-30.6	0	0	113.3	Y63 F71 N74 L126 Y127 L128 F133 V142 L202 F637	Y63-Q130 PolarHBondContact OH-NE2 3.4Å; F71-Q130 VanDerWaalsContact CD1-NE2 3.33Å; N74-Q130 PolarHBondContact ND2-OE1 2.85Å; N74-Q130 VanDerWaalsContact ND2-OE1 3.12Å; L126-Q130 HydrophobicContact CD1-CG 4.1Å; L126-Q130 HydrophobicContact CG-CG 4.36Å; L126-Q130 VanDerWaalsContact O-CB 3.3Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.5Å; L126-Q130 PolarHBondContact O-N 2.88Å; Y127-Q130 CarbonylContact O-C 3.56Å; Y127-Q130 PolarHBondContact O-N 2.75Å; L128-Q130 VanDerWaalsContact C-N 3.27Å; L128-Q130 PolarHBondContact O-N 3.2Å; Q130-F133 HydrophobicContact CB-CD1 4.21Å; Q130-F133 HydrophobicContact CB-CE1 4.25Å; Q130-V142 VanDerWaalsContact O-CG1 3.25Å; Q130-V142 WeakPolarHBondContact O-CG1 3.47Å; Q130-L202 HydrophobicContact CG-CD1 4.15Å; Q130-F637 HydrophobicContact CB-CE2 4.38Å; Q130-F637 HydrophobicContact CB-CZ 4.2Å; Q130-F637 HydrophobicContact CG-CE2 4.46Å; Q130-F637 HydrophobicContact CG-CZ 4.37Å
131	G	97.1	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	17.1	171.3	0	0	0	0	0	115.8	Y127 L128 A129 F133 W145 S146	Y127-G131 PolarHBondContact O-N 2.84Å; L128-G131 PolarHBondContact O-N 3.39Å; A129-G131 PolarHBondContact O-N 3.3Å; G131-F133 PolarHBondContact O-N 2.91Å; G131-W145 WeakPolarHBondContact O-CB 3.47Å; G131-S146 VanDerWaalsContact CA-N 3.32Å
132	V	96.6	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	55.1	51.6	174	-166.8	0	0	0	0	111.3	W91 Y127 L128 D134 E135 C136 N149	W91-V132 HydrophobicContact CB-CG1 4.1Å; W91-V132 HydrophobicContact CG-CG1 4.5Å; W91-V132 HydrophobicContact CG-CG2 4.12Å; Y127-V132 HydrophobicContact CE1-CB 4.15Å; Y127-V132 HydrophobicContact CE1-CG1 3.67Å; Y127-V132 HydrophobicContact CE1-CG2 4.28Å; Y127-V132 PolarHBondContact O-N 3.38Å; L128-V132 HydrophobicContact CD2-CG2 3.75Å; V132-D134 PolarHBondContact O-N 3.29Å; V132-D134 VanDerWaalsContact O-N 3.13Å; V132-E135 HydrophobicContact CG1-CB 4.04Å; V132-E135 HydrophobicContact CG1-CG 3.77Å; V132-E135 PolarHBondContact O-N 3.25Å; V132-C136 PolarHBondContact O-SG 3.13Å; V132-N149 WeakPolarHBondContact CG2-ND2 3.4Å
133	F	95.9	Very high	96.3	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.053	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.1	-167.3	51.8	-104.2	0	0	0	114.9	F71 R75 Y127 Q130 G131 E135 C136 V142 V641	F71-F133 HydrophobicContact CB-CE1 4.35Å; F71-F133 HydrophobicContact CB-CZ 3.87Å; F71-F133 HydrophobicContact CD1-CE1 4.27Å; R75-F133 HydrophobicContact CB-CZ 4.47Å; Y127-F133 HydrophobicContact CD2-CD1 4.15Å; Y127-F133 AromaticContact CD2-CE1 3.55Å; Y127-F133 HydrophobicContact CD2-CE1 3.55Å; Y127-F133 AromaticContact CD2-CZ 3.75Å; Y127-F133 HydrophobicContact CD2-CZ 3.75Å; Y127-F133 AromaticContact CE2-CD1 3.82Å; Y127-F133 HydrophobicContact CE2-CD1 3.82Å; Y127-F133 HydrophobicContact CE2-CD2 4.12Å; Y127-F133 AromaticContact CE2-CE1 3.51Å; Y127-F133 HydrophobicContact CE2-CE1 3.51Å; Y127-F133 AromaticContact CE2-CE2 3.83Å; Y127-F133 HydrophobicContact CE2-CE2 3.83Å; Y127-F133 HydrophobicContact CE2-CG 4.11Å; Y127-F133 AromaticContact CE2-CZ 3.51Å; Y127-F133 HydrophobicContact CE2-CZ 3.51Å; Q130-F133 HydrophobicContact CB-CD1 4.21Å; Q130-F133 HydrophobicContact CB-CE1 4.25Å; G131-F133 PolarHBondContact O-N 2.91Å; F133-E135 PolarHBondContact O-N 3.49Å; F133-C136 PolarHBondContact O-N 3.04Å; F133-C136 VanDerWaalsContact O-N 3.11Å; F133-V142 HydrophobicContact CB-CG1 4.19Å; F133-V142 HydrophobicContact CB-CG2 3.85Å; F133-V641 HydrophobicContact CB-CB 4.09Å; F133-V641 HydrophobicContact CB-CG2 3.61Å; F133-V641 HydrophobicContact CD1-CB 4.1Å; F133-V641 HydrophobicContact CD1-CG1 4.34Å; F133-V641 HydrophobicContact CD1-CG2 3.93Å; F133-V641 HydrophobicContact CD2-CB 3.66Å; F133-V641 HydrophobicContact CD2-CG1 4.33Å; F133-V641 HydrophobicContact CD2-CG2 4.15Å; F133-V641 HydrophobicContact CE1-CB 4.48Å; F133-V641 HydrophobicContact CE1-CG1 4.29Å; F133-V641 HydrophobicContact CE2-CB 4.08Å; F133-V641 HydrophobicContact CE2-CG1 4.29Å; F133-V641 HydrophobicContact CG-CB 3.67Å; F133-V641 HydrophobicContact CG-CG1 4.36Å; F133-V641 HydrophobicContact CG-CG2 3.63Å; F133-V641 HydrophobicContact CZ-CB 4.48Å; F133-V641 HydrophobicContact CZ-CG1 4.28Å
134	D	94.7	Very high	96.2	Very high	87 Å²	87	35.4 Å²	35.4	47%	0.465	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.9	-19.7	176.6	-153.8	91.2	0	0	0	112.3	R75 Y127 V132	R75-D134 WeakPolarHBondContact CD-OD1 3.31Å; R75-D134 HydrophobicContact CG-CB 4.27Å; R75-D134 IonicContact CZ-OD1 3.87Å; R75-D134 IonicContact NE-OD1 2.86Å; R75-D134 IonicContact NH1-OD1 3.83Å; R75-D134 PolarHBondContact NH1-OD1 3.12Å; Y127-D134 WeakPolarHBondContact OH-CB 3.35Å; Y127-D134 PolarHBondContact OH-N 3.03Å; V132-D134 PolarHBondContact O-N 3.29Å; V132-D134 VanDerWaalsContact O-N 3.13Å
135	E	93.9	Very high	96.1	Very high	39 Å²	39	37.7 Å²	37.7	18%	0.182	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-94.6	4.7	174.2	-62.6	-173.9	-170.7	0	0	113.5	R90 W91 T92 V132 F133	R90-E135 WeakPolarHBondContact CA-OE1 3.4Å; R90-E135 HydrophobicContact CB-CG 4.49Å; R90-E135 WeakPolarHBondContact CB-OE1 3.2Å; R90-E135 WeakPolarHBondContact CB-OE2 3.25Å; R90-E135 HydrophobicContact CG-CG 4.36Å; W91-E135 PolarHBondContact N-OE1 2.95Å; W91-E135 PolarHBondContact N-OE2 3.35Å; T92-E135 WeakPolarHBondContact CB-OE2 3.23Å; T92-E135 HydrophobicContact CG2-CB 4.13Å; T92-E135 VanDerWaalsContact CG2-OE2 3.23Å; T92-E135 WeakPolarHBondContact CG2-OE2 3.32Å; T92-E135 PolarHBondContact N-OE2 2.92Å; T92-E135 PolarHBondContact OG1-OE2 3.29Å; V132-E135 HydrophobicContact CG1-CB 4.04Å; V132-E135 HydrophobicContact CG1-CG 3.77Å; V132-E135 PolarHBondContact O-N 3.25Å; F133-E135 PolarHBondContact O-N 3.49Å
136	C	94.7	Very high	96.1	Very high	14 Å²	14	37.9 Å²	37.9	10%	0.095	20%	0.198	C	C	.	.			trans	-114.1	133.8	-171.7	-65.5	0	0	0	0	113	V132 F133 D141 V142	V132-C136 PolarHBondContact O-SG 3.13Å; F133-C136 PolarHBondContact O-N 3.04Å; F133-C136 VanDerWaalsContact O-N 3.11Å; C136-D141 HydrophobicContact CB-CB 3.97Å; C136-V142 HydrophobicContact CB-CG2 3.59Å
137	D	91.7	Very high	96	Very high	151 Å²	151	39 Å²	39	81%	0.807	20%	0.202	S	C	*	.	S	Bend	trans	-85.5	-21.1	177	-66.1	-51.9	0	0	0	113.4
138	T	95.1	Very high	95.9	Very high	59 Å²	59	39.7 Å²	39.7	36%	0.362	21%	0.206	S	C	.	.	S	Bend	trans	-138.3	156.2	-176	79.9	0	0	0	0	113.6	V140 D141 V142	T138-V140 PolarHBondContact O-N 3.24Å; T138-V140 VanDerWaalsContact O-N 3.17Å; T138-V140 PolarHBondContact OG1-N 2.93Å; T138-D141 WeakPolarHBondContact CB-OD2 3.22Å; T138-D141 PolarHBondContact N-OD2 2.97Å; T138-D141 PolarHBondContact O-N 3.14Å; T138-D141 VanDerWaalsContact O-N 3.09Å; T138-D141 VanDerWaalsContact OG1-CG 3.27Å; T138-D141 PolarHBondContact OG1-N 3.04Å; T138-D141 PolarHBondContact OG1-OD2 2.87Å; T138-V142 PolarHBondContact O-N 3.23Å
139	E	94.1	Very high	95.8	Very high	56 Å²	56	39.8 Å²	39.8	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-54.9	-31.1	171.8	-66.2	-174.8	-143.6	0	0	113	L143 P638 H639 V642	E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 2.94Å; E139-L143 VanDerWaalsContact O-N 3.15Å; E139-P638 HydrophobicContact CB-CG 3.9Å; E139-P638 HydrophobicContact CG-CG 3.99Å; E139-H639 WeakPolarHBondContact OE1-CB 3.35Å; E139-H639 IonicContact OE1-CE1 2.64Å; E139-H639 IonicContact OE1-CG 3.43Å; E139-H639 IonicContact OE1-ND1 2.72Å; E139-H639 PolarHBondContact OE1-ND1 2.89Å; E139-V642 HydrophobicContact CG-CG2 4.41Å
140	V	94.9	Very high	95.8	Very high	105 Å²	105	39.8 Å²	39.8	64%	0.636	21%	0.206	S	C	*	.	H	α-helix	trans	-69.9	-38.8	179.4	-178.8	0	0	0	0	110.9	T138 L143 H144	T138-V140 PolarHBondContact O-N 3.24Å; T138-V140 VanDerWaalsContact O-N 3.17Å; T138-V140 PolarHBondContact OG1-N 2.93Å; V140-L143 PolarHBondContact O-N 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.25Å; V140-H144 PolarHBondContact O-N 3.21Å
141	D	95.4	Very high	95.8	Very high	59 Å²	59	39.8 Å²	39.8	32%	0.316	21%	0.206	S	C	.	.	H	α-helix	trans	-67.1	-40.9	177.3	-57	-53.6	0	0	0	111.1	C136 T138 L143 H144 W145	C136-D141 HydrophobicContact CB-CB 3.97Å; T138-D141 WeakPolarHBondContact CB-OD2 3.22Å; T138-D141 PolarHBondContact N-OD2 2.97Å; T138-D141 PolarHBondContact O-N 3.14Å; T138-D141 VanDerWaalsContact O-N 3.09Å; T138-D141 VanDerWaalsContact OG1-CG 3.27Å; T138-D141 PolarHBondContact OG1-N 3.04Å; T138-D141 PolarHBondContact OG1-OD2 2.87Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.77Å; D141-H144 WeakPolarHBondContact O-CB 3.44Å; D141-H144 PolarHBondContact O-N 3.43Å; D141-W145 PolarHBondContact O-N 2.88Å
142	V	96.9	Very high	95.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-46.1	174	-179.7	0	0	0	0	111	Q130 F133 C136 T138 S146 F637 P638 V642	Q130-V142 VanDerWaalsContact O-CG1 3.25Å; Q130-V142 WeakPolarHBondContact O-CG1 3.47Å; F133-V142 HydrophobicContact CB-CG1 4.19Å; F133-V142 HydrophobicContact CB-CG2 3.85Å; C136-V142 HydrophobicContact CB-CG2 3.59Å; T138-V142 PolarHBondContact O-N 3.23Å; V142-S146 WeakPolarHBondContact O-CB 3.42Å; V142-S146 PolarHBondContact O-N 3.4Å; V142-F637 HydrophobicContact CG1-CZ 4.18Å; V142-P638 HydrophobicContact CB-CB 4.29Å; V142-P638 HydrophobicContact CG1-CB 3.94Å; V142-V642 HydrophobicContact CG2-CG2 3.54Å
143	L	95.8	Very high	95.9	Very high	44 Å²	44	40.1 Å²	40.1	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-36.5	177.6	-66	172.2	0	0	0	112.4	L55 T56 L59 E139 V140 D141 R147	L55-L143 HydrophobicContact CD2-CD2 4.41Å; T56-L143 HydrophobicContact CG2-CD1 3.77Å; L59-L143 HydrophobicContact CD1-CD2 3.53Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 2.94Å; E139-L143 VanDerWaalsContact O-N 3.15Å; V140-L143 PolarHBondContact O-N 3.31Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.77Å; L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 PolarHBondContact O-N 2.99Å
144	H	95.1	Very high	96	Very high	106 Å²	106	40.8 Å²	40.8	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-52.3	176	178.9	81.9	0	0	0	111.7	V140 D141 R147 H148	V140-H144 WeakPolarHBondContact O-CB 3.25Å; V140-H144 PolarHBondContact O-N 3.21Å; D141-H144 WeakPolarHBondContact O-CB 3.44Å; D141-H144 PolarHBondContact O-N 3.43Å; H144-R147 PolarHBondContact O-N 3.13Å; H144-H148 PolarHBondContact O-N 3.2Å
145	W	96.9	Very high	96.1	Very high	50 Å²	50	40.5 Å²	40.5	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-68.7	-35.4	179.3	-77.7	111.5	0	0	0	112.5	T92 G131 D141 R147 H148 N149	T92-W145 HydrophobicContact CG2-CD2 3.87Å; T92-W145 HydrophobicContact CG2-CE3 4.46Å; T92-W145 HydrophobicContact CG2-CG 4.3Å; T92-W145 HydrophobicContact CG2-CH2 4.19Å; T92-W145 HydrophobicContact CG2-CZ2 3.56Å; G131-W145 WeakPolarHBondContact O-CB 3.47Å; D141-W145 PolarHBondContact O-N 2.88Å; W145-R147 PolarHBondContact O-N 3.45Å; W145-H148 HydrophobicContact CE3-CB 4.44Å; W145-H148 AromaticContact CE3-CD2 3.82Å; W145-H148 AromaticContact CZ3-CD2 3.67Å; W145-H148 PolarHBondContact O-N 3.14Å; W145-N149 WeakPolarHBondContact O-CB 3.5Å; W145-N149 PolarHBondContact O-N 2.83Å; W145-N149 PolarHBondContact O-ND2 3.14Å
146	S	97.2	Very high	96.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-49.9	170.3	176.7	0	0	0	0	110.5	A129 G131 V142 N149 I150	A129-S146 WeakPolarHBondContact O-CB 3.25Å; A129-S146 PolarHBondContact O-OG 2.96Å; G131-S146 VanDerWaalsContact CA-N 3.32Å; V142-S146 WeakPolarHBondContact O-CB 3.42Å; V142-S146 PolarHBondContact O-N 3.4Å; S146-N149 PolarHBondContact O-N 3.45Å; S146-I150 VanDerWaalsContact O-CB 3.29Å; S146-I150 WeakPolarHBondContact O-CB 3.4Å; S146-I150 VanDerWaalsContact O-CD1 3.3Å; S146-I150 WeakPolarHBondContact O-CD1 3.38Å; S146-I150 WeakPolarHBondContact O-CG1 3.48Å; S146-I150 PolarHBondContact O-N 3.47Å; S146-I150 WeakPolarHBondContact OG-CD1 3.5Å
147	R	96.1	Very high	96.2	Very high	26 Å²	26	41.9 Å²	41.9	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-49.5	177	-174.1	175.6	-166.4	75.2	-1.4	112.6	L143 H144 W145 I150 F151 T206 V209 D214 W218	L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 PolarHBondContact O-N 2.99Å; H144-R147 PolarHBondContact O-N 3.13Å; W145-R147 PolarHBondContact O-N 3.45Å; R147-I150 PolarHBondContact O-N 3.43Å; R147-F151 HydrophobicContact CG-CD2 4.07Å; R147-F151 HydrophobicContact CG-CE2 3.95Å; R147-F151 WeakPolarHBondContact O-CD2 3.15Å; R147-F151 PolarHBondContact O-N 3.05Å; R147-T206 HydrophobicContact CB-CG2 3.93Å; R147-T206 HydrophobicContact CG-CG2 3.92Å; R147-T206 PolarHBondContact NH1-O 3.36Å; R147-V209 PolarHBondContact NH1-O 3.01Å; R147-V209 PolarHBondContact NH2-O 2.79Å; R147-D214 IonicContact CZ-OD1 3.33Å; R147-D214 VanDerWaalsContact CZ-OD1 3.31Å; R147-D214 IonicContact NE-OD1 2.75Å; R147-D214 PolarHBondContact NE-OD1 2.88Å; R147-D214 IonicContact NH2-OD1 2.75Å; R147-D214 PolarHBondContact NH2-OD1 3.18Å; R147-D214 IonicContact NH2-OD2 2.67Å; R147-D214 PolarHBondContact NH2-OD2 3.06Å; R147-W218 HydrophobicContact CG-CH2 4.19Å; R147-W218 HydrophobicContact CG-CZ3 3.84Å
148	H	96.5	Very high	96.5	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-48.6	178.5	172.6	79	0	0	0	111.8	Q99 H144 W145 I150 F151 L152 W218	Q99-H148 PolarHBondContact OE1-NE2 3.42Å; H144-H148 PolarHBondContact O-N 3.2Å; W145-H148 HydrophobicContact CE3-CB 4.44Å; W145-H148 AromaticContact CE3-CD2 3.82Å; W145-H148 AromaticContact CZ3-CD2 3.67Å; W145-H148 PolarHBondContact O-N 3.14Å; H148-I150 VanDerWaalsContact C-N 3.32Å; H148-I150 PolarHBondContact O-N 3.25Å; H148-F151 PolarHBondContact O-N 2.93Å; H148-L152 PolarHBondContact O-N 3.03Å; H148-W218 HydrophobicContact CB-CH2 4.34Å; H148-W218 HydrophobicContact CB-CZ2 4.35Å
149	N	97.9	Very high	96.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-37.1	179.6	-67.3	-14	0	0	0	111.6	W91 L128 V132 W145 S146 L152 L153	W91-N149 PolarHBondContact NE1-ND2 3.1Å; W91-N149 PolarHBondContact NE1-OD1 3.22Å; L128-N149 VanDerWaalsContact O-CB 3.3Å; L128-N149 WeakPolarHBondContact O-CB 3.36Å; L128-N149 PolarHBondContact O-ND2 3.08Å; V132-N149 WeakPolarHBondContact CG2-ND2 3.4Å; W145-N149 WeakPolarHBondContact O-CB 3.5Å; W145-N149 PolarHBondContact O-N 2.83Å; W145-N149 PolarHBondContact O-ND2 3.14Å; S146-N149 PolarHBondContact O-N 3.45Å; N149-L152 PolarHBondContact O-N 3.24Å; N149-L153 WeakPolarHBondContact O-CB 3.5Å; N149-L153 WeakPolarHBondContact O-CG 3.09Å; N149-L153 PolarHBondContact O-N 3.45Å
150	I	98.1	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-43.7	178.2	-78	162.3	0	0	0	112.2	A129 S146 R147 H148 L153 Y154 L202 M203 T206 V207	A129-I150 HydrophobicContact CB-CG1 4.36Å; S146-I150 VanDerWaalsContact O-CB 3.29Å; S146-I150 WeakPolarHBondContact O-CB 3.4Å; S146-I150 VanDerWaalsContact O-CD1 3.3Å; S146-I150 WeakPolarHBondContact O-CD1 3.38Å; S146-I150 WeakPolarHBondContact O-CG1 3.48Å; S146-I150 PolarHBondContact O-N 3.47Å; S146-I150 WeakPolarHBondContact OG-CD1 3.5Å; R147-I150 PolarHBondContact O-N 3.43Å; H148-I150 VanDerWaalsContact C-N 3.32Å; H148-I150 PolarHBondContact O-N 3.25Å; I150-L153 PolarHBondContact O-N 2.95Å; I150-Y154 WeakPolarHBondContact O-CB 3.49Å; I150-Y154 PolarHBondContact O-N 3.41Å; I150-L202 HydrophobicContact CD1-CB 3.96Å; I150-M203 HydrophobicContact CG2-CB 4.35Å; I150-M203 HydrophobicContact CG2-CG 4.22Å; I150-T206 HydrophobicContact CD1-CG2 3.95Å; I150-T206 WeakPolarHBondContact CD1-OG1 3.29Å; I150-T206 HydrophobicContact CG2-CG2 4.46Å; I150-V207 HydrophobicContact CG2-CG2 3.74Å
151	F	97.6	Very high	96.6	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-41.4	173.5	-81.6	-73.5	0	0	0	111.4	R147 H148 Y154 D155 V207 W218 A221	R147-F151 HydrophobicContact CG-CD2 4.07Å; R147-F151 HydrophobicContact CG-CE2 3.95Å; R147-F151 WeakPolarHBondContact O-CD2 3.15Å; R147-F151 PolarHBondContact O-N 3.05Å; H148-F151 PolarHBondContact O-N 2.93Å; F151-Y154 PolarHBondContact O-N 2.97Å; F151-D155 WeakPolarHBondContact O-CB 3.26Å; F151-D155 VanDerWaalsContact O-CG 3.28Å; F151-D155 PolarHBondContact O-N 3.37Å; F151-V207 HydrophobicContact CD1-CG2 4.44Å; F151-V207 HydrophobicContact CE1-CG1 4.04Å; F151-V207 HydrophobicContact CE1-CG2 4.07Å; F151-V207 HydrophobicContact CZ-CB 4.5Å; F151-V207 HydrophobicContact CZ-CG1 4.23Å; F151-V207 HydrophobicContact CZ-CG2 4.16Å; F151-W218 HydrophobicContact CB-CD2 4.41Å; F151-W218 HydrophobicContact CB-CG 4.43Å; F151-W218 HydrophobicContact CB-CZ2 4.34Å; F151-W218 HydrophobicContact CD1-CB 4.06Å; F151-W218 AromaticContact CD1-CD1 3.77Å; F151-W218 HydrophobicContact CD1-CD2 4.38Å; F151-W218 AromaticContact CD1-CG 3.84Å; F151-W218 HydrophobicContact CD1-CG 3.84Å; F151-W218 HydrophobicContact CD2-CB 4.4Å; F151-W218 AromaticContact CD2-CD2 3.43Å; F151-W218 HydrophobicContact CD2-CD2 3.43Å; F151-W218 VanDerWaalsContact CD2-CD2 3.43Å; F151-W218 AromaticContact CD2-CE2 3.6Å; F151-W218 AromaticContact CD2-CE3 3.71Å; F151-W218 HydrophobicContact CD2-CE3 3.71Å; F151-W218 AromaticContact CD2-CG 3.77Å; F151-W218 HydrophobicContact CD2-CG 3.77Å; F151-W218 HydrophobicContact CD2-CH2 4.28Å; F151-W218 HydrophobicContact CD2-CZ2 4.04Å; F151-W218 HydrophobicContact CD2-CZ3 4.13Å; F151-W218 AromaticContact CD2-NE1 3.98Å; F151-W218 HydrophobicContact CE1-CB 3.72Å; F151-W218 AromaticContact CE1-CG 3.98Å; F151-W218 HydrophobicContact CE1-CG 3.98Å; F151-W218 WeakPolarHBondContact CE1-O 3.4Å; F151-W218 HydrophobicContact CE2-CB 4.08Å; F151-W218 AromaticContact CE2-CD2 3.68Å; F151-W218 HydrophobicContact CE2-CD2 3.68Å; F151-W218 AromaticContact CE2-CE3 3.64Å; F151-W218 HydrophobicContact CE2-CE3 3.64Å; F151-W218 AromaticContact CE2-CG 3.91Å; F151-W218 HydrophobicContact CE2-CG 3.91Å; F151-W218 HydrophobicContact CE2-CZ3 4.26Å; F151-W218 HydrophobicContact CG-CB 4.4Å; F151-W218 AromaticContact CG-CD1 3.64Å; F151-W218 AromaticContact CG-CD2 3.83Å; F151-W218 HydrophobicContact CG-CD2 3.83Å; F151-W218 AromaticContact CG-CE2 3.79Å; F151-W218 AromaticContact CG-CG 3.75Å; F151-W218 HydrophobicContact CG-CG 3.75Å; F151-W218 HydrophobicContact CG-CZ2 4.47Å; F151-W218 AromaticContact CG-NE1 3.67Å; F151-W218 HydrophobicContact CZ-CB 3.73Å; F151-W218 HydrophobicContact CZ-CD2 4.26Å; F151-W218 HydrophobicContact CZ-CE3 4.42Å; F151-W218 HydrophobicContact CZ-CG 4.02Å; F151-A221 HydrophobicContact CD1-CB 4.17Å; F151-A221 HydrophobicContact CE1-CB 4.24Å
152	L	97.6	Very high	96.6	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-45.6	174.4	174	65.4	0	0	0	112.6	W91 Q99 R100 V103 H148 N149 Y154 D155 M156	W91-L152 HydrophobicContact CH2-CD2 4.11Å; W91-L152 HydrophobicContact CZ2-CD2 3.88Å; Q99-L152 HydrophobicContact CB-CD2 3.72Å; R100-L152 HydrophobicContact CB-CD1 4.45Å; R100-L152 HydrophobicContact CG-CD1 3.47Å; R100-L152 VanDerWaalsContact CG-CD1 3.47Å; V103-L152 HydrophobicContact CG2-CD2 3.98Å; V103-L152 HydrophobicContact CG2-CG 4.26Å; H148-L152 PolarHBondContact O-N 3.03Å; N149-L152 PolarHBondContact O-N 3.24Å; L152-Y154 VanDerWaalsContact C-N 3.31Å; L152-Y154 PolarHBondContact O-N 2.85Å; L152-D155 PolarHBondContact O-N 3.41Å; L152-M156 HydrophobicContact CD1-CG 4.11Å; L152-M156 WeakPolarHBondContact O-CB 3.28Å; L152-M156 WeakPolarHBondContact O-CG 3.43Å; L152-M156 PolarHBondContact O-N 2.97Å; L152-M156 VanDerWaalsContact O-N 3.09Å
153	L	98.3	Very high	96.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-39.6	177.7	-70.3	168	0	0	0	110.9	V103 I125 L128 A129 N149 I150 M156 G157 I158 M203	V103-L153 HydrophobicContact CG1-CD2 3.87Å; V103-L153 HydrophobicContact CG2-CD2 4.15Å; I125-L153 HydrophobicContact CG2-CD1 4.18Å; I125-L153 HydrophobicContact CG2-CD2 4.03Å; L128-L153 HydrophobicContact CB-CD1 4.5Å; A129-L153 HydrophobicContact CB-CD1 4.09Å; N149-L153 WeakPolarHBondContact O-CB 3.5Å; N149-L153 WeakPolarHBondContact O-CG 3.09Å; N149-L153 PolarHBondContact O-N 3.45Å; I150-L153 PolarHBondContact O-N 2.95Å; L153-M156 PolarHBondContact O-N 3.03Å; L153-G157 PolarHBondContact O-N 2.9Å; L153-I158 HydrophobicContact CB-CB 4.19Å; L153-I158 HydrophobicContact CB-CG1 4.15Å; L153-I158 HydrophobicContact CD2-CB 4.49Å; L153-I158 HydrophobicContact CD2-CD1 4.37Å; L153-I158 HydrophobicContact CD2-CG1 3.83Å; L153-I158 HydrophobicContact CD2-CG2 4.44Å; L153-I158 WeakPolarHBondContact O-CB 3.38Å; L153-I158 VanDerWaalsContact O-CG1 3.25Å; L153-I158 WeakPolarHBondContact O-CG1 3.15Å; L153-I158 PolarHBondContact O-N 2.88Å; L153-I158 VanDerWaalsContact O-N 3.08Å; L153-M203 HydrophobicContact CB-CE 4.42Å
154	Y	97.5	Very high	96.3	Very high	26 Å²	26	28.5 Å²	28.5	10%	0.102	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-51.2	174.4	-179.9	-109.2	0	0	0	112.1	I150 F151 L152 M156 G157 F159 M203 A221 F225 E228	I150-Y154 WeakPolarHBondContact O-CB 3.49Å; I150-Y154 PolarHBondContact O-N 3.41Å; F151-Y154 PolarHBondContact O-N 2.97Å; L152-Y154 VanDerWaalsContact C-N 3.31Å; L152-Y154 PolarHBondContact O-N 2.85Å; Y154-M156 PolarHBondContact O-N 3.28Å; Y154-M156 VanDerWaalsContact O-N 3.14Å; Y154-G157 PolarHBondContact O-N 3Å; Y154-F159 HydrophobicContact CD2-CB 4.32Å; Y154-M203 HydrophobicContact CD2-CE 4.22Å; Y154-A221 HydrophobicContact CD1-CB 4.17Å; Y154-A221 HydrophobicContact CE1-CB 4.15Å; Y154-F225 AromaticContact CD2-CD2 3.92Å; Y154-F225 HydrophobicContact CD2-CD2 3.92Å; Y154-F225 HydrophobicContact CD2-CE2 4.22Å; Y154-F225 HydrophobicContact CD2-CG 4.19Å; Y154-F225 HydrophobicContact CE1-CB 4.08Å; Y154-F225 HydrophobicContact CE2-CB 3.91Å; Y154-F225 AromaticContact CE2-CD2 3.31Å; Y154-F225 HydrophobicContact CE2-CD2 3.31Å; Y154-F225 AromaticContact CE2-CE2 3.94Å; Y154-F225 HydrophobicContact CE2-CE2 3.94Å; Y154-F225 AromaticContact CE2-CG 3.74Å; Y154-F225 HydrophobicContact CE2-CG 3.74Å; Y154-F225 AromaticContact CZ-CD2 3.91Å; Y154-F225 WeakPolarHBondContact OH-CA 3.21Å; Y154-F225 PolarHBondContact OH-N 2.86Å; Y154-E228 VanDerWaalsContact CE2-OE2 3.23Å; Y154-E228 WeakPolarHBondContact CE2-OE2 3.32Å; Y154-E228 PolarHBondContact OH-OE2 3.06Å
155	D	96	Very high	96.3	Very high	80 Å²	80	24.2 Å²	24.2	43%	0.428	13%	0.13	S	C	.	.	H	α-helix	trans	-58.3	-27.9	179	-72.5	-9.8	0	0	0	112.8	F151 L152	F151-D155 WeakPolarHBondContact O-CB 3.26Å; F151-D155 VanDerWaalsContact O-CG 3.28Å; F151-D155 PolarHBondContact O-N 3.37Å; L152-D155 PolarHBondContact O-N 3.41Å
156	M	96.8	Very high	96.2	Very high	53 Å²	53	21.9 Å²	21.9	26%	0.261	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.4	176.4	-61.1	-67.8	90.3	0	0	114	R100 V103 L107 L152 L153 Y154 I158	R100-M156 HydrophobicContact CB-SD 3.91Å; R100-M156 HydrophobicContact CG-CE 4.11Å; R100-M156 HydrophobicContact CG-SD 3.8Å; V103-M156 HydrophobicContact CB-CG 4.2Å; V103-M156 HydrophobicContact CG1-CB 3.61Å; V103-M156 HydrophobicContact CG1-CG 3.7Å; L107-M156 WeakPolarHBondContact CD2-O 3.47Å; L152-M156 HydrophobicContact CD1-CG 4.11Å; L152-M156 WeakPolarHBondContact O-CB 3.28Å; L152-M156 WeakPolarHBondContact O-CG 3.43Å; L152-M156 PolarHBondContact O-N 2.97Å; L152-M156 VanDerWaalsContact O-N 3.09Å; L153-M156 PolarHBondContact O-N 3.03Å; Y154-M156 PolarHBondContact O-N 3.28Å; Y154-M156 VanDerWaalsContact O-N 3.14Å; M156-I158 PolarHBondContact O-N 3.44Å
157	G	95.3	Very high	96	Very high	29 Å²	29	22 Å²	22	30%	0.299	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	12.2	174.6	0	0	0	0	0	115.6	L153 Y154 F159 T160 A161	L153-G157 PolarHBondContact O-N 2.9Å; Y154-G157 PolarHBondContact O-N 3Å; G157-F159 PolarHBondContact O-N 3Å; G157-T160 PolarHBondContact O-N 3.33Å; G157-T160 VanDerWaalsContact O-N 3.17Å; G157-A161 PolarHBondContact O-N 3.32Å
158	I	97.4	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-32.4	-177.3	-62.7	-77.2	0	0	0	111.6	V103 L107 I125 L153 M156 T160 A161 L162	V103-I158 HydrophobicContact CG1-CD1 4.01Å; V103-I158 HydrophobicContact CG1-CG1 3.96Å; L107-I158 HydrophobicContact CB-CD1 3.97Å; L107-I158 HydrophobicContact CD1-CD1 4.17Å; I125-I158 HydrophobicContact CD1-CD1 4.27Å; I125-I158 HydrophobicContact CG2-CG2 4.12Å; L153-I158 HydrophobicContact CB-CB 4.19Å; L153-I158 HydrophobicContact CB-CG1 4.15Å; L153-I158 HydrophobicContact CD2-CB 4.49Å; L153-I158 HydrophobicContact CD2-CD1 4.37Å; L153-I158 HydrophobicContact CD2-CG1 3.83Å; L153-I158 HydrophobicContact CD2-CG2 4.44Å; L153-I158 WeakPolarHBondContact O-CB 3.38Å; L153-I158 VanDerWaalsContact O-CG1 3.25Å; L153-I158 WeakPolarHBondContact O-CG1 3.15Å; L153-I158 PolarHBondContact O-N 2.88Å; L153-I158 VanDerWaalsContact O-N 3.08Å; M156-I158 PolarHBondContact O-N 3.44Å; I158-T160 VanDerWaalsContact C-N 3.34Å; I158-T160 PolarHBondContact O-N 2.97Å; I158-A161 PolarHBondContact O-N 3.12Å; I158-L162 HydrophobicContact CG2-CD1 3.75Å; I158-L162 HydrophobicContact CG2-CG 4.02Å; I158-L162 WeakPolarHBondContact O-CB 3.11Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.04Å
159	F	96.3	Very high	95.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-41.9	178.5	-174	-98.5	0	0	0	112.6	Y154 G157 L162 L163 M200 M203 F225 E228 L229 L233 F239	Y154-F159 HydrophobicContact CD2-CB 4.32Å; G157-F159 PolarHBondContact O-N 3Å; F159-L162 PolarHBondContact O-N 3.3Å; F159-L163 WeakPolarHBondContact O-CB 3.12Å; F159-L163 PolarHBondContact O-N 3.28Å; F159-M200 HydrophobicContact CD2-CE 4.09Å; F159-M200 HydrophobicContact CE1-CE 4.41Å; F159-M200 HydrophobicContact CE2-CB 4.44Å; F159-M200 HydrophobicContact CE2-CE 3.47Å; F159-M200 VanDerWaalsContact CE2-CE 3.47Å; F159-M200 HydrophobicContact CE2-CG 4.26Å; F159-M200 HydrophobicContact CZ-CE 3.64Å; F159-M203 HydrophobicContact CB-CE 3.85Å; F159-M203 HydrophobicContact CB-SD 4.34Å; F159-M203 HydrophobicContact CD2-CE 4.48Å; F159-M203 HydrophobicContact CD2-SD 4.2Å; F159-F225 HydrophobicContact CB-CE2 4.46Å; F159-F225 AromaticContact CD1-CE2 3.76Å; F159-F225 HydrophobicContact CD1-CE2 3.76Å; F159-F225 AromaticContact CD2-CE2 3.74Å; F159-F225 HydrophobicContact CD2-CE2 3.74Å; F159-F225 AromaticContact CD2-CZ 3.71Å; F159-F225 HydrophobicContact CD2-CZ 3.71Å; F159-F225 AromaticContact CE1-CE2 3.89Å; F159-F225 HydrophobicContact CE1-CE2 3.89Å; F159-F225 AromaticContact CE2-CE2 3.86Å; F159-F225 HydrophobicContact CE2-CE2 3.86Å; F159-F225 AromaticContact CE2-CZ 3.75Å; F159-F225 HydrophobicContact CE2-CZ 3.75Å; F159-F225 AromaticContact CG-CE2 3.7Å; F159-F225 HydrophobicContact CG-CE2 3.7Å; F159-F225 HydrophobicContact CG-CZ 4.14Å; F159-F225 AromaticContact CZ-CE2 3.95Å; F159-F225 HydrophobicContact CZ-CE2 3.95Å; F159-F225 HydrophobicContact CZ-CZ 4.22Å; F159-E228 WeakPolarHBondContact CD1-OE1 3.35Å; F159-L229 HydrophobicContact CE1-CD2 3.84Å; F159-L229 HydrophobicContact CE2-CD2 4.22Å; F159-L229 HydrophobicContact CZ-CD2 3.42Å; F159-L229 VanDerWaalsContact CZ-CD2 3.42Å; F159-L233 HydrophobicContact CE1-CD1 4.45Å; F159-F239 HydrophobicContact CZ-CD1 4.22Å; F159-F239 HydrophobicContact CZ-CE1 4.21Å; F159-F239 HydrophobicContact CZ-CG 4.36Å; F159-F239 HydrophobicContact CZ-CZ 4.37Å
160	T	93.9	Very high	95.3	Very high	69 Å²	69	26.5 Å²	26.5	42%	0.423	15%	0.145	S	C	.	.	H	α-helix	trans	-64.7	-45.9	179	-44.4	0	0	0	0	111.1	G157 I158 L162 L163 E164	G157-T160 PolarHBondContact O-N 3.33Å; G157-T160 VanDerWaalsContact O-N 3.17Å; I158-T160 VanDerWaalsContact C-N 3.34Å; I158-T160 PolarHBondContact O-N 2.97Å; T160-L162 PolarHBondContact O-N 3.16Å; T160-L163 WeakPolarHBondContact O-CB 3.46Å; T160-L163 PolarHBondContact O-N 3.37Å; T160-L163 VanDerWaalsContact O-N 3.14Å; T160-E164 PolarHBondContact O-N 3.45Å; T160-E164 VanDerWaalsContact O-N 3.14Å
161	A	95	Very high	94.9	Very high	20 Å²	20	31.4 Å²	31.4	17%	0.165	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-40.8	175.3	0	0	0	0	0	112.5	L107 L110 G157 I158 L163 E164 L165	L107-A161 HydrophobicContact CD1-CB 3.56Å; L110-A161 HydrophobicContact CD1-CB 4.37Å; G157-A161 PolarHBondContact O-N 3.32Å; I158-A161 PolarHBondContact O-N 3.12Å; A161-L163 VanDerWaalsContact C-N 3.31Å; A161-L163 PolarHBondContact O-N 2.93Å; A161-E164 PolarHBondContact O-N 2.61Å; A161-L165 WeakPolarHBondContact O-CB 3.33Å; A161-L165 VanDerWaalsContact O-CG 3.28Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.19Å
162	L	96.1	Very high	94.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-34.6	174.6	-68.6	171.4	0	0	0	112.6	I158 F159 T160 L166 L196 I199 M200 M203	I158-L162 HydrophobicContact CG2-CD1 3.75Å; I158-L162 HydrophobicContact CG2-CG 4.02Å; I158-L162 WeakPolarHBondContact O-CB 3.11Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.04Å; F159-L162 PolarHBondContact O-N 3.3Å; T160-L162 PolarHBondContact O-N 3.16Å; L162-L166 WeakPolarHBondContact O-CB 3.36Å; L162-L166 PolarHBondContact O-N 3.09Å; L162-L196 HydrophobicContact CD2-CD2 3.41Å; L162-L196 VanDerWaalsContact CD2-CD2 3.41Å; L162-I199 HydrophobicContact CD1-CB 3.88Å; L162-I199 HydrophobicContact CD1-CD1 4.42Å; L162-I199 HydrophobicContact CD1-CG2 3.48Å; L162-I199 VanDerWaalsContact CD1-CG2 3.48Å; L162-I199 HydrophobicContact CD2-CD1 3.85Å; L162-M200 HydrophobicContact CB-CE 4.36Å; L162-M200 HydrophobicContact CB-CG 4.06Å; L162-M200 HydrophobicContact CB-SD 4.18Å; L162-M200 HydrophobicContact CD1-CG 4.1Å; L162-M203 HydrophobicContact CD1-SD 4.16Å
163	L	94.7	Very high	93.8	Very high	10 Å²	10	37 Å²	37	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-40.9	177.5	-178.7	60.4	0	0	0	112	F159 T160 A161 S167 M200 L233 F239 L242	F159-L163 WeakPolarHBondContact O-CB 3.12Å; F159-L163 PolarHBondContact O-N 3.28Å; T160-L163 WeakPolarHBondContact O-CB 3.46Å; T160-L163 PolarHBondContact O-N 3.37Å; T160-L163 VanDerWaalsContact O-N 3.14Å; A161-L163 VanDerWaalsContact C-N 3.31Å; A161-L163 PolarHBondContact O-N 2.93Å; L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 3.17Å; L163-S167 PolarHBondContact O-OG 3.33Å; L163-M200 HydrophobicContact CB-CE 4.12Å; L163-M200 HydrophobicContact CD1-CE 4.26Å; L163-L233 HydrophobicContact CD2-CB 4.18Å; L163-L233 HydrophobicContact CD2-CD1 4.32Å; L163-F239 HydrophobicContact CD1-CD2 3.58Å; L163-F239 HydrophobicContact CD1-CE2 3.7Å; L163-L242 HydrophobicContact CD1-CD2 3.6Å
164	E	92.4	Very high	93.2	Very high	95 Å²	95	44.4 Å²	44.4	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-66.8	-47	174.9	-67.5	-178.5	-177.8	0	0	111.6	T160 A161 L166 S167 M168 Y234	T160-E164 PolarHBondContact O-N 3.45Å; T160-E164 VanDerWaalsContact O-N 3.14Å; A161-E164 PolarHBondContact O-N 2.61Å; E164-L166 PolarHBondContact O-N 3.26Å; E164-S167 PolarHBondContact O-N 3.3Å; E164-M168 PolarHBondContact O-N 2.75Å; E164-Y234 HydrophobicContact CG-CD2 4.4Å; E164-Y234 HydrophobicContact CG-CE2 4Å
165	L	94	Very high	92.5	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-44	174.8	-70.3	169.7	0	0	0	112.1	L110 A161 M168 E169 L196	L110-L165 HydrophobicContact CB-CD1 4.33Å; L110-L165 HydrophobicContact CD1-CD1 4.14Å; L110-L165 HydrophobicContact CD2-CD1 4Å; L110-L165 HydrophobicContact CG-CD1 4.4Å; A161-L165 WeakPolarHBondContact O-CB 3.33Å; A161-L165 VanDerWaalsContact O-CG 3.28Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.19Å; L165-M168 HydrophobicContact CD2-CE 3.9Å; L165-M168 PolarHBondContact O-N 2.78Å; L165-E169 PolarHBondContact O-N 3.04Å; L165-L196 HydrophobicContact CB-CD1 4Å; L165-L196 HydrophobicContact CB-CD2 4.06Å; L165-L196 HydrophobicContact CD1-CD2 4.13Å
166	L	95.1	Very high	91.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-43	176.9	176.9	62.7	0	0	0	111.1	L162 E164 E169 I170 L193 L197 M200 F239 L242 M246	L162-L166 WeakPolarHBondContact O-CB 3.36Å; L162-L166 PolarHBondContact O-N 3.09Å; E164-L166 PolarHBondContact O-N 3.26Å; L166-E169 PolarHBondContact O-N 3.15Å; L166-I170 HydrophobicContact CD1-CD1 3.95Å; L166-I170 HydrophobicContact CD1-CG1 4.17Å; L166-I170 HydrophobicContact CD2-CD1 4.38Å; L166-I170 HydrophobicContact CG-CD1 3.72Å; L166-I170 HydrophobicContact CG-CG1 4.38Å; L166-I170 VanDerWaalsContact O-CB 3.32Å; L166-I170 WeakPolarHBondContact O-CB 3.25Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.08Å; L166-I170 PolarHBondContact O-N 2.86Å; L166-L193 HydrophobicContact CD1-CD2 3.79Å; L166-L197 HydrophobicContact CD1-CD2 4.01Å; L166-L197 HydrophobicContact CD1-CG 4.21Å; L166-L197 HydrophobicContact CD2-CD2 4Å; L166-M200 HydrophobicContact CB-SD 4.41Å; L166-M200 HydrophobicContact CD2-CE 4.33Å; L166-M200 HydrophobicContact CD2-SD 3.66Å; L166-F239 HydrophobicContact CD2-CE2 4.17Å; L166-F239 HydrophobicContact CD2-CZ 4.49Å; L166-L242 HydrophobicContact CD2-CD2 4.34Å; L166-M246 HydrophobicContact CD1-CE 4.28Å; L166-M246 HydrophobicContact CD1-SD 4.35Å
167	S	93	Very high	91.2	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.2	-61.9	0	0	0	0	112	L163 E164 I170 D171 Y234	L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 3.17Å; L163-S167 PolarHBondContact O-OG 3.33Å; E164-S167 PolarHBondContact O-N 3.3Å; S167-I170 PolarHBondContact O-N 3.45Å; S167-D171 PolarHBondContact O-N 3.04Å; S167-Y234 WeakPolarHBondContact OG-CD1 3.36Å
168	M	91.3	Very high	90.8	Very high	113 Å²	113	44 Å²	44	56%	0.557	25%	0.252	S	S	*	.	H	α-helix	trans	-61.6	-43.8	174.9	-74.2	-169.7	-75.3	0	0	112.7	E164 L165 D171 N172	E164-M168 PolarHBondContact O-N 2.75Å; L165-M168 HydrophobicContact CD2-CE 3.9Å; L165-M168 PolarHBondContact O-N 2.78Å; M168-D171 PolarHBondContact O-N 2.76Å; M168-N172 PolarHBondContact O-N 3.22Å
169	E	91.9	Very high	90.1	Very high	17 Å²	17	44.2 Å²	44.2	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-74.9	-26.8	179.9	-169.2	62.1	-174.5	0	0	112.6	R115 L165 L166 D171 N172 L193	R115-E169 IonicContact CZ-OE1 2.76Å; R115-E169 VanDerWaalsContact NH2-CD 3.28Å; R115-E169 IonicContact NH2-OE1 3.3Å; R115-E169 PolarHBondContact NH2-OE1 3.14Å; R115-E169 IonicContact NH2-OE2 3.49Å; R115-E169 PolarHBondContact NH2-OE2 3.41Å; L165-E169 PolarHBondContact O-N 3.04Å; L166-E169 PolarHBondContact O-N 3.15Å; E169-D171 PolarHBondContact O-N 3.01Å; E169-N172 VanDerWaalsContact O-CB 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.46Å; E169-N172 PolarHBondContact O-N 2.82Å; E169-N172 PolarHBondContact OE1-ND2 3.26Å; E169-N172 WeakPolarHBondContact OE2-CB 3.27Å; E169-N172 PolarHBondContact OE2-ND2 3.32Å; E169-L193 HydrophobicContact CB-CD2 3.84Å; E169-L193 HydrophobicContact CB-CG 4.46Å; E169-L193 HydrophobicContact CG-CD1 4.35Å; E169-L193 HydrophobicContact CG-CD2 3.56Å; E169-L193 HydrophobicContact CG-CG 3.63Å
170	I	92.6	Very high	89.5	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-27.9	171	-80.5	168.5	0	0	0	112.7	L166 S167 L242 M246 K249 F258	L166-I170 HydrophobicContact CD1-CD1 3.95Å; L166-I170 HydrophobicContact CD1-CG1 4.17Å; L166-I170 HydrophobicContact CD2-CD1 4.38Å; L166-I170 HydrophobicContact CG-CD1 3.72Å; L166-I170 HydrophobicContact CG-CG1 4.38Å; L166-I170 VanDerWaalsContact O-CB 3.32Å; L166-I170 WeakPolarHBondContact O-CB 3.25Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.08Å; L166-I170 PolarHBondContact O-N 2.86Å; S167-I170 PolarHBondContact O-N 3.45Å; I170-L242 HydrophobicContact CD1-CD1 3.77Å; I170-L242 HydrophobicContact CD1-CD2 4.22Å; I170-L242 HydrophobicContact CD1-CG 3.93Å; I170-M246 HydrophobicContact CD1-CE 4.1Å; I170-M246 HydrophobicContact CD1-CG 3.5Å; I170-M246 VanDerWaalsContact CD1-CG 3.5Å; I170-M246 HydrophobicContact CD1-SD 3.57Å; I170-M246 VanDerWaalsContact CD1-SD 3.57Å; I170-M246 HydrophobicContact CG1-CE 3.83Å; I170-M246 HydrophobicContact CG1-CG 3.85Å; I170-M246 HydrophobicContact CG1-SD 3.99Å; I170-K249 HydrophobicContact CG2-CD 4.27Å; I170-K249 PolarHBondContact O-NZ 3Å; I170-F258 HydrophobicContact CB-CZ 4.42Å; I170-F258 HydrophobicContact CG1-CZ 4.25Å
171	D	89.3	Confident	89	Confident	104 Å²	104	54.9 Å²	54.9	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	8.6	177.7	-71.2	-35.4	0	0	0	113.3	S167 M168 E169 S173 K249	S167-D171 PolarHBondContact O-N 3.04Å; M168-D171 PolarHBondContact O-N 2.76Å; E169-D171 PolarHBondContact O-N 3.01Å; D171-S173 PolarHBondContact O-N 2.68Å; D171-S173 PolarHBondContact O-OG 3.37Å; D171-K249 IonicContact OD1-NZ 2.96Å; D171-K249 PolarHBondContact OD1-NZ 2.94Å
172	N	89.1	Confident	88.4	Confident	37 Å²	37	57.4 Å²	57.4	20%	0.198	30%	0.303	C	S	.	.			trans	-67.9	88.1	177.9	-170.4	-18.3	0	0	0	112.5	M168 E169 Q174 A175 C176	M168-N172 PolarHBondContact O-N 3.22Å; E169-N172 VanDerWaalsContact O-CB 3.3Å; E169-N172 WeakPolarHBondContact O-CB 3.46Å; E169-N172 PolarHBondContact O-N 2.82Å; E169-N172 PolarHBondContact OE1-ND2 3.26Å; E169-N172 WeakPolarHBondContact OE2-CB 3.27Å; E169-N172 PolarHBondContact OE2-ND2 3.32Å; N172-Q174 PolarHBondContact O-N 3.42Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.17Å; N172-Q174 PolarHBondContact OD1-N 2.93Å; N172-Q174 VanDerWaalsContact OD1-N 3.12Å; N172-A175 HydrophobicContact CB-CB 4.11Å; N172-A175 PolarHBondContact O-N 2.91Å; N172-A175 PolarHBondContact OD1-N 2.93Å; N172-C176 PolarHBondContact O-N 3.2Å; N172-C176 VanDerWaalsContact O-N 3.14Å
173	S	83.7	Confident	87.4	Confident	88 Å²	88	64 Å²	64	62%	0.615	35%	0.346	S	S	*	.	H	α-helix	trans	-63.4	-22.9	179.9	-65.1	0	0	0	0	113.5	D171 S177	D171-S173 PolarHBondContact O-N 2.68Å; D171-S173 PolarHBondContact O-OG 3.37Å; S173-S177 VanDerWaalsContact O-CB 3.32Å; S173-S177 WeakPolarHBondContact O-CB 3.3Å; S173-S177 PolarHBondContact O-N 3.35Å; S173-S177 PolarHBondContact O-OG 2.8Å
174	Q	84.8	Confident	86.8	Confident	157 Å²	157	66.5 Å²	66.5	73%	0.734	37%	0.368	S	S	*	.	H	α-helix	trans	-75.5	-45.9	176.3	-60.4	-175	8.9	0	0	111.2	N172 C176 S177 S178	N172-Q174 PolarHBondContact O-N 3.42Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.17Å; N172-Q174 PolarHBondContact OD1-N 2.93Å; N172-Q174 VanDerWaalsContact OD1-N 3.12Å; Q174-C176 VanDerWaalsContact C-N 3.33Å; Q174-C176 PolarHBondContact O-N 2.95Å; Q174-S177 PolarHBondContact O-N 3.12Å; Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 3.42Å
175	A	82.9	Confident	86.5	Confident	19 Å²	19	62.7 Å²	62.7	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-44.9	174.4	0	0	0	0	0	111.2	N172 S178 A179	N172-A175 HydrophobicContact CB-CB 4.11Å; N172-A175 PolarHBondContact O-N 2.91Å; N172-A175 PolarHBondContact OD1-N 2.93Å; A175-S178 PolarHBondContact O-N 3.32Å; A175-A179 WeakPolarHBondContact O-CB 3.46Å; A175-A179 PolarHBondContact O-N 3.26Å
176	C	83.3	Confident	86.2	Confident	29 Å²	29	62.3 Å²	62.3	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-55.9	-53.5	171.2	172.2	0	0	0	0	112.6	N172 Q174 S178 A179 V180 N254	N172-C176 PolarHBondContact O-N 3.2Å; N172-C176 VanDerWaalsContact O-N 3.14Å; Q174-C176 VanDerWaalsContact C-N 3.33Å; Q174-C176 PolarHBondContact O-N 2.95Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 3.3Å; C176-A179 PolarHBondContact O-N 3.24Å; C176-V180 WeakPolarHBondContact O-CG2 3.39Å; C176-V180 PolarHBondContact O-N 2.81Å; C176-N254 PolarHBondContact SG-O 2.95Å
177	S	84	Confident	85.9	Confident	55 Å²	55	63.2 Å²	63.2	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-36	-177.6	-65	0	0	0	0	113.2	S173 Q174 R181	S173-S177 VanDerWaalsContact O-CB 3.32Å; S173-S177 WeakPolarHBondContact O-CB 3.3Å; S173-S177 PolarHBondContact O-N 3.35Å; S173-S177 PolarHBondContact O-OG 2.8Å; Q174-S177 PolarHBondContact O-N 3.12Å; S177-R181 WeakPolarHBondContact O-CD 3.43Å; S177-R181 VanDerWaalsContact O-CG 3.28Å; S177-R181 WeakPolarHBondContact O-CG 3.32Å
178	S	85.1	Confident	85.6	Confident	77 Å²	77	64.3 Å²	64.3	54%	0.538	36%	0.363	S	S	.	.	H	α-helix	trans	-70.8	-47.9	175.2	-64.7	0	0	0	0	111.6	Q174 A175 C176 V180 R181 K182	Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 3.42Å; A175-S178 PolarHBondContact O-N 3.32Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 3.3Å; S178-V180 PolarHBondContact O-N 3.29Å; S178-R181 PolarHBondContact O-N 3.49Å; S178-R181 VanDerWaalsContact O-N 3.13Å; S178-K182 PolarHBondContact O-N 3.01Å; S178-K182 VanDerWaalsContact O-N 3.16Å
179	A	83	Confident	85.5	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-41.4	-179.6	0	0	0	0	0	112.8	A175 C176 R181 K182 I185 P256 H257	A175-A179 WeakPolarHBondContact O-CB 3.46Å; A175-A179 PolarHBondContact O-N 3.26Å; C176-A179 PolarHBondContact O-N 3.24Å; A179-R181 PolarHBondContact O-N 3.08Å; A179-K182 PolarHBondContact O-N 3.21Å; A179-I185 HydrophobicContact CB-CD1 4.18Å; A179-P256 HydrophobicContact CB-CG 4.1Å; A179-H257 HydrophobicContact CB-CB 3.79Å; A179-H257 WeakPolarHBondContact CB-ND1 3.25Å
180	V	83.6	Confident	85.5	Confident	90 Å²	90	60.6 Å²	60.6	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-25.9	178.1	172.6	0	0	0	0	112.5	C176 S178 P256	C176-V180 WeakPolarHBondContact O-CG2 3.39Å; C176-V180 PolarHBondContact O-N 2.81Å; S178-V180 PolarHBondContact O-N 3.29Å; V180-P256 HydrophobicContact CG2-CG 3.84Å
181	R	84.5	Confident	85.6	Confident	205 Å²	205	61.5 Å²	61.5	77%	0.774	35%	0.353	S	S	*	.	H	α-helix	trans	-88.9	-18.8	178.3	-67.1	172.1	-171.4	178.1	4.6	113.5	S177 S178 A179	S177-R181 WeakPolarHBondContact O-CD 3.43Å; S177-R181 VanDerWaalsContact O-CG 3.28Å; S177-R181 WeakPolarHBondContact O-CG 3.32Å; S178-R181 PolarHBondContact O-N 3.49Å; S178-R181 VanDerWaalsContact O-N 3.13Å; A179-R181 PolarHBondContact O-N 3.08Å
182	K	82.9	Confident	85.8	Confident	72 Å²	72	57.2 Å²	57.2	31%	0.313	33%	0.329	S	S	.	.			trans	-77.9	125.9	-175.1	-158.9	-179.5	179.2	-178.6	0	109.9	S178 A179 A184 S186 D189	S178-K182 PolarHBondContact O-N 3.01Å; S178-K182 VanDerWaalsContact O-N 3.16Å; A179-K182 PolarHBondContact O-N 3.21Å; K182-A184 VanDerWaalsContact CD-O 3.23Å; K182-A184 WeakPolarHBondContact CD-O 3.29Å; K182-A184 VanDerWaalsContact CE-O 3.27Å; K182-A184 WeakPolarHBondContact CE-O 3.46Å; K182-A184 VanDerWaalsContact CG-O 3.31Å; K182-A184 WeakPolarHBondContact CG-O 3.46Å; K182-A184 PolarHBondContact O-N 2.93Å; K182-S186 PolarHBondContact NZ-OG 3.35Å; K182-D189 WeakPolarHBondContact CD-OD1 3.18Å; K182-D189 WeakPolarHBondContact CD-OD2 3.32Å; K182-D189 IonicContact NZ-OD1 3.42Å; K182-D189 PolarHBondContact NZ-OD1 3.23Å; K182-D189 IonicContact NZ-OD2 3.66Å; K182-D189 PolarHBondContact NZ-OD2 3.27Å
183	P	75.1	Confident	86.1	Confident	140 Å²	140	55.5 Å²	55.5	91%	0.909	32%	0.32	S	S	*	.	S	Bend	trans	-63.1	-28.5	-178.3	-24.8	34.6	0	0	0	114.4
184	A	81.3	Confident	86.7	Confident	62 Å²	62	51.4 Å²	51.4	51%	0.512	29%	0.291	S	S	.	.	S	Bend	trans	-138.8	120.7	174.7	0	0	0	0	0	108.7	K182	K182-A184 VanDerWaalsContact CD-O 3.23Å; K182-A184 WeakPolarHBondContact CD-O 3.29Å; K182-A184 VanDerWaalsContact CE-O 3.27Å; K182-A184 WeakPolarHBondContact CE-O 3.46Å; K182-A184 VanDerWaalsContact CG-O 3.31Å; K182-A184 WeakPolarHBondContact CG-O 3.46Å; K182-A184 PolarHBondContact O-N 2.93Å
185	I	86.4	Confident	87.3	Confident	15 Å²	15	44 Å²	44	8%	0.077	26%	0.257	C	S	.	.			trans	-87.7	135.3	175.1	-55.4	173.7	0	0	0	108.1	A179 D189 P256 H257 A547	A179-I185 HydrophobicContact CB-CD1 4.18Å; I185-D189 WeakPolarHBondContact CA-OD2 3.37Å; I185-D189 HydrophobicContact CG2-CB 3.86Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.37Å; I185-P256 HydrophobicContact CD1-CB 3.7Å; I185-P256 HydrophobicContact CD1-CG 3.79Å; I185-H257 HydrophobicContact CG2-CB 4.03Å; I185-A547 HydrophobicContact CB-CB 4.17Å; I185-A547 HydrophobicContact CG2-CB 3.8Å
186	S	88	Confident	88	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	25%	0.25	C	C	.	.			trans	-123.8	170.3	-179.4	60.7	0	0	0	0	111.2	K182 A188 D189 A547 L550 P551	K182-S186 PolarHBondContact NZ-OG 3.35Å; S186-A188 PolarHBondContact O-N 3.45Å; S186-D189 PolarHBondContact N-OD2 3.44Å; S186-D189 WeakPolarHBondContact O-CB 3.34Å; S186-D189 PolarHBondContact O-N 2.96Å; S186-D189 PolarHBondContact OG-OD2 3.38Å; S186-A547 CarbonylContact C-O 3.45Å; S186-L550 WeakPolarHBondContact CA-O 3.38Å; S186-L550 WeakPolarHBondContact CB-O 3.31Å; S186-P551 WeakPolarHBondContact CB-O 3.43Å
187	L	88.1	Confident	88.8	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.099	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.1	-25.3	-179.7	64.4	92.4	0	0	0	113.5	T66 D189 S190 R194 A547 L550	T66-L187 HydrophobicContact CG2-CD2 3.37Å; L187-D189 VanDerWaalsContact C-N 3.33Å; L187-D189 PolarHBondContact O-N 3Å; L187-S190 PolarHBondContact O-N 2.72Å; L187-S190 PolarHBondContact O-OG 2.64Å; L187-S190 VanDerWaalsContact O-OG 3.08Å; L187-R194 VanDerWaalsContact O-CZ 3.28Å; L187-R194 PolarHBondContact O-NE 3.32Å; L187-R194 PolarHBondContact O-NH2 3.31Å; L187-A547 WeakPolarHBondContact CA-O 3.49Å; L187-A547 PolarHBondContact N-O 3.2Å; L187-L550 PolarHBondContact N-O 2.91Å
188	A	86.8	Confident	89.5	Confident	31 Å²	31	39.3 Å²	39.3	26%	0.256	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-65.1	-34	177.1	0	0	0	0	0	113.1	S186 S190 T191 E552	S186-A188 PolarHBondContact O-N 3.45Å; A188-S190 PolarHBondContact O-N 2.81Å; A188-T191 WeakPolarHBondContact CA-OG1 3.2Å; A188-T191 PolarHBondContact O-N 3.17Å; A188-T191 PolarHBondContact O-OG1 2.91Å; A188-E552 VanDerWaalsContact CB-CD 3.42Å; A188-E552 HydrophobicContact CB-CG 3.57Å; A188-E552 WeakPolarHBondContact CB-OE1 3.46Å
189	D	88.5	Confident	90.1	Very high	48 Å²	48	35.7 Å²	35.7	26%	0.257	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-68.5	-4.4	179.9	-58.5	-58.9	0	0	0	113.4	K182 I185 S186 L187 H257	K182-D189 WeakPolarHBondContact CD-OD1 3.18Å; K182-D189 WeakPolarHBondContact CD-OD2 3.32Å; K182-D189 IonicContact NZ-OD1 3.42Å; K182-D189 PolarHBondContact NZ-OD1 3.23Å; K182-D189 IonicContact NZ-OD2 3.66Å; K182-D189 PolarHBondContact NZ-OD2 3.27Å; I185-D189 WeakPolarHBondContact CA-OD2 3.37Å; I185-D189 HydrophobicContact CG2-CB 3.86Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.37Å; S186-D189 PolarHBondContact N-OD2 3.44Å; S186-D189 WeakPolarHBondContact O-CB 3.34Å; S186-D189 PolarHBondContact O-N 2.96Å; S186-D189 PolarHBondContact OG-OD2 3.38Å; L187-D189 VanDerWaalsContact C-N 3.33Å; L187-D189 PolarHBondContact O-N 3Å; D189-H257 HydrophobicContact CB-CB 4.25Å
190	S	92.6	Very high	90.8	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.028	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-131	12.9	-176.1	63.1	0	0	0	0	113.9	L187 A188 E192 L193 R194 H257	L187-S190 PolarHBondContact O-N 2.72Å; L187-S190 PolarHBondContact O-OG 2.64Å; L187-S190 VanDerWaalsContact O-OG 3.08Å; A188-S190 PolarHBondContact O-N 2.81Å; S190-E192 PolarHBondContact O-N 3.36Å; S190-L193 WeakPolarHBondContact O-CB 3.45Å; S190-L193 PolarHBondContact O-N 2.72Å; S190-R194 WeakPolarHBondContact O-CG 3.3Å; S190-R194 PolarHBondContact O-N 3.35Å; S190-R194 WeakPolarHBondContact OG-CD 3.47Å; S190-R194 PolarHBondContact OG-NE 3.37Å; S190-H257 WeakPolarHBondContact CB-O 3.45Å
191	T	93.6	Very high	91.6	Very high	30 Å²	30	31.2 Å²	31.2	18%	0.184	17%	0.17	C	C	.	.	H	α-helix	trans	-53.1	-48.8	-168.2	-58.3	0	0	0	0	114.3	L119 A188 R194 V195	L119-T191 HydrophobicContact CD1-CG2 4.48Å; L119-T191 HydrophobicContact CD2-CG2 4.2Å; A188-T191 WeakPolarHBondContact CA-OG1 3.2Å; A188-T191 PolarHBondContact O-N 3.17Å; A188-T191 PolarHBondContact O-OG1 2.91Å; T191-R194 PolarHBondContact O-N 3.03Å; T191-R194 PolarHBondContact OG1-NH2 2.71Å; T191-V195 WeakPolarHBondContact O-CG2 3.43Å; T191-V195 PolarHBondContact O-N 2.69Å
192	E	94	Very high	92.2	Very high	13 Å²	13	21.5 Å²	21.5	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-46	180	-169.2	167.8	-172.4	0	0	111.6	R115 R118 L119 S190 R194 V195 L196	R115-E192 IonicContact CZ-OE2 3.94Å; R115-E192 IonicContact NE-OE2 3.29Å; R115-E192 PolarHBondContact NE-OE2 3.18Å; R115-E192 IonicContact NH2-OE2 2.88Å; R115-E192 PolarHBondContact NH2-OE2 3.28Å; R118-E192 IonicContact NH2-OE1 3.74Å; L119-E192 HydrophobicContact CD1-CB 4.22Å; L119-E192 HydrophobicContact CD1-CG 4.37Å; S190-E192 PolarHBondContact O-N 3.36Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.33Å; E192-V195 PolarHBondContact O-N 2.7Å; E192-L196 HydrophobicContact CG-CD1 4.25Å; E192-L196 VanDerWaalsContact O-CG 3.31Å; E192-L196 WeakPolarHBondContact O-CG 3.29Å; E192-L196 PolarHBondContact O-N 3.39Å
193	L	96	Very high	93	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-57.4	-42.6	172.5	-68.8	171.9	0	0	0	112.2	L166 E169 S190 L197 M246 F258 P259	L166-L193 HydrophobicContact CD1-CD2 3.79Å; E169-L193 HydrophobicContact CB-CD2 3.84Å; E169-L193 HydrophobicContact CB-CG 4.46Å; E169-L193 HydrophobicContact CG-CD1 4.35Å; E169-L193 HydrophobicContact CG-CD2 3.56Å; E169-L193 HydrophobicContact CG-CG 3.63Å; S190-L193 WeakPolarHBondContact O-CB 3.45Å; S190-L193 PolarHBondContact O-N 2.72Å; L193-L197 HydrophobicContact CB-CD1 4.42Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CD1 3.07Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 2.61Å; L193-M246 HydrophobicContact CD2-CE 4.34Å; L193-F258 HydrophobicContact CD1-CD1 3.37Å; L193-F258 HydrophobicContact CD1-CE1 3.68Å; L193-F258 HydrophobicContact CD1-CG 4.35Å; L193-P259 HydrophobicContact CB-CG 4.25Å
194	R	96.4	Very high	94.1	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.011	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-40.4	178.9	-72.2	-171.3	-59.6	104.4	1.2	111.6	E67 E70 L187 S190 T191 E192 S198 P259 K262	E67-R194 WeakPolarHBondContact OE1-CD 3.36Å; E67-R194 IonicContact OE1-CZ 3.66Å; E67-R194 IonicContact OE1-NE 3.78Å; E67-R194 IonicContact OE1-NH1 2.81Å; E67-R194 PolarHBondContact OE1-NH1 2.75Å; E70-R194 IonicContact OE1-CZ 2.75Å; E70-R194 IonicContact OE1-NH1 2.72Å; E70-R194 PolarHBondContact OE1-NH1 3.43Å; E70-R194 IonicContact OE1-NH2 3.99Å; E70-R194 PolarHBondContact OE1-NH2 3.2Å; E70-R194 IonicContact OE2-NH1 3.24Å; E70-R194 IonicContact OE2-NH2 3.51Å; L187-R194 VanDerWaalsContact O-CZ 3.28Å; L187-R194 PolarHBondContact O-NE 3.32Å; L187-R194 PolarHBondContact O-NH2 3.31Å; S190-R194 WeakPolarHBondContact O-CG 3.3Å; S190-R194 PolarHBondContact O-N 3.35Å; S190-R194 WeakPolarHBondContact OG-CD 3.47Å; S190-R194 PolarHBondContact OG-NE 3.37Å; T191-R194 PolarHBondContact O-N 3.03Å; T191-R194 PolarHBondContact OG1-NH2 2.71Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.33Å; R194-S198 VanDerWaalsContact O-CB 3.25Å; R194-S198 WeakPolarHBondContact O-CB 3.26Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.25Å; R194-P259 HydrophobicContact CG-CB 3.68Å; R194-P259 HydrophobicContact CG-CG 3.78Å; R194-K262 HydrophobicContact CB-CD 4.2Å; R194-K262 HydrophobicContact CG-CD 4.23Å
195	V	97.8	Very high	94.8	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.012	5%	0.051	C	C	.	.	H	α-helix	trans	-64.8	-54.4	175.5	172.2	0	0	0	0	110.5	L119 A122 R123 L126 T191 E192 L197 S198 I199	L119-V195 HydrophobicContact CD1-CB 4.44Å; L119-V195 HydrophobicContact CD1-CG2 4.15Å; A122-V195 HydrophobicContact CB-CG1 3.77Å; R123-V195 HydrophobicContact CG-CG1 4.36Å; R123-V195 HydrophobicContact CG-CG2 3.97Å; L126-V195 HydrophobicContact CB-CG1 4.28Å; L126-V195 HydrophobicContact CD2-CB 4.4Å; L126-V195 HydrophobicContact CD2-CG1 4.08Å; L126-V195 HydrophobicContact CD2-CG2 4.26Å; T191-V195 WeakPolarHBondContact O-CG2 3.43Å; T191-V195 PolarHBondContact O-N 2.69Å; E192-V195 PolarHBondContact O-N 2.7Å; V195-L197 PolarHBondContact O-N 2.81Å; V195-S198 WeakPolarHBondContact O-CB 3.45Å; V195-S198 PolarHBondContact O-N 3.04Å; V195-S198 VanDerWaalsContact O-N 3.13Å; V195-I199 HydrophobicContact CG1-CD1 4.13Å; V195-I199 WeakPolarHBondContact O-CG1 3.12Å; V195-I199 PolarHBondContact O-N 2.97Å; V195-I199 VanDerWaalsContact O-N 3.08Å
196	L	98.1	Very high	95.3	Very high	2 Å²	2	8 Å²	8	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-57	-51.5	-179.3	-64.4	173.5	0	0	0	112	L162 L165 E192 S198 I199 M200	L162-L196 HydrophobicContact CD2-CD2 3.41Å; L162-L196 VanDerWaalsContact CD2-CD2 3.41Å; L165-L196 HydrophobicContact CB-CD1 4Å; L165-L196 HydrophobicContact CB-CD2 4.06Å; L165-L196 HydrophobicContact CD1-CD2 4.13Å; E192-L196 HydrophobicContact CG-CD1 4.25Å; E192-L196 VanDerWaalsContact O-CG 3.31Å; E192-L196 WeakPolarHBondContact O-CG 3.29Å; E192-L196 PolarHBondContact O-N 3.39Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 3.12Å; L196-I199 PolarHBondContact O-N 3.33Å; L196-M200 WeakPolarHBondContact O-CG 3.17Å; L196-M200 PolarHBondContact O-N 3.2Å
197	L	98.4	Very high	95.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65	-28.6	179.2	-68	166.9	0	0	0	112.7	L166 L193 V195 Y201 L243 M246 P259 K262 V263 L266	L166-L197 HydrophobicContact CD1-CD2 4.01Å; L166-L197 HydrophobicContact CD1-CG 4.21Å; L166-L197 HydrophobicContact CD2-CD2 4Å; L193-L197 HydrophobicContact CB-CD1 4.42Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CD1 3.07Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 2.61Å; V195-L197 PolarHBondContact O-N 2.81Å; L197-Y201 VanDerWaalsContact O-CB 3.28Å; L197-Y201 WeakPolarHBondContact O-CB 3.31Å; L197-Y201 PolarHBondContact O-N 3.29Å; L197-L243 HydrophobicContact CD2-CD2 4.26Å; L197-M246 HydrophobicContact CD1-CE 4.25Å; L197-M246 HydrophobicContact CD2-SD 4.42Å; L197-P259 HydrophobicContact CD1-CG 3.63Å; L197-K262 HydrophobicContact CB-CB 4.12Å; L197-K262 HydrophobicContact CD1-CB 4.31Å; L197-V263 HydrophobicContact CD1-CG2 3.66Å; L197-V263 HydrophobicContact CD2-CG2 4.49Å; L197-L266 HydrophobicContact CD2-CD2 3.71Å
198	S	98.4	Very high	96	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-68.7	-46.6	174.3	-62.6	0	0	0	0	111.1	R194 V195 L196 M200 Y201 L202 K262	R194-S198 VanDerWaalsContact O-CB 3.25Å; R194-S198 WeakPolarHBondContact O-CB 3.26Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.25Å; V195-S198 WeakPolarHBondContact O-CB 3.45Å; V195-S198 PolarHBondContact O-N 3.04Å; V195-S198 VanDerWaalsContact O-N 3.13Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 3.12Å; S198-M200 PolarHBondContact O-N 3.13Å; S198-Y201 PolarHBondContact O-N 3.01Å; S198-L202 VanDerWaalsContact O-CG 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.18Å; S198-L202 PolarHBondContact O-N 3.15Å; S198-K262 WeakPolarHBondContact OG-CE 3.18Å
199	I	98.6	Very high	96.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.7	-48.5	177	-53.9	158.4	0	0	0	109.6	I125 L126 A129 L162 V195 L196 Y201 L202 M203	I125-I199 HydrophobicContact CB-CD1 4.32Å; I125-I199 HydrophobicContact CG2-CD1 3.96Å; I125-I199 HydrophobicContact CG2-CG1 4.46Å; I125-I199 HydrophobicContact CG2-CG2 4.1Å; L126-I199 HydrophobicContact CB-CD1 4.22Å; L126-I199 HydrophobicContact CB-CG1 3.8Å; L126-I199 HydrophobicContact CD1-CG1 3.89Å; L126-I199 HydrophobicContact CG-CG1 4.38Å; A129-I199 HydrophobicContact CB-CG2 4.34Å; L162-I199 HydrophobicContact CD1-CB 3.88Å; L162-I199 HydrophobicContact CD1-CD1 4.42Å; L162-I199 HydrophobicContact CD1-CG2 3.48Å; L162-I199 VanDerWaalsContact CD1-CG2 3.48Å; L162-I199 HydrophobicContact CD2-CD1 3.85Å; V195-I199 HydrophobicContact CG1-CD1 4.13Å; V195-I199 WeakPolarHBondContact O-CG1 3.12Å; V195-I199 PolarHBondContact O-N 2.97Å; V195-I199 VanDerWaalsContact O-N 3.08Å; L196-I199 PolarHBondContact O-N 3.33Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.26Å; I199-L202 PolarHBondContact O-N 3.47Å; I199-M203 HydrophobicContact CG2-CG 4.4Å; I199-M203 HydrophobicContact CG2-SD 4.14Å; I199-M203 WeakPolarHBondContact O-CG 3.37Å; I199-M203 PolarHBondContact O-N 2.89Å
200	M	98.6	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-35.8	179.6	-64.5	179.2	100.6	0	0	112.7	F159 L162 L163 L166 L196 S198 V204 F239 L266	F159-M200 HydrophobicContact CD2-CE 4.09Å; F159-M200 HydrophobicContact CE1-CE 4.41Å; F159-M200 HydrophobicContact CE2-CB 4.44Å; F159-M200 HydrophobicContact CE2-CE 3.47Å; F159-M200 VanDerWaalsContact CE2-CE 3.47Å; F159-M200 HydrophobicContact CE2-CG 4.26Å; F159-M200 HydrophobicContact CZ-CE 3.64Å; L162-M200 HydrophobicContact CB-CE 4.36Å; L162-M200 HydrophobicContact CB-CG 4.06Å; L162-M200 HydrophobicContact CB-SD 4.18Å; L162-M200 HydrophobicContact CD1-CG 4.1Å; L163-M200 HydrophobicContact CB-CE 4.12Å; L163-M200 HydrophobicContact CD1-CE 4.26Å; L166-M200 HydrophobicContact CB-SD 4.41Å; L166-M200 HydrophobicContact CD2-CE 4.33Å; L166-M200 HydrophobicContact CD2-SD 3.66Å; L196-M200 WeakPolarHBondContact O-CG 3.17Å; L196-M200 PolarHBondContact O-N 3.2Å; S198-M200 PolarHBondContact O-N 3.13Å; M200-V204 WeakPolarHBondContact O-CB 3.47Å; M200-V204 VanDerWaalsContact O-CG2 3.32Å; M200-V204 WeakPolarHBondContact O-CG2 3.26Å; M200-V204 PolarHBondContact O-N 2.73Å; M200-F239 HydrophobicContact CE-CD2 4.49Å; M200-F239 HydrophobicContact CE-CE1 4.46Å; M200-F239 HydrophobicContact CE-CE2 3.54Å; M200-F239 HydrophobicContact CE-CZ 3.51Å; M200-F239 HydrophobicContact SD-CE2 4.4Å; M200-F239 HydrophobicContact SD-CZ 4.07Å; M200-L266 HydrophobicContact CB-CD1 4.45Å; M200-L266 HydrophobicContact CB-CD2 3.84Å
201	Y	98.7	Very high	95.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.1	-45	172.7	-178.7	-90.2	0	0	0	112.9	E58 L59 L62 L197 S198 I199 M203 V204 E205 L265 L266 K269	E58-Y201 WeakPolarHBondContact O-CE1 3.45Å; E58-Y201 PolarHBondContact O-OH 3.34Å; L59-Y201 HydrophobicContact CD2-CE1 4.47Å; L62-Y201 HydrophobicContact CB-CD1 4.14Å; L62-Y201 HydrophobicContact CB-CE1 4.08Å; L62-Y201 HydrophobicContact CD1-CD1 3.76Å; L62-Y201 HydrophobicContact CD1-CE1 4.4Å; L62-Y201 HydrophobicContact CD1-CG 3.78Å; L62-Y201 HydrophobicContact CD2-CD1 3.81Å; L62-Y201 HydrophobicContact CD2-CE1 4.49Å; L62-Y201 HydrophobicContact CD2-CG 4.49Å; L62-Y201 HydrophobicContact CG-CD1 4.1Å; L197-Y201 VanDerWaalsContact O-CB 3.28Å; L197-Y201 WeakPolarHBondContact O-CB 3.31Å; L197-Y201 PolarHBondContact O-N 3.29Å; S198-Y201 PolarHBondContact O-N 3.01Å; I199-Y201 VanDerWaalsContact C-N 3.32Å; I199-Y201 PolarHBondContact O-N 3.26Å; Y201-M203 VanDerWaalsContact C-N 3.29Å; Y201-M203 PolarHBondContact O-N 3.49Å; Y201-V204 PolarHBondContact O-N 2.73Å; Y201-E205 HydrophobicContact CE1-CB 4.22Å; Y201-E205 WeakPolarHBondContact O-CB 3.25Å; Y201-E205 PolarHBondContact O-N 2.75Å; Y201-L265 HydrophobicContact CD2-CB 4.02Å; Y201-L265 HydrophobicContact CE2-CB 3.64Å; Y201-L265 HydrophobicContact CE2-CG 4.48Å; Y201-L266 HydrophobicContact CD2-CB 4.34Å; Y201-K269 HydrophobicContact CD2-CG 4.29Å; Y201-K269 HydrophobicContact CE2-CG 3.53Å; Y201-K269 WeakPolarHBondContact OH-CE 3.27Å
202	L	98.5	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-46	175.4	-69.4	174.3	0	0	0	110.3	L59 L62 L126 A129 Q130 I150 S198 I199 T206	L59-L202 HydrophobicContact CD2-CD2 3.53Å; L62-L202 HydrophobicContact CD2-CD2 4.18Å; L62-L202 HydrophobicContact CD2-CG 4.17Å; L126-L202 HydrophobicContact CD1-CD1 3.81Å; A129-L202 HydrophobicContact CB-CB 4.42Å; A129-L202 HydrophobicContact CB-CD1 3.72Å; Q130-L202 HydrophobicContact CG-CD1 4.15Å; I150-L202 HydrophobicContact CD1-CB 3.96Å; S198-L202 VanDerWaalsContact O-CG 3.27Å; S198-L202 WeakPolarHBondContact O-CG 3.18Å; S198-L202 PolarHBondContact O-N 3.15Å; I199-L202 PolarHBondContact O-N 3.47Å; L202-T206 WeakPolarHBondContact O-CB 3.46Å; L202-T206 PolarHBondContact O-N 3.27Å; L202-T206 PolarHBondContact O-OG1 2.89Å
203	M	98.5	Very high	94.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-54.2	175.9	-66.5	-179.4	83.4	0	0	112.2	I150 L153 Y154 F159 L162 I199 Y201 V207 F225	I150-M203 HydrophobicContact CG2-CB 4.35Å; I150-M203 HydrophobicContact CG2-CG 4.22Å; L153-M203 HydrophobicContact CB-CE 4.42Å; Y154-M203 HydrophobicContact CD2-CE 4.22Å; F159-M203 HydrophobicContact CB-CE 3.85Å; F159-M203 HydrophobicContact CB-SD 4.34Å; F159-M203 HydrophobicContact CD2-CE 4.48Å; F159-M203 HydrophobicContact CD2-SD 4.2Å; L162-M203 HydrophobicContact CD1-SD 4.16Å; I199-M203 HydrophobicContact CG2-CG 4.4Å; I199-M203 HydrophobicContact CG2-SD 4.14Å; I199-M203 WeakPolarHBondContact O-CG 3.37Å; I199-M203 PolarHBondContact O-N 2.89Å; Y201-M203 VanDerWaalsContact C-N 3.29Å; Y201-M203 PolarHBondContact O-N 3.49Å; M203-V207 WeakPolarHBondContact O-CB 3.27Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.29Å; M203-V207 PolarHBondContact O-N 3.15Å; M203-F225 HydrophobicContact CB-CE1 4.5Å; M203-F225 HydrophobicContact CB-CZ 4.48Å
204	V	98.2	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-48.4	-178.2	170.9	0	0	0	0	111.9	M200 Y201 R208 F225 L229 L266 K269 F273	M200-V204 WeakPolarHBondContact O-CB 3.47Å; M200-V204 VanDerWaalsContact O-CG2 3.32Å; M200-V204 WeakPolarHBondContact O-CG2 3.26Å; M200-V204 PolarHBondContact O-N 2.73Å; Y201-V204 PolarHBondContact O-N 2.73Å; V204-R208 WeakPolarHBondContact O-CB 3.28Å; V204-R208 PolarHBondContact O-N 2.92Å; V204-F225 HydrophobicContact CG2-CE1 4.14Å; V204-F225 HydrophobicContact CG2-CZ 3.97Å; V204-L229 HydrophobicContact CG2-CD1 4.09Å; V204-L266 HydrophobicContact CB-CD1 4.02Å; V204-L266 HydrophobicContact CG1-CD1 4.47Å; V204-L266 HydrophobicContact CG2-CD1 3.84Å; V204-K269 HydrophobicContact CG1-CB 3.89Å; V204-F273 HydrophobicContact CG1-CD1 4.5Å
205	E	96.9	Very high	94.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-38.9	-175.8	-176.1	64	170.4	0	0	112.2	L55 Y201 R208 V209 K269	L55-E205 HydrophobicContact CD1-CG 4.08Å; Y201-E205 HydrophobicContact CE1-CB 4.22Å; Y201-E205 WeakPolarHBondContact O-CB 3.25Å; Y201-E205 PolarHBondContact O-N 2.75Å; E205-R208 VanDerWaalsContact CD-NH2 3.28Å; E205-R208 IonicContact OE1-CZ 2.89Å; E205-R208 IonicContact OE1-NE 3.31Å; E205-R208 IonicContact OE1-NH2 3.35Å; E205-R208 PolarHBondContact OE1-NH2 3.1Å; E205-R208 IonicContact OE2-CZ 3.73Å; E205-R208 IonicContact OE2-NE 2.75Å; E205-R208 PolarHBondContact OE2-NE 3.16Å; E205-R208 IonicContact OE2-NH2 3.13Å; E205-R208 PolarHBondContact OE2-NH2 3.33Å; E205-R208 VanDerWaalsContact OE2-NH2 3.15Å; E205-V209 WeakPolarHBondContact O-CG2 3.02Å; E205-V209 PolarHBondContact O-N 3.45Å; E205-K269 VanDerWaalsContact CD-NZ 3.31Å; E205-K269 IonicContact OE1-NZ 3.55Å; E205-K269 PolarHBondContact OE1-NZ 3.21Å; E205-K269 WeakPolarHBondContact OE2-CD 3.46Å; E205-K269 WeakPolarHBondContact OE2-CG 3.41Å; E205-K269 IonicContact OE2-NZ 2.62Å; E205-K269 PolarHBondContact OE2-NZ 3.05Å
206	T	95.9	Very high	94.2	Very high	5 Å²	5	39 Å²	39	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-43.4	-178.5	-53.9	0	0	0	0	111.9	R147 I150 L202 V209	R147-T206 HydrophobicContact CB-CG2 3.93Å; R147-T206 HydrophobicContact CG-CG2 3.92Å; R147-T206 PolarHBondContact NH1-O 3.36Å; I150-T206 HydrophobicContact CD1-CG2 3.95Å; I150-T206 WeakPolarHBondContact CD1-OG1 3.29Å; I150-T206 HydrophobicContact CG2-CG2 4.46Å; L202-T206 WeakPolarHBondContact O-CB 3.46Å; L202-T206 PolarHBondContact O-N 3.27Å; L202-T206 PolarHBondContact O-OG1 2.89Å; T206-V209 PolarHBondContact O-N 2.86Å
207	V	96.7	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-32	177.4	-179.9	0	0	0	0	111.4	I150 F151 M203 V209 R222 F225 F273	I150-V207 HydrophobicContact CG2-CG2 3.74Å; F151-V207 HydrophobicContact CD1-CG2 4.44Å; F151-V207 HydrophobicContact CE1-CG1 4.04Å; F151-V207 HydrophobicContact CE1-CG2 4.07Å; F151-V207 HydrophobicContact CZ-CB 4.5Å; F151-V207 HydrophobicContact CZ-CG1 4.23Å; F151-V207 HydrophobicContact CZ-CG2 4.16Å; M203-V207 WeakPolarHBondContact O-CB 3.27Å; M203-V207 VanDerWaalsContact O-CG2 3.29Å; M203-V207 WeakPolarHBondContact O-CG2 3.29Å; M203-V207 PolarHBondContact O-N 3.15Å; V207-V209 VanDerWaalsContact C-N 3.33Å; V207-V209 PolarHBondContact O-N 3.07Å; V207-R222 HydrophobicContact CG1-CB 3.87Å; V207-R222 HydrophobicContact CG1-CG 3.99Å; V207-R222 WeakPolarHBondContact O-CD 3.2Å; V207-R222 WeakPolarHBondContact O-CG 3.17Å; V207-R222 PolarHBondContact O-NE 3.05Å; V207-F225 HydrophobicContact CB-CD1 3.92Å; V207-F225 HydrophobicContact CB-CE1 4.3Å; V207-F225 HydrophobicContact CG1-CB 4.45Å; V207-F225 HydrophobicContact CG1-CD1 3.77Å; V207-F225 HydrophobicContact CG2-CD1 4.3Å; V207-F225 HydrophobicContact CG2-CE1 4.5Å; V207-F273 HydrophobicContact CG1-CZ 4.27Å
208	R	95.1	Very high	93.8	Very high	33 Å²	33	46.6 Å²	46.6	13%	0.125	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-44.3	173.6	179.1	-172.3	76.3	81.5	-4.5	112	S52 V204 E205 Q210 R222 F273	S52-R208 PolarHBondContact OG-NH2 2.85Å; V204-R208 WeakPolarHBondContact O-CB 3.28Å; V204-R208 PolarHBondContact O-N 2.92Å; E205-R208 VanDerWaalsContact CD-NH2 3.28Å; E205-R208 IonicContact OE1-CZ 2.89Å; E205-R208 IonicContact OE1-NE 3.31Å; E205-R208 IonicContact OE1-NH2 3.35Å; E205-R208 PolarHBondContact OE1-NH2 3.1Å; E205-R208 IonicContact OE2-CZ 3.73Å; E205-R208 IonicContact OE2-NE 2.75Å; E205-R208 PolarHBondContact OE2-NE 3.16Å; E205-R208 IonicContact OE2-NH2 3.13Å; E205-R208 PolarHBondContact OE2-NH2 3.33Å; E205-R208 VanDerWaalsContact OE2-NH2 3.15Å; R208-Q210 PolarHBondContact O-N 3.44Å; R208-R222 PolarHBondContact O-NE 3.47Å; R208-R222 VanDerWaalsContact O-NE 3.14Å; R208-R222 PolarHBondContact O-NH2 2.85Å; R208-F273 HydrophobicContact CB-CB 4.16Å; R208-F273 HydrophobicContact CB-CD1 4.23Å; R208-F273 HydrophobicContact CB-CD2 3.92Å; R208-F273 HydrophobicContact CB-CE2 4.38Å; R208-F273 HydrophobicContact CB-CG 3.85Å; R208-F273 HydrophobicContact CG-CB 3.83Å; R208-F273 HydrophobicContact CG-CD2 3.79Å; R208-F273 HydrophobicContact CG-CG 3.88Å
209	V	91.3	Very high	93.6	Very high	42 Å²	42	51.9 Å²	51.9	26%	0.255	25%	0.251	S	S	.	.	S	Bend	trans	-73	113.8	180	175.6	0	0	0	0	109.5	R147 E205 T206 V207	R147-V209 PolarHBondContact NH1-O 3.01Å; R147-V209 PolarHBondContact NH2-O 2.79Å; E205-V209 WeakPolarHBondContact O-CG2 3.02Å; E205-V209 PolarHBondContact O-N 3.45Å; T206-V209 PolarHBondContact O-N 2.86Å; V207-V209 VanDerWaalsContact C-N 3.33Å; V207-V209 PolarHBondContact O-N 3.07Å
210	Q	87.1	Confident	93.5	Very high	113 Å²	113	54.7 Å²	54.7	53%	0.528	27%	0.273	S	S	.	.			trans	-88.7	137.1	171.8	-176.2	178.6	0.5	0	0	109.8	R208 D214	R208-Q210 PolarHBondContact O-N 3.44Å; Q210-D214 WeakPolarHBondContact CA-OD2 3.46Å
211	T	86.1	Confident	93.3	Very high	52 Å²	52	55.1 Å²	55.1	32%	0.319	28%	0.277	S	S	.	.			trans	-116.1	161	173.2	67.8	0	0	0	0	110.8	D213 D214	T211-D213 VanDerWaalsContact C-N 3.27Å; T211-D213 PolarHBondContact O-N 3.17Å; T211-D214 PolarHBondContact N-OD2 3.41Å; T211-D214 WeakPolarHBondContact O-CB 3.25Å; T211-D214 PolarHBondContact O-N 3.18Å; T211-D214 VanDerWaalsContact OG1-CG 3.29Å; T211-D214 PolarHBondContact OG1-OD1 3.02Å
212	E	83.1	Confident	93.3	Very high	185 Å²	185	56.3 Å²	56.3	86%	0.864	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-33.6	179.5	-60.7	-169.8	165.4	0	0	111.8	D214 R219	E212-D214 VanDerWaalsContact C-N 3.28Å; E212-D214 PolarHBondContact O-N 2.97Å; E212-R219 PolarHBondContact O-NH2 2.6Å
213	D	84.8	Confident	93.1	Very high	151 Å²	151	60.2 Å²	60.2	81%	0.807	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.1	179.3	-55.7	-59.2	0	0	0	114.6	T211 R215	T211-D213 VanDerWaalsContact C-N 3.27Å; T211-D213 PolarHBondContact O-N 3.17Å; D213-R215 PolarHBondContact O-N 3.01Å
214	D	89.6	Confident	93.1	Very high	4 Å²	4	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.			trans	-60.3	128.4	-177	-83.2	-30.1	0	0	0	112	R147 Q210 T211 E212 R219	R147-D214 IonicContact CZ-OD1 3.33Å; R147-D214 VanDerWaalsContact CZ-OD1 3.31Å; R147-D214 IonicContact NE-OD1 2.75Å; R147-D214 PolarHBondContact NE-OD1 2.88Å; R147-D214 IonicContact NH2-OD1 2.75Å; R147-D214 PolarHBondContact NH2-OD1 3.18Å; R147-D214 IonicContact NH2-OD2 2.67Å; R147-D214 PolarHBondContact NH2-OD2 3.06Å; Q210-D214 WeakPolarHBondContact CA-OD2 3.46Å; T211-D214 PolarHBondContact N-OD2 3.41Å; T211-D214 WeakPolarHBondContact O-CB 3.25Å; T211-D214 PolarHBondContact O-N 3.18Å; T211-D214 VanDerWaalsContact OG1-CG 3.29Å; T211-D214 PolarHBondContact OG1-OD1 3.02Å; E212-D214 VanDerWaalsContact C-N 3.28Å; E212-D214 PolarHBondContact O-N 2.97Å; D214-R219 HydrophobicContact CB-CG 4.04Å; D214-R219 PolarHBondContact O-NE 3.13Å; D214-R219 PolarHBondContact O-NH2 2.94Å
215	R	91.5	Very high	93	Very high	122 Å²	122	64 Å²	64	46%	0.46	32%	0.324	S	S	.	.			trans	-61.2	152.3	175.6	-61.8	-178.3	-171.1	171.9	7.9	111.2	D213 E217 W218 R219	D213-R215 PolarHBondContact O-N 3.01Å; R215-E217 PolarHBondContact O-N 3.5Å; R215-W218 HydrophobicContact CB-CB 4.43Å; R215-W218 HydrophobicContact CB-CG 4.25Å; R215-W218 PolarHBondContact O-N 3.32Å; R215-W218 VanDerWaalsContact O-N 3.07Å; R215-R219 WeakPolarHBondContact O-CG 3.24Å; R215-R219 PolarHBondContact O-N 2.7Å
216	P	93.6	Very high	93	Very high	105 Å²	105	65.5 Å²	65.5	68%	0.682	33%	0.33	S	S	*	.	H	α-helix	trans	-58.4	-34.5	176.2	24.3	-34.2	0	0	0	112.5	R219 A220	P216-R219 PolarHBondContact O-N 2.86Å; P216-A220 PolarHBondContact O-N 3.41Å
217	E	93	Very high	93	Very high	133 Å²	133	70.2 Å²	70.2	62%	0.621	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-49.3	172.9	-64.7	162	172.2	0	0	111.5	R215 R219 A220 A221	R215-E217 PolarHBondContact O-N 3.5Å; E217-R219 PolarHBondContact O-N 3.05Å; E217-A220 PolarHBondContact O-N 3.31Å; E217-A221 WeakPolarHBondContact O-CB 3.36Å; E217-A221 PolarHBondContact O-N 2.86Å
218	W	95	Very high	92.9	Very high	29 Å²	29	71.9 Å²	71.9	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-35.5	178.6	-70.1	1.9	0	0	0	112.7	R147 H148 F151 R215 R222	R147-W218 HydrophobicContact CG-CH2 4.19Å; R147-W218 HydrophobicContact CG-CZ3 3.84Å; H148-W218 HydrophobicContact CB-CH2 4.34Å; H148-W218 HydrophobicContact CB-CZ2 4.35Å; F151-W218 HydrophobicContact CB-CD2 4.41Å; F151-W218 HydrophobicContact CB-CG 4.43Å; F151-W218 HydrophobicContact CB-CZ2 4.34Å; F151-W218 HydrophobicContact CD1-CB 4.06Å; F151-W218 AromaticContact CD1-CD1 3.77Å; F151-W218 HydrophobicContact CD1-CD2 4.38Å; F151-W218 AromaticContact CD1-CG 3.84Å; F151-W218 HydrophobicContact CD1-CG 3.84Å; F151-W218 HydrophobicContact CD2-CB 4.4Å; F151-W218 AromaticContact CD2-CD2 3.43Å; F151-W218 HydrophobicContact CD2-CD2 3.43Å; F151-W218 VanDerWaalsContact CD2-CD2 3.43Å; F151-W218 AromaticContact CD2-CE2 3.6Å; F151-W218 AromaticContact CD2-CE3 3.71Å; F151-W218 HydrophobicContact CD2-CE3 3.71Å; F151-W218 AromaticContact CD2-CG 3.77Å; F151-W218 HydrophobicContact CD2-CG 3.77Å; F151-W218 HydrophobicContact CD2-CH2 4.28Å; F151-W218 HydrophobicContact CD2-CZ2 4.04Å; F151-W218 HydrophobicContact CD2-CZ3 4.13Å; F151-W218 AromaticContact CD2-NE1 3.98Å; F151-W218 HydrophobicContact CE1-CB 3.72Å; F151-W218 AromaticContact CE1-CG 3.98Å; F151-W218 HydrophobicContact CE1-CG 3.98Å; F151-W218 WeakPolarHBondContact CE1-O 3.4Å; F151-W218 HydrophobicContact CE2-CB 4.08Å; F151-W218 AromaticContact CE2-CD2 3.68Å; F151-W218 HydrophobicContact CE2-CD2 3.68Å; F151-W218 AromaticContact CE2-CE3 3.64Å; F151-W218 HydrophobicContact CE2-CE3 3.64Å; F151-W218 AromaticContact CE2-CG 3.91Å; F151-W218 HydrophobicContact CE2-CG 3.91Å; F151-W218 HydrophobicContact CE2-CZ3 4.26Å; F151-W218 HydrophobicContact CG-CB 4.4Å; F151-W218 AromaticContact CG-CD1 3.64Å; F151-W218 AromaticContact CG-CD2 3.83Å; F151-W218 HydrophobicContact CG-CD2 3.83Å; F151-W218 AromaticContact CG-CE2 3.79Å; F151-W218 AromaticContact CG-CG 3.75Å; F151-W218 HydrophobicContact CG-CG 3.75Å; F151-W218 HydrophobicContact CG-CZ2 4.47Å; F151-W218 AromaticContact CG-NE1 3.67Å; F151-W218 HydrophobicContact CZ-CB 3.73Å; F151-W218 HydrophobicContact CZ-CD2 4.26Å; F151-W218 HydrophobicContact CZ-CE3 4.42Å; F151-W218 HydrophobicContact CZ-CG 4.02Å; R215-W218 HydrophobicContact CB-CB 4.43Å; R215-W218 HydrophobicContact CB-CG 4.25Å; R215-W218 PolarHBondContact O-N 3.32Å; R215-W218 VanDerWaalsContact O-N 3.07Å; W218-R222 VanDerWaalsContact O-CB 3.28Å; W218-R222 WeakPolarHBondContact O-CB 3.39Å; W218-R222 PolarHBondContact O-N 3.37Å
219	R	95	Very high	92.9	Very high	114 Å²	114	70.4 Å²	70.4	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-40.6	172.9	-62.8	175.5	-159.1	-173.5	0.1	111.5	E212 D214 R215 P216 E217 E223	E212-R219 PolarHBondContact O-NH2 2.6Å; D214-R219 HydrophobicContact CB-CG 4.04Å; D214-R219 PolarHBondContact O-NE 3.13Å; D214-R219 PolarHBondContact O-NH2 2.94Å; R215-R219 WeakPolarHBondContact O-CG 3.24Å; R215-R219 PolarHBondContact O-N 2.7Å; P216-R219 PolarHBondContact O-N 2.86Å; E217-R219 PolarHBondContact O-N 3.05Å; R219-E223 PolarHBondContact O-N 3.25Å
220	A	95.8	Very high	93	Very high	58 Å²	58	68.8 Å²	68.8	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-48.2	175	0	0	0	0	0	111.5	P216 E217 R222 E223 T224	P216-A220 PolarHBondContact O-N 3.41Å; E217-A220 PolarHBondContact O-N 3.31Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 3.21Å; A220-E223 PolarHBondContact O-N 2.78Å; A220-T224 PolarHBondContact O-N 2.89Å; A220-T224 PolarHBondContact O-OG1 3.07Å; A220-T224 VanDerWaalsContact O-OG1 3.1Å
221	A	96.2	Very high	93.1	Very high	10 Å²	10	65.3 Å²	65.3	8%	0.083	34%	0.338	C	S	.	.	H	α-helix	trans	-57.4	-40.3	175.9	0	0	0	0	0	112.1	F151 Y154 E217 T224 F225	F151-A221 HydrophobicContact CD1-CB 4.17Å; F151-A221 HydrophobicContact CE1-CB 4.24Å; Y154-A221 HydrophobicContact CD1-CB 4.17Å; Y154-A221 HydrophobicContact CE1-CB 4.15Å; E217-A221 WeakPolarHBondContact O-CB 3.36Å; E217-A221 PolarHBondContact O-N 2.86Å; A221-T224 PolarHBondContact O-N 3.45Å; A221-F225 WeakPolarHBondContact O-CB 3.15Å; A221-F225 PolarHBondContact O-N 3.36Å
222	R	96.9	Very high	93	Very high	25 Å²	25	66.4 Å²	66.4	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-48.2	174.4	177.9	-177.1	-173.2	-86.8	6.2	112.8	V207 R208 W218 A220 F225 K226 F273	V207-R222 HydrophobicContact CG1-CB 3.87Å; V207-R222 HydrophobicContact CG1-CG 3.99Å; V207-R222 WeakPolarHBondContact O-CD 3.2Å; V207-R222 WeakPolarHBondContact O-CG 3.17Å; V207-R222 PolarHBondContact O-NE 3.05Å; R208-R222 PolarHBondContact O-NE 3.47Å; R208-R222 VanDerWaalsContact O-NE 3.14Å; R208-R222 PolarHBondContact O-NH2 2.85Å; W218-R222 VanDerWaalsContact O-CB 3.28Å; W218-R222 WeakPolarHBondContact O-CB 3.39Å; W218-R222 PolarHBondContact O-N 3.37Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 3.21Å; R222-F225 PolarHBondContact O-N 3.31Å; R222-K226 WeakPolarHBondContact O-CB 3.39Å; R222-K226 PolarHBondContact O-N 2.87Å; R222-F273 HydrophobicContact CG-CE2 4Å; R222-F273 HydrophobicContact CG-CZ 3.85Å
223	E	96.1	Very high	92.7	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-70.2	-36.2	179.5	-63.5	-50.5	119.2	0	0	111.7	R219 A220 K226 N227	R219-E223 PolarHBondContact O-N 3.25Å; A220-E223 PolarHBondContact O-N 2.78Å; E223-K226 PolarHBondContact O-N 2.99Å; E223-N227 WeakPolarHBondContact O-CB 3.43Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.76Å; E223-N227 PolarHBondContact O-ND2 3.3Å
224	T	96.6	Very high	92	Very high	81 Å²	81	57.3 Å²	57.3	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-50.6	170.2	-56.7	0	0	0	0	110.7	A220 A221 K226 N227 E228	A220-T224 PolarHBondContact O-N 2.89Å; A220-T224 PolarHBondContact O-OG1 3.07Å; A220-T224 VanDerWaalsContact O-OG1 3.1Å; A221-T224 PolarHBondContact O-N 3.45Å; T224-K226 PolarHBondContact O-N 2.84Å; T224-N227 PolarHBondContact O-N 2.95Å; T224-E228 WeakPolarHBondContact O-CB 3.48Å; T224-E228 PolarHBondContact O-N 3.11Å
225	F	97.4	Very high	91.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-36.8	-179.6	-169.7	-142.9	0	0	0	112.7	Y154 F159 M203 V204 V207 A221 R222 N227 E228 L229 F273	Y154-F225 AromaticContact CD2-CD2 3.92Å; Y154-F225 HydrophobicContact CD2-CD2 3.92Å; Y154-F225 HydrophobicContact CD2-CE2 4.22Å; Y154-F225 HydrophobicContact CD2-CG 4.19Å; Y154-F225 HydrophobicContact CE1-CB 4.08Å; Y154-F225 HydrophobicContact CE2-CB 3.91Å; Y154-F225 AromaticContact CE2-CD2 3.31Å; Y154-F225 HydrophobicContact CE2-CD2 3.31Å; Y154-F225 AromaticContact CE2-CE2 3.94Å; Y154-F225 HydrophobicContact CE2-CE2 3.94Å; Y154-F225 AromaticContact CE2-CG 3.74Å; Y154-F225 HydrophobicContact CE2-CG 3.74Å; Y154-F225 AromaticContact CZ-CD2 3.91Å; Y154-F225 WeakPolarHBondContact OH-CA 3.21Å; Y154-F225 PolarHBondContact OH-N 2.86Å; F159-F225 HydrophobicContact CB-CE2 4.46Å; F159-F225 AromaticContact CD1-CE2 3.76Å; F159-F225 HydrophobicContact CD1-CE2 3.76Å; F159-F225 AromaticContact CD2-CE2 3.74Å; F159-F225 HydrophobicContact CD2-CE2 3.74Å; F159-F225 AromaticContact CD2-CZ 3.71Å; F159-F225 HydrophobicContact CD2-CZ 3.71Å; F159-F225 AromaticContact CE1-CE2 3.89Å; F159-F225 HydrophobicContact CE1-CE2 3.89Å; F159-F225 AromaticContact CE2-CE2 3.86Å; F159-F225 HydrophobicContact CE2-CE2 3.86Å; F159-F225 AromaticContact CE2-CZ 3.75Å; F159-F225 HydrophobicContact CE2-CZ 3.75Å; F159-F225 AromaticContact CG-CE2 3.7Å; F159-F225 HydrophobicContact CG-CE2 3.7Å; F159-F225 HydrophobicContact CG-CZ 4.14Å; F159-F225 AromaticContact CZ-CE2 3.95Å; F159-F225 HydrophobicContact CZ-CE2 3.95Å; F159-F225 HydrophobicContact CZ-CZ 4.22Å; M203-F225 HydrophobicContact CB-CE1 4.5Å; M203-F225 HydrophobicContact CB-CZ 4.48Å; V204-F225 HydrophobicContact CG2-CE1 4.14Å; V204-F225 HydrophobicContact CG2-CZ 3.97Å; V207-F225 HydrophobicContact CB-CD1 3.92Å; V207-F225 HydrophobicContact CB-CE1 4.3Å; V207-F225 HydrophobicContact CG1-CB 4.45Å; V207-F225 HydrophobicContact CG1-CD1 3.77Å; V207-F225 HydrophobicContact CG2-CD1 4.3Å; V207-F225 HydrophobicContact CG2-CE1 4.5Å; A221-F225 WeakPolarHBondContact O-CB 3.15Å; A221-F225 PolarHBondContact O-N 3.36Å; R222-F225 PolarHBondContact O-N 3.31Å; F225-N227 VanDerWaalsContact C-N 3.34Å; F225-N227 PolarHBondContact O-N 3.39Å; F225-E228 PolarHBondContact O-N 3.49Å; F225-L229 HydrophobicContact CD1-CD1 4.1Å; F225-L229 HydrophobicContact CD2-CD1 4.08Å; F225-L229 HydrophobicContact CD2-CD2 4.45Å; F225-L229 HydrophobicContact CD2-CG 3.93Å; F225-L229 HydrophobicContact CE1-CD1 3.92Å; F225-L229 HydrophobicContact CE2-CD1 3.88Å; F225-L229 HydrophobicContact CE2-CD2 3.8Å; F225-L229 HydrophobicContact CE2-CG 3.75Å; F225-L229 HydrophobicContact CG-CD1 4.19Å; F225-L229 HydrophobicContact CG-CG 4.47Å; F225-L229 HydrophobicContact CZ-CD1 3.81Å; F225-L229 HydrophobicContact CZ-CD2 4.11Å; F225-L229 HydrophobicContact CZ-CG 4.15Å; F225-L229 WeakPolarHBondContact O-CB 3.44Å; F225-L229 VanDerWaalsContact O-CG 3.22Å; F225-L229 WeakPolarHBondContact O-CG 3.42Å; F225-L229 PolarHBondContact O-N 3.34Å; F225-F273 AromaticContact CD1-CE1 3.85Å; F225-F273 HydrophobicContact CD1-CE1 3.85Å; F225-F273 HydrophobicContact CE1-CE1 4.45Å; F225-F273 HydrophobicContact CG-CE1 4.44Å
226	K	97	Very high	90.6	Very high	31 Å²	31	60.1 Å²	60.1	14%	0.135	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-44.1	173.2	-177	171.3	172.6	164.7	0	111.5	R222 E223 T224 G230 F273 E280	R222-K226 WeakPolarHBondContact O-CB 3.39Å; R222-K226 PolarHBondContact O-N 2.87Å; E223-K226 PolarHBondContact O-N 2.99Å; T224-K226 PolarHBondContact O-N 2.84Å; K226-G230 PolarHBondContact O-N 3.22Å; K226-F273 HydrophobicContact CB-CD2 4.36Å; K226-F273 HydrophobicContact CB-CE1 4.21Å; K226-F273 HydrophobicContact CB-CE2 3.74Å; K226-F273 HydrophobicContact CB-CZ 3.66Å; K226-F273 HydrophobicContact CD-CD2 4.18Å; K226-F273 HydrophobicContact CD-CE2 3.99Å; K226-F273 WeakPolarHBondContact CD-O 3.46Å; K226-F273 WeakPolarHBondContact CE-O 3.42Å; K226-F273 HydrophobicContact CG-CD2 4.21Å; K226-F273 HydrophobicContact CG-CE2 4.03Å; K226-F273 HydrophobicContact CG-CZ 4.38Å; K226-F273 PolarHBondContact NZ-O 3.37Å; K226-E280 IonicContact NZ-OE2 2.63Å; K226-E280 PolarHBondContact NZ-OE2 3.38Å
227	N	94.6	Very high	90.3	Very high	104 Å²	104	58.9 Å²	58.9	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-69.8	-44.1	178.2	-69.1	-33.5	0	0	0	111.4	E223 T224 F225 G230 S231	E223-N227 WeakPolarHBondContact O-CB 3.43Å; E223-N227 VanDerWaalsContact O-CG 3.24Å; E223-N227 PolarHBondContact O-N 2.76Å; E223-N227 PolarHBondContact O-ND2 3.3Å; T224-N227 PolarHBondContact O-N 2.95Å; F225-N227 VanDerWaalsContact C-N 3.34Å; F225-N227 PolarHBondContact O-N 3.39Å; N227-G230 PolarHBondContact O-N 2.71Å; N227-S231 VanDerWaalsContact O-CB 3.31Å; N227-S231 WeakPolarHBondContact O-CB 3.39Å; N227-S231 PolarHBondContact O-N 2.73Å; N227-S231 PolarHBondContact O-OG 3.24Å
228	E	94.8	Very high	90.3	Very high	36 Å²	36	53 Å²	53	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-51.3	-60.3	174.5	-172.3	-174.7	159.3	0	0	110.2	Y154 F159 T224 F225 G230 S231 L233	Y154-E228 VanDerWaalsContact CE2-OE2 3.23Å; Y154-E228 WeakPolarHBondContact CE2-OE2 3.32Å; Y154-E228 PolarHBondContact OH-OE2 3.06Å; F159-E228 WeakPolarHBondContact CD1-OE1 3.35Å; T224-E228 WeakPolarHBondContact O-CB 3.48Å; T224-E228 PolarHBondContact O-N 3.11Å; F225-E228 PolarHBondContact O-N 3.49Å; E228-G230 PolarHBondContact O-N 3.5Å; E228-G230 VanDerWaalsContact O-N 3.14Å; E228-S231 PolarHBondContact O-N 2.89Å; E228-S231 PolarHBondContact O-OG 3.22Å; E228-L233 HydrophobicContact CB-CD2 4.33Å; E228-L233 HydrophobicContact CG-CD1 3.97Å; E228-L233 HydrophobicContact CG-CD2 3.41Å; E228-L233 VanDerWaalsContact CG-CD2 3.41Å; E228-L233 HydrophobicContact CG-CG 4.31Å; E228-L233 WeakPolarHBondContact O-CD1 3.39Å; E228-L233 WeakPolarHBondContact O-CD2 3.07Å; E228-L233 VanDerWaalsContact O-CG 3.25Å; E228-L233 WeakPolarHBondContact O-CG 3.48Å
229	L	96.2	Very high	90.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-28.4	-179.9	-67.8	171.2	0	0	0	114.7	F159 V204 F225 F239 F273 T274	F159-L229 HydrophobicContact CE1-CD2 3.84Å; F159-L229 HydrophobicContact CE2-CD2 4.22Å; F159-L229 HydrophobicContact CZ-CD2 3.42Å; F159-L229 VanDerWaalsContact CZ-CD2 3.42Å; V204-L229 HydrophobicContact CG2-CD1 4.09Å; F225-L229 HydrophobicContact CD1-CD1 4.1Å; F225-L229 HydrophobicContact CD2-CD1 4.08Å; F225-L229 HydrophobicContact CD2-CD2 4.45Å; F225-L229 HydrophobicContact CD2-CG 3.93Å; F225-L229 HydrophobicContact CE1-CD1 3.92Å; F225-L229 HydrophobicContact CE2-CD1 3.88Å; F225-L229 HydrophobicContact CE2-CD2 3.8Å; F225-L229 HydrophobicContact CE2-CG 3.75Å; F225-L229 HydrophobicContact CG-CD1 4.19Å; F225-L229 HydrophobicContact CG-CG 4.47Å; F225-L229 HydrophobicContact CZ-CD1 3.81Å; F225-L229 HydrophobicContact CZ-CD2 4.11Å; F225-L229 HydrophobicContact CZ-CG 4.15Å; F225-L229 WeakPolarHBondContact O-CB 3.44Å; F225-L229 VanDerWaalsContact O-CG 3.22Å; F225-L229 WeakPolarHBondContact O-CG 3.42Å; F225-L229 PolarHBondContact O-N 3.34Å; L229-F239 HydrophobicContact CD2-CB 4.06Å; L229-F239 HydrophobicContact CD2-CD1 3.69Å; L229-F239 HydrophobicContact CD2-CE1 4.48Å; L229-F239 HydrophobicContact CD2-CG 4.11Å; L229-F273 HydrophobicContact CD1-CD1 3.66Å; L229-F273 HydrophobicContact CD1-CE1 3.88Å; L229-T274 HydrophobicContact CB-CG2 3.57Å
230	G	92.1	Very high	90.4	Very high	9 Å²	9	46.5 Å²	46.5	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	-85.5	-21.3	178.3	0	0	0	0	0	114.2	K226 N227 E228	K226-G230 PolarHBondContact O-N 3.22Å; N227-G230 PolarHBondContact O-N 2.71Å; E228-G230 PolarHBondContact O-N 3.5Å; E228-G230 VanDerWaalsContact O-N 3.14Å
231	S	89.6	Confident	90.4	Very high	40 Å²	40	43.8 Å²	43.8	28%	0.28	25%	0.246	S	C	.	.	S	Bend	trans	-87.6	162.7	-179.2	71.8	0	0	0	0	112.6	N227 E228 L233 P238	N227-S231 VanDerWaalsContact O-CB 3.31Å; N227-S231 WeakPolarHBondContact O-CB 3.39Å; N227-S231 PolarHBondContact O-N 2.73Å; N227-S231 PolarHBondContact O-OG 3.24Å; E228-S231 PolarHBondContact O-N 2.89Å; E228-S231 PolarHBondContact O-OG 3.22Å; S231-L233 PolarHBondContact O-N 3.4Å; S231-P238 WeakPolarHBondContact O-CA 3.16Å
232	P	85.3	Confident	90.4	Very high	74 Å²	74	44.6 Å²	44.6	48%	0.481	25%	0.249	S	C	.	.			trans	-62.4	111.3	167.2	-23.4	36.2	0	0	0	111.5	I509	P232-I509 HydrophobicContact CG-CG2 4.46Å
233	L	76.6	Confident	90.5	Very high	57 Å²	57	43.4 Å²	43.4	30%	0.298	25%	0.245	S	C	.	.			trans	-101.7	-73.8	-176	-68.9	176.3	0	0	0	112.5	F159 L163 E228 S231 E237 F239	F159-L233 HydrophobicContact CE1-CD1 4.45Å; L163-L233 HydrophobicContact CD2-CB 4.18Å; L163-L233 HydrophobicContact CD2-CD1 4.32Å; E228-L233 HydrophobicContact CB-CD2 4.33Å; E228-L233 HydrophobicContact CG-CD1 3.97Å; E228-L233 HydrophobicContact CG-CD2 3.41Å; E228-L233 VanDerWaalsContact CG-CD2 3.41Å; E228-L233 HydrophobicContact CG-CG 4.31Å; E228-L233 WeakPolarHBondContact O-CD1 3.39Å; E228-L233 WeakPolarHBondContact O-CD2 3.07Å; E228-L233 VanDerWaalsContact O-CG 3.25Å; E228-L233 WeakPolarHBondContact O-CG 3.48Å; S231-L233 PolarHBondContact O-N 3.4Å; L233-E237 PolarHBondContact N-O 2.96Å; L233-F239 HydrophobicContact CD1-CB 4.39Å
234	Y	68.8	Low	90.5	Very high	89 Å²	89	39.5 Å²	39.5	35%	0.349	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-111.4	138.6	-175.8	-168.8	-98.9	0	0	0	108.5	E164 S167 G236 E237	E164-Y234 HydrophobicContact CG-CD2 4.4Å; E164-Y234 HydrophobicContact CG-CE2 4Å; S167-Y234 WeakPolarHBondContact OG-CD1 3.36Å; Y234-G236 PolarHBondContact O-N 3.17Å; Y234-E237 PolarHBondContact O-N 3.37Å
235	N	71	Confident	90.5	Very high	127 Å²	127	37.4 Å²	37.4	68%	0.679	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	15	-171.6	-62	-25	0	0	0	115.9
236	G	80.7	Confident	90.5	Very high	57 Å²	57	37.4 Å²	37.4	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	20.4	-177.5	0	0	0	0	0	114.5	Y234	Y234-G236 PolarHBondContact O-N 3.17Å
237	E	87.1	Confident	90.5	Very high	80 Å²	80	36 Å²	36	37%	0.374	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-122.3	149	179.9	-67.4	-167.9	160.4	0	0	112.1	L233 Y234 L241	L233-E237 PolarHBondContact N-O 2.96Å; Y234-E237 PolarHBondContact O-N 3.37Å; E237-L241 HydrophobicContact CB-CB 4.34Å; E237-L241 HydrophobicContact CB-CD2 4Å; E237-L241 VanDerWaalsContact CD-CD2 3.44Å; E237-L241 HydrophobicContact CG-CD2 3.83Å
238	P	93.5	Very high	90.5	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.065	18%	0.184	C	C	.	.			trans	-67.2	151	171.4	-19.4	32.3	0	0	0	112.5	S231 A240 L241 I509	S231-P238 WeakPolarHBondContact O-CA 3.16Å; P238-A240 PolarHBondContact O-N 2.79Å; P238-A240 VanDerWaalsContact O-N 3.11Å; P238-L241 WeakPolarHBondContact O-CB 3.34Å; P238-L241 PolarHBondContact O-N 3.5Å; P238-I509 HydrophobicContact CG-CG2 3.61Å
239	F	96.4	Very high	90.5	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-35.5	-176.3	-178.4	-123.9	0	0	0	113.8	F159 L163 L166 M200 L229 L233 L241 L242 L243 L266 T270	F159-F239 HydrophobicContact CZ-CD1 4.22Å; F159-F239 HydrophobicContact CZ-CE1 4.21Å; F159-F239 HydrophobicContact CZ-CG 4.36Å; F159-F239 HydrophobicContact CZ-CZ 4.37Å; L163-F239 HydrophobicContact CD1-CD2 3.58Å; L163-F239 HydrophobicContact CD1-CE2 3.7Å; L166-F239 HydrophobicContact CD2-CE2 4.17Å; L166-F239 HydrophobicContact CD2-CZ 4.49Å; M200-F239 HydrophobicContact CE-CD2 4.49Å; M200-F239 HydrophobicContact CE-CE1 4.46Å; M200-F239 HydrophobicContact CE-CE2 3.54Å; M200-F239 HydrophobicContact CE-CZ 3.51Å; M200-F239 HydrophobicContact SD-CE2 4.4Å; M200-F239 HydrophobicContact SD-CZ 4.07Å; L229-F239 HydrophobicContact CD2-CB 4.06Å; L229-F239 HydrophobicContact CD2-CD1 3.69Å; L229-F239 HydrophobicContact CD2-CE1 4.48Å; L229-F239 HydrophobicContact CD2-CG 4.11Å; L233-F239 HydrophobicContact CD1-CB 4.39Å; F239-L241 PolarHBondContact O-N 2.86Å; F239-L242 HydrophobicContact CD2-CD2 4.3Å; F239-L242 HydrophobicContact CE2-CD2 4.24Å; F239-L242 PolarHBondContact O-N 3.34Å; F239-L243 HydrophobicContact CD1-CD1 4.06Å; F239-L243 HydrophobicContact CE1-CD1 3.69Å; F239-L243 HydrophobicContact CE1-CG 4.36Å; F239-L243 HydrophobicContact CE2-CD2 4.41Å; F239-L243 HydrophobicContact CE2-CG 4.38Å; F239-L243 HydrophobicContact CZ-CD1 3.97Å; F239-L243 HydrophobicContact CZ-CD2 4.09Å; F239-L243 HydrophobicContact CZ-CG 4.17Å; F239-L243 PolarHBondContact O-N 3.04Å; F239-L266 HydrophobicContact CE1-CD1 4.09Å; F239-L266 HydrophobicContact CE1-CD2 4.06Å; F239-L266 HydrophobicContact CE1-CG 4.01Å; F239-L266 HydrophobicContact CZ-CD2 3.86Å; F239-L266 HydrophobicContact CZ-CG 4.3Å; F239-T270 HydrophobicContact CD1-CG2 3.86Å
240	A	96.9	Very high	90.4	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-30.8	175.3	0	0	0	0	0	113.1	P238 L243 F244 L267 T270 V271 L510	P238-A240 PolarHBondContact O-N 2.79Å; P238-A240 VanDerWaalsContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 3.33Å; A240-F244 WeakPolarHBondContact O-CD2 3.37Å; A240-F244 PolarHBondContact O-N 3.37Å; A240-L267 HydrophobicContact CB-CD1 4.04Å; A240-L267 WeakPolarHBondContact O-CD1 3.45Å; A240-T270 HydrophobicContact CB-CG2 4.09Å; A240-V271 HydrophobicContact CB-CG2 3.91Å; A240-L510 HydrophobicContact CB-CD1 3.96Å
241	L	95.6	Very high	90.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-74.6	-36.5	-179.4	-166.8	56.7	0	0	0	112.2	E237 P238 F239 L243 F244 T245 G513 M514 Y521	E237-L241 HydrophobicContact CB-CB 4.34Å; E237-L241 HydrophobicContact CB-CD2 4Å; E237-L241 VanDerWaalsContact CD-CD2 3.44Å; E237-L241 HydrophobicContact CG-CD2 3.83Å; P238-L241 WeakPolarHBondContact O-CB 3.34Å; P238-L241 PolarHBondContact O-N 3.5Å; F239-L241 PolarHBondContact O-N 2.86Å; L241-L243 VanDerWaalsContact C-N 3.3Å; L241-L243 PolarHBondContact O-N 2.96Å; L241-F244 HydrophobicContact CD1-CB 4.36Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.39Å; L241-T245 PolarHBondContact O-N 3.42Å; L241-T245 PolarHBondContact O-OG1 3.1Å; L241-G513 WeakPolarHBondContact CD2-O 3.43Å; L241-M514 HydrophobicContact CD1-CG 4.06Å; L241-Y521 HydrophobicContact CD1-CE2 3.86Å; L241-Y521 WeakPolarHBondContact CD1-OH 3.46Å
242	L	95.8	Very high	90.5	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-45.2	170	-179.5	64.7	0	0	0	111.3	L163 L166 I170 F239 T245 M246	L163-L242 HydrophobicContact CD1-CD2 3.6Å; L166-L242 HydrophobicContact CD2-CD2 4.34Å; I170-L242 HydrophobicContact CD1-CD1 3.77Å; I170-L242 HydrophobicContact CD1-CD2 4.22Å; I170-L242 HydrophobicContact CD1-CG 3.93Å; F239-L242 HydrophobicContact CD2-CD2 4.3Å; F239-L242 HydrophobicContact CE2-CD2 4.24Å; F239-L242 PolarHBondContact O-N 3.34Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 3.33Å; L242-M246 PolarHBondContact O-N 2.94Å
243	L	97.9	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-36.2	178.1	-60	170.7	0	0	0	112.4	L197 F239 A240 L241 T245 M246 V247 V263 L266 L267	L197-L243 HydrophobicContact CD2-CD2 4.26Å; F239-L243 HydrophobicContact CD1-CD1 4.06Å; F239-L243 HydrophobicContact CE1-CD1 3.69Å; F239-L243 HydrophobicContact CE1-CG 4.36Å; F239-L243 HydrophobicContact CE2-CD2 4.41Å; F239-L243 HydrophobicContact CE2-CG 4.38Å; F239-L243 HydrophobicContact CZ-CD1 3.97Å; F239-L243 HydrophobicContact CZ-CD2 4.09Å; F239-L243 HydrophobicContact CZ-CG 4.17Å; F239-L243 PolarHBondContact O-N 3.04Å; A240-L243 PolarHBondContact O-N 3.33Å; L241-L243 VanDerWaalsContact C-N 3.3Å; L241-L243 PolarHBondContact O-N 2.96Å; L243-T245 VanDerWaalsContact C-N 3.29Å; L243-T245 PolarHBondContact O-N 2.97Å; L243-M246 HydrophobicContact CD2-SD 4.04Å; L243-M246 WeakPolarHBondContact O-CB 3.47Å; L243-M246 PolarHBondContact O-N 2.97Å; L243-V247 PolarHBondContact O-N 3.14Å; L243-V247 VanDerWaalsContact O-N 3.1Å; L243-V263 HydrophobicContact CB-CG1 4.5Å; L243-V263 HydrophobicContact CD2-CG1 4.48Å; L243-L266 HydrophobicContact CD1-CB 4.37Å; L243-L266 HydrophobicContact CD1-CD2 4.32Å; L243-L266 HydrophobicContact CD1-CG 3.8Å; L243-L266 HydrophobicContact CD2-CD2 4.07Å; L243-L266 HydrophobicContact CD2-CG 4.37Å; L243-L267 HydrophobicContact CB-CB 4.01Å; L243-L267 HydrophobicContact CB-CD1 4.06Å; L243-L267 HydrophobicContact CB-CG 4.43Å; L243-L267 HydrophobicContact CD1-CB 4.07Å
244	F	97.6	Very high	91	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-38.2	169.1	-88.8	-60.2	0	0	0	112.3	A240 L241 V247 T248 L267 L510 M514 Y521 L525 L582 L586	A240-F244 WeakPolarHBondContact O-CD2 3.37Å; A240-F244 PolarHBondContact O-N 3.37Å; L241-F244 HydrophobicContact CD1-CB 4.36Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.39Å; F244-V247 WeakPolarHBondContact O-CB 3.47Å; F244-V247 PolarHBondContact O-N 3.27Å; F244-T248 PolarHBondContact O-N 3.21Å; F244-T248 PolarHBondContact O-OG1 3.46Å; F244-L267 HydrophobicContact CD1-CD2 3.86Å; F244-L267 HydrophobicContact CD2-CD1 3.85Å; F244-L267 HydrophobicContact CD2-CD2 4.49Å; F244-L267 HydrophobicContact CE1-CD2 3.83Å; F244-L267 HydrophobicContact CE2-CD1 3.74Å; F244-L267 HydrophobicContact CE2-CD2 4.46Å; F244-L267 HydrophobicContact CG-CD1 4.29Å; F244-L267 HydrophobicContact CG-CD2 4.18Å; F244-L267 HydrophobicContact CZ-CD1 4.09Å; F244-L267 HydrophobicContact CZ-CD2 4.12Å; F244-L267 HydrophobicContact CZ-CG 4.49Å; F244-L510 HydrophobicContact CE2-CD1 4.43Å; F244-M514 HydrophobicContact CD1-CE 4.27Å; F244-M514 HydrophobicContact CD2-CE 4.17Å; F244-M514 HydrophobicContact CD2-CG 4.34Å; F244-M514 HydrophobicContact CD2-SD 4.18Å; F244-M514 HydrophobicContact CE1-CE 3.83Å; F244-M514 HydrophobicContact CE2-CE 3.72Å; F244-M514 HydrophobicContact CE2-CG 4.39Å; F244-M514 HydrophobicContact CE2-SD 3.65Å; F244-M514 HydrophobicContact CG-CE 4.45Å; F244-M514 HydrophobicContact CZ-CE 3.56Å; F244-M514 HydrophobicContact CZ-SD 4.02Å; F244-Y521 HydrophobicContact CB-CD1 3.66Å; F244-Y521 HydrophobicContact CB-CE1 3.62Å; F244-Y521 HydrophobicContact CB-CG 4.31Å; F244-Y521 HydrophobicContact CD1-CD1 4.06Å; F244-Y521 HydrophobicContact CD1-CG 4.18Å; F244-Y521 HydrophobicContact CG-CD1 4.17Å; F244-Y521 HydrophobicContact CG-CG 4.4Å; F244-L525 HydrophobicContact CE1-CD1 4.13Å; F244-L582 HydrophobicContact CE1-CD2 4.19Å; F244-L582 HydrophobicContact CZ-CD1 4.29Å; F244-L582 HydrophobicContact CZ-CD2 4.21Å; F244-L586 HydrophobicContact CZ-CD1 4.03Å
245	T	95.4	Very high	92.1	Very high	37 Å²	37	32.4 Å²	32.4	23%	0.227	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-34.1	174.9	-67.5	0	0	0	0	112.4	L241 L242 L243 V247 T248 K249 Y521	L241-T245 PolarHBondContact O-N 3.42Å; L241-T245 PolarHBondContact O-OG1 3.1Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 3.33Å; L243-T245 VanDerWaalsContact C-N 3.29Å; L243-T245 PolarHBondContact O-N 2.97Å; T245-V247 VanDerWaalsContact C-N 3.34Å; T245-T248 WeakPolarHBondContact CA-OG1 3.48Å; T245-T248 PolarHBondContact O-N 3.21Å; T245-T248 PolarHBondContact O-OG1 3.35Å; T245-T248 VanDerWaalsContact O-OG1 3.11Å; T245-K249 HydrophobicContact CG2-CD 4.49Å; T245-K249 WeakPolarHBondContact O-CB 3.42Å; T245-K249 WeakPolarHBondContact O-CG 3.48Å; T245-K249 PolarHBondContact O-N 3.1Å; T245-Y521 PolarHBondContact OG1-OH 3.43Å
246	M	96.9	Very high	93	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-43.7	168.5	-64.6	-173.5	80.6	0	0	111.8	L166 I170 L193 L197 L242 L243 K249 F250 F258 V263	L166-M246 HydrophobicContact CD1-CE 4.28Å; L166-M246 HydrophobicContact CD1-SD 4.35Å; I170-M246 HydrophobicContact CD1-CE 4.1Å; I170-M246 HydrophobicContact CD1-CG 3.5Å; I170-M246 VanDerWaalsContact CD1-CG 3.5Å; I170-M246 HydrophobicContact CD1-SD 3.57Å; I170-M246 VanDerWaalsContact CD1-SD 3.57Å; I170-M246 HydrophobicContact CG1-CE 3.83Å; I170-M246 HydrophobicContact CG1-CG 3.85Å; I170-M246 HydrophobicContact CG1-SD 3.99Å; L193-M246 HydrophobicContact CD2-CE 4.34Å; L197-M246 HydrophobicContact CD1-CE 4.25Å; L197-M246 HydrophobicContact CD2-SD 4.42Å; L242-M246 PolarHBondContact O-N 2.94Å; L243-M246 HydrophobicContact CD2-SD 4.04Å; L243-M246 WeakPolarHBondContact O-CB 3.47Å; L243-M246 PolarHBondContact O-N 2.97Å; M246-K249 PolarHBondContact O-N 3.31Å; M246-F250 WeakPolarHBondContact O-CB 3.45Å; M246-F250 PolarHBondContact O-N 2.92Å; M246-F258 HydrophobicContact CB-CD2 3.98Å; M246-F258 HydrophobicContact CB-CE2 4.07Å; M246-F258 HydrophobicContact CE-CD1 4.47Å; M246-F258 HydrophobicContact CE-CD2 3.87Å; M246-F258 HydrophobicContact CE-CE2 4.05Å; M246-F258 HydrophobicContact CE-CG 4.09Å; M246-F258 HydrophobicContact CE-CZ 4.42Å; M246-F258 HydrophobicContact CG-CD2 4.41Å; M246-F258 HydrophobicContact CG-CE2 4.17Å; M246-V263 HydrophobicContact CB-CG1 3.87Å; M246-V263 HydrophobicContact CE-CG2 3.7Å; M246-V263 HydrophobicContact SD-CG1 4.2Å; M246-V263 HydrophobicContact SD-CG2 3.88Å
247	V	97.4	Very high	93.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-42.1	178.6	164.3	0	0	0	0	111.7	L243 F244 T245 C251 M260 V263 L264 L267 A524 L525 L528	L243-V247 PolarHBondContact O-N 3.14Å; L243-V247 VanDerWaalsContact O-N 3.1Å; F244-V247 WeakPolarHBondContact O-CB 3.47Å; F244-V247 PolarHBondContact O-N 3.27Å; T245-V247 VanDerWaalsContact C-N 3.34Å; V247-C251 WeakPolarHBondContact O-CB 3.41Å; V247-C251 PolarHBondContact O-N 2.91Å; V247-C251 PolarHBondContact O-SG 3.17Å; V247-M260 HydrophobicContact CG2-SD 4.18Å; V247-V263 HydrophobicContact CG2-CG1 3.91Å; V247-L264 HydrophobicContact CG2-CD2 3.9Å; V247-L267 HydrophobicContact CG2-CD2 4.4Å; V247-A524 HydrophobicContact CG1-CB 3.69Å; V247-L525 HydrophobicContact CG1-CD2 4.32Å; V247-L528 HydrophobicContact CG1-CD1 3.77Å
248	T	95.7	Very high	93.9	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.08	11%	0.113	C	C	.	.	H	α-helix	trans	-72.8	-39.6	176.6	51.6	0	0	0	0	112.9	F244 T245 F250 C251 S252 Q520 Y521 A524	F244-T248 PolarHBondContact O-N 3.21Å; F244-T248 PolarHBondContact O-OG1 3.46Å; T245-T248 WeakPolarHBondContact CA-OG1 3.48Å; T245-T248 PolarHBondContact O-N 3.21Å; T245-T248 PolarHBondContact O-OG1 3.35Å; T245-T248 VanDerWaalsContact O-OG1 3.11Å; T248-F250 VanDerWaalsContact C-N 3.34Å; T248-F250 PolarHBondContact O-N 3.31Å; T248-C251 PolarHBondContact O-N 3.2Å; T248-S252 VanDerWaalsContact O-CB 3.32Å; T248-S252 WeakPolarHBondContact O-CB 3.46Å; T248-S252 PolarHBondContact O-N 2.75Å; T248-S252 PolarHBondContact O-OG 2.88Å; T248-Q520 HydrophobicContact CG2-CB 4.05Å; T248-Y521 HydrophobicContact CG2-CD1 3.41Å; T248-Y521 VanDerWaalsContact CG2-CD1 3.41Å; T248-Y521 HydrophobicContact CG2-CE1 3.75Å; T248-Y521 HydrophobicContact CG2-CG 4.41Å; T248-A524 HydrophobicContact CG2-CB 4.04Å
249	K	94.3	Very high	94	Very high	48 Å²	48	20 Å²	20	21%	0.209	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-47.2	172	-82	-179.3	168.5	-178.3	0	111.4	I170 D171 T245 M246 S252 N254 A255 F258	I170-K249 HydrophobicContact CG2-CD 4.27Å; I170-K249 PolarHBondContact O-NZ 3Å; D171-K249 IonicContact OD1-NZ 2.96Å; D171-K249 PolarHBondContact OD1-NZ 2.94Å; T245-K249 HydrophobicContact CG2-CD 4.49Å; T245-K249 WeakPolarHBondContact O-CB 3.42Å; T245-K249 WeakPolarHBondContact O-CG 3.48Å; T245-K249 PolarHBondContact O-N 3.1Å; M246-K249 PolarHBondContact O-N 3.31Å; K249-S252 PolarHBondContact O-N 2.93Å; K249-N254 PolarHBondContact O-N 2.89Å; K249-A255 HydrophobicContact CB-CB 4.17Å; K249-A255 PolarHBondContact O-N 3.02Å; K249-F258 HydrophobicContact CB-CE2 4.07Å; K249-F258 HydrophobicContact CD-CE2 4.2Å; K249-F258 HydrophobicContact CD-CZ 4.48Å
250	F	94.2	Very high	94	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-51.7	175.9	179.7	-88.9	0	0	0	112.3	M246 T248 S252 M253 A255 F258 M260 L528 I543 N544 I545	M246-F250 WeakPolarHBondContact O-CB 3.45Å; M246-F250 PolarHBondContact O-N 2.92Å; T248-F250 VanDerWaalsContact C-N 3.34Å; T248-F250 PolarHBondContact O-N 3.31Å; F250-S252 PolarHBondContact O-N 3.11Å; F250-S252 VanDerWaalsContact O-N 3.09Å; F250-M253 PolarHBondContact O-N 2.95Å; F250-A255 WeakPolarHBondContact CD2-O 3.49Å; F250-F258 HydrophobicContact CD2-CB 4.13Å; F250-M260 HydrophobicContact CB-CE 3.62Å; F250-M260 HydrophobicContact CB-CG 4.34Å; F250-M260 HydrophobicContact CB-SD 3.81Å; F250-M260 HydrophobicContact CD1-CG 3.49Å; F250-M260 VanDerWaalsContact CD1-CG 3.49Å; F250-M260 HydrophobicContact CD1-SD 3.83Å; F250-M260 HydrophobicContact CD2-CE 4Å; F250-M260 HydrophobicContact CD2-CG 3.71Å; F250-M260 HydrophobicContact CD2-SD 4.27Å; F250-M260 HydrophobicContact CE1-CG 3.58Å; F250-M260 HydrophobicContact CE1-SD 4.49Å; F250-M260 HydrophobicContact CE2-CG 3.78Å; F250-M260 HydrophobicContact CG-CE 3.81Å; F250-M260 HydrophobicContact CG-CG 3.57Å; F250-M260 HydrophobicContact CG-SD 3.71Å; F250-M260 HydrophobicContact CZ-CG 3.71Å; F250-L528 HydrophobicContact CD1-CD2 4Å; F250-L528 HydrophobicContact CE1-CD2 3.73Å; F250-I543 HydrophobicContact CE1-CB 4.22Å; F250-I543 HydrophobicContact CE1-CD1 4.23Å; F250-N544 WeakPolarHBondContact CZ-O 3.29Å; F250-I545 HydrophobicContact CE1-CG2 4.34Å
251	C	93.3	Very high	94	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.027	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-7.3	-178.9	-74.5	0	0	0	0	115.5	V247 T248 A524 K527	V247-C251 WeakPolarHBondContact O-CB 3.41Å; V247-C251 PolarHBondContact O-N 2.91Å; V247-C251 PolarHBondContact O-SG 3.17Å; T248-C251 PolarHBondContact O-N 3.2Å; C251-A524 HydrophobicContact CB-CB 3.72Å; C251-A524 PolarHBondContact SG-O 3.06Å; C251-K527 HydrophobicContact CB-CD 4.09Å; C251-K527 PolarHBondContact O-NZ 2.75Å
252	S	90.9	Very high	94.1	Very high	63 Å²	63	19.7 Å²	19.7	44%	0.441	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	3.5	172.5	-51.3	0	0	0	0	112.5	T248 K249 F250 N254	T248-S252 VanDerWaalsContact O-CB 3.32Å; T248-S252 WeakPolarHBondContact O-CB 3.46Å; T248-S252 PolarHBondContact O-N 2.75Å; T248-S252 PolarHBondContact O-OG 2.88Å; K249-S252 PolarHBondContact O-N 2.93Å; F250-S252 PolarHBondContact O-N 3.11Å; F250-S252 VanDerWaalsContact O-N 3.09Å; S252-N254 PolarHBondContact O-N 3.37Å
253	M	85.4	Confident	94.2	Very high	92 Å²	92	18.4 Å²	18.4	45%	0.453	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	14.7	-173.3	-59.5	-63.3	-67.8	0	0	114.9	F250 A255 P256 I543	F250-M253 PolarHBondContact O-N 2.95Å; M253-A255 VanDerWaalsContact C-N 3.31Å; M253-P256 HydrophobicContact CE-CB 4.02Å; M253-I543 HydrophobicContact SD-CG2 4.04Å
254	N	87.2	Confident	94.3	Very high	108 Å²	108	18.5 Å²	18.5	58%	0.578	10%	0.102	S	C	*	.	S	Bend	trans	-82.8	-7.7	176.8	-67.9	-12.7	0	0	0	112.9	C176 K249 S252	C176-N254 PolarHBondContact SG-O 2.95Å; K249-N254 PolarHBondContact O-N 2.89Å; S252-N254 PolarHBondContact O-N 3.37Å
255	A	90.5	Very high	94.3	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.025	10%	0.102	C	C	.	.			trans	-156.3	66.6	174.6	0	0	0	0	0	111.5	K249 F250 M253 H257 F258	K249-A255 HydrophobicContact CB-CB 4.17Å; K249-A255 PolarHBondContact O-N 3.02Å; F250-A255 WeakPolarHBondContact CD2-O 3.49Å; M253-A255 VanDerWaalsContact C-N 3.31Å; A255-H257 PolarHBondContact O-N 3.45Å; A255-H257 VanDerWaalsContact O-N 3.12Å; A255-F258 HydrophobicContact CB-CD1 3.76Å; A255-F258 HydrophobicContact CB-CD2 3.64Å; A255-F258 HydrophobicContact CB-CE1 3.6Å; A255-F258 HydrophobicContact CB-CE2 3.47Å; A255-F258 VanDerWaalsContact CB-CE2 3.47Å; A255-F258 HydrophobicContact CB-CG 3.79Å; A255-F258 HydrophobicContact CB-CZ 3.45Å; A255-F258 VanDerWaalsContact CB-CZ 3.45Å; A255-F258 PolarHBondContact O-N 3.27Å
256	P	90.8	Very high	94.5	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.045	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.6	-170.1	31.8	-37.5	0	0	0	114.5	A179 V180 I185 M253	A179-P256 HydrophobicContact CB-CG 4.1Å; V180-P256 HydrophobicContact CG2-CG 3.84Å; I185-P256 HydrophobicContact CD1-CB 3.7Å; I185-P256 HydrophobicContact CD1-CG 3.79Å; M253-P256 HydrophobicContact CE-CB 4.02Å
257	H	91.9	Very high	94.5	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.6	176.3	61.4	-83.3	0	0	0	113.5	A179 I185 D189 S190 A255	A179-H257 HydrophobicContact CB-CB 3.79Å; A179-H257 WeakPolarHBondContact CB-ND1 3.25Å; I185-H257 HydrophobicContact CG2-CB 4.03Å; D189-H257 HydrophobicContact CB-CB 4.25Å; S190-H257 WeakPolarHBondContact CB-O 3.45Å; A255-H257 PolarHBondContact O-N 3.45Å; A255-H257 VanDerWaalsContact O-N 3.12Å
258	F	95.1	Very high	94.6	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.013	9%	0.091	C	C	.	.	S	Bend	trans	-60.8	132.7	-177.2	-74.4	-2.1	0	0	0	111.8	I170 L193 M246 K249 F250 A255 M260	I170-F258 HydrophobicContact CB-CZ 4.42Å; I170-F258 HydrophobicContact CG1-CZ 4.25Å; L193-F258 HydrophobicContact CD1-CD1 3.37Å; L193-F258 HydrophobicContact CD1-CE1 3.68Å; L193-F258 HydrophobicContact CD1-CG 4.35Å; M246-F258 HydrophobicContact CB-CD2 3.98Å; M246-F258 HydrophobicContact CB-CE2 4.07Å; M246-F258 HydrophobicContact CE-CD1 4.47Å; M246-F258 HydrophobicContact CE-CD2 3.87Å; M246-F258 HydrophobicContact CE-CE2 4.05Å; M246-F258 HydrophobicContact CE-CG 4.09Å; M246-F258 HydrophobicContact CE-CZ 4.42Å; M246-F258 HydrophobicContact CG-CD2 4.41Å; M246-F258 HydrophobicContact CG-CE2 4.17Å; K249-F258 HydrophobicContact CB-CE2 4.07Å; K249-F258 HydrophobicContact CD-CE2 4.2Å; K249-F258 HydrophobicContact CD-CZ 4.48Å; F250-F258 HydrophobicContact CD2-CB 4.13Å; A255-F258 HydrophobicContact CB-CD1 3.76Å; A255-F258 HydrophobicContact CB-CD2 3.64Å; A255-F258 HydrophobicContact CB-CE1 3.6Å; A255-F258 HydrophobicContact CB-CE2 3.47Å; A255-F258 VanDerWaalsContact CB-CE2 3.47Å; A255-F258 HydrophobicContact CB-CG 3.79Å; A255-F258 HydrophobicContact CB-CZ 3.45Å; A255-F258 VanDerWaalsContact CB-CZ 3.45Å; A255-F258 PolarHBondContact O-N 3.27Å; F258-M260 HydrophobicContact CB-CE 3.43Å; F258-M260 VanDerWaalsContact CB-CE 3.43Å; F258-M260 HydrophobicContact CD2-CE 4.26Å; F258-M260 HydrophobicContact CG-CE 4.39Å; F258-M260 PolarHBondContact O-N 3.06Å
259	P	95.6	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.			trans	-78.5	84	-174.1	32.5	-36.3	0	0	0	111.3	L193 R194 L197 K261 K262 V263 D548	L193-P259 HydrophobicContact CB-CG 4.25Å; R194-P259 HydrophobicContact CG-CB 3.68Å; R194-P259 HydrophobicContact CG-CG 3.78Å; L197-P259 HydrophobicContact CD1-CG 3.63Å; P259-K261 VanDerWaalsContact C-N 3.25Å; P259-K261 PolarHBondContact O-N 3Å; P259-K261 VanDerWaalsContact O-N 3.15Å; P259-K262 PolarHBondContact O-N 3.14Å; P259-V263 PolarHBondContact O-N 3.39Å; P259-V263 VanDerWaalsContact O-N 3.11Å; P259-D548 HydrophobicContact CB-CB 3.66Å
260	M	95.7	Very high	94.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-29.4	-169.4	-78.5	-60.3	102.9	0	0	114.6	V247 F250 F258 V263 L264 L528 I575	V247-M260 HydrophobicContact CG2-SD 4.18Å; F250-M260 HydrophobicContact CB-CE 3.62Å; F250-M260 HydrophobicContact CB-CG 4.34Å; F250-M260 HydrophobicContact CB-SD 3.81Å; F250-M260 HydrophobicContact CD1-CG 3.49Å; F250-M260 VanDerWaalsContact CD1-CG 3.49Å; F250-M260 HydrophobicContact CD1-SD 3.83Å; F250-M260 HydrophobicContact CD2-CE 4Å; F250-M260 HydrophobicContact CD2-CG 3.71Å; F250-M260 HydrophobicContact CD2-SD 4.27Å; F250-M260 HydrophobicContact CE1-CG 3.58Å; F250-M260 HydrophobicContact CE1-SD 4.49Å; F250-M260 HydrophobicContact CE2-CG 3.78Å; F250-M260 HydrophobicContact CG-CE 3.81Å; F250-M260 HydrophobicContact CG-CG 3.57Å; F250-M260 HydrophobicContact CG-SD 3.71Å; F250-M260 HydrophobicContact CZ-CG 3.71Å; F258-M260 HydrophobicContact CB-CE 3.43Å; F258-M260 VanDerWaalsContact CB-CE 3.43Å; F258-M260 HydrophobicContact CD2-CE 4.26Å; F258-M260 HydrophobicContact CG-CE 4.39Å; F258-M260 PolarHBondContact O-N 3.06Å; M260-V263 HydrophobicContact CE-CB 4.06Å; M260-V263 HydrophobicContact CE-CG1 4.27Å; M260-V263 HydrophobicContact CE-CG2 3.88Å; M260-L264 VanDerWaalsContact O-CB 3.25Å; M260-L264 WeakPolarHBondContact O-CB 3.27Å; M260-L264 WeakPolarHBondContact O-CD1 3.36Å; M260-L264 WeakPolarHBondContact O-CG 3.41Å; M260-L264 PolarHBondContact O-N 2.92Å; M260-L528 HydrophobicContact CB-CD2 4.44Å; M260-L528 HydrophobicContact CG-CD2 4.04Å; M260-L528 HydrophobicContact SD-CD1 4.26Å; M260-I575 HydrophobicContact CB-CD1 4.42Å
261	K	96.7	Very high	95.1	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-60.2	-49.4	174.6	-173.7	-172.1	67.5	171.4	0	110.5	E61 L62 Y63 S64 P259 L265 D548 I574	E61-K261 WeakPolarHBondContact O-CD 3.5Å; E61-K261 WeakPolarHBondContact O-CE 3.49Å; E61-K261 PolarHBondContact O-NZ 3.18Å; L62-K261 WeakPolarHBondContact O-CE 3.26Å; L62-K261 PolarHBondContact O-NZ 2.78Å; Y63-K261 PolarHBondContact O-NZ 2.88Å; Y63-K261 VanDerWaalsContact O-NZ 3.07Å; S64-K261 PolarHBondContact OG-NZ 2.97Å; P259-K261 VanDerWaalsContact C-N 3.25Å; P259-K261 PolarHBondContact O-N 3Å; P259-K261 VanDerWaalsContact O-N 3.15Å; K261-L265 HydrophobicContact CG-CD1 4.12Å; K261-L265 VanDerWaalsContact O-CB 3.28Å; K261-L265 WeakPolarHBondContact O-CB 3.28Å; K261-L265 VanDerWaalsContact O-CG 3.28Å; K261-L265 WeakPolarHBondContact O-CG 3.36Å; K261-L265 PolarHBondContact O-N 3.21Å; K261-D548 WeakPolarHBondContact CB-OD2 3.19Å; K261-D548 PolarHBondContact N-OD2 3.26Å; K261-I574 HydrophobicContact CD-CB 4.48Å; K261-I574 HydrophobicContact CD-CD1 4.1Å; K261-I574 HydrophobicContact CD-CG2 4.15Å; K261-I574 HydrophobicContact CG-CB 4.39Å; K261-I574 HydrophobicContact CG-CG2 3.75Å
262	K	97.8	Very high	95.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.4	-43.9	-179.2	-64.4	-170.8	159.9	62.5	0	111.6	L62 E67 R194 L197 S198 P259 L266	L62-K262 HydrophobicContact CD1-CD 4.26Å; L62-K262 HydrophobicContact CD1-CG 3.99Å; L62-K262 PolarHBondContact O-NZ 3.07Å; E67-K262 IonicContact OE1-NZ 2.61Å; E67-K262 PolarHBondContact OE1-NZ 3.22Å; E67-K262 IonicContact OE2-NZ 2.7Å; E67-K262 PolarHBondContact OE2-NZ 3.18Å; R194-K262 HydrophobicContact CB-CD 4.2Å; R194-K262 HydrophobicContact CG-CD 4.23Å; L197-K262 HydrophobicContact CB-CB 4.12Å; L197-K262 HydrophobicContact CD1-CB 4.31Å; S198-K262 WeakPolarHBondContact OG-CE 3.18Å; P259-K262 PolarHBondContact O-N 3.14Å; K262-L266 VanDerWaalsContact O-CB 3.29Å; K262-L266 WeakPolarHBondContact O-CB 3.37Å; K262-L266 PolarHBondContact O-N 2.85Å
263	V	98.4	Very high	95.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-47.6	176.7	178	0	0	0	0	111.7	L197 L243 M246 V247 P259 M260 L267	L197-V263 HydrophobicContact CD1-CG2 3.66Å; L197-V263 HydrophobicContact CD2-CG2 4.49Å; L243-V263 HydrophobicContact CB-CG1 4.5Å; L243-V263 HydrophobicContact CD2-CG1 4.48Å; M246-V263 HydrophobicContact CB-CG1 3.87Å; M246-V263 HydrophobicContact CE-CG2 3.7Å; M246-V263 HydrophobicContact SD-CG1 4.2Å; M246-V263 HydrophobicContact SD-CG2 3.88Å; V247-V263 HydrophobicContact CG2-CG1 3.91Å; P259-V263 PolarHBondContact O-N 3.39Å; P259-V263 VanDerWaalsContact O-N 3.11Å; M260-V263 HydrophobicContact CE-CB 4.06Å; M260-V263 HydrophobicContact CE-CG1 4.27Å; M260-V263 HydrophobicContact CE-CG2 3.88Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 PolarHBondContact O-N 2.84Å
264	L	98.6	Very high	96.2	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-69.8	-38.5	-178.5	-71.3	170.2	0	0	0	112.9	V247 M260 W268 L525 L528 I575 A578 I579	V247-L264 HydrophobicContact CG2-CD2 3.9Å; M260-L264 VanDerWaalsContact O-CB 3.25Å; M260-L264 WeakPolarHBondContact O-CB 3.27Å; M260-L264 WeakPolarHBondContact O-CD1 3.36Å; M260-L264 WeakPolarHBondContact O-CG 3.41Å; M260-L264 PolarHBondContact O-N 2.92Å; L264-W268 VanDerWaalsContact O-CB 3.32Å; L264-W268 WeakPolarHBondContact O-CB 3.22Å; L264-W268 PolarHBondContact O-N 2.95Å; L264-L525 HydrophobicContact CD2-CD2 3.91Å; L264-L528 HydrophobicContact CD1-CD1 4.27Å; L264-L528 HydrophobicContact CD2-CD1 4.28Å; L264-I575 HydrophobicContact CD1-CB 4.37Å; L264-I575 HydrophobicContact CD1-CD1 4.25Å; L264-I575 HydrophobicContact CD1-CG1 4.03Å; L264-I575 HydrophobicContact CD1-CG2 3.86Å; L264-A578 HydrophobicContact CB-CB 4.08Å; L264-I579 HydrophobicContact CD1-CD1 3.91Å; L264-I579 HydrophobicContact CD1-CG1 3.95Å; L264-I579 HydrophobicContact CD2-CG1 4Å
265	L	98.5	Very high	96.7	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-60.5	-53.7	173.1	-81.7	177.2	0	0	0	110.3	E61 Y201 K261 L267 W268 K269 I574 A578	E61-L265 HydrophobicContact CB-CD1 4.49Å; Y201-L265 HydrophobicContact CD2-CB 4.02Å; Y201-L265 HydrophobicContact CE2-CB 3.64Å; Y201-L265 HydrophobicContact CE2-CG 4.48Å; K261-L265 HydrophobicContact CG-CD1 4.12Å; K261-L265 VanDerWaalsContact O-CB 3.28Å; K261-L265 WeakPolarHBondContact O-CB 3.28Å; K261-L265 VanDerWaalsContact O-CG 3.28Å; K261-L265 WeakPolarHBondContact O-CG 3.36Å; K261-L265 PolarHBondContact O-N 3.21Å; L265-L267 PolarHBondContact O-N 3.49Å; L265-W268 HydrophobicContact CD2-CE3 4.19Å; L265-W268 HydrophobicContact CD2-CZ3 4.31Å; L265-W268 PolarHBondContact O-N 2.82Å; L265-K269 WeakPolarHBondContact O-CG 3.43Å; L265-K269 PolarHBondContact O-N 3.21Å; L265-I574 HydrophobicContact CD1-CG2 3.91Å; L265-I574 HydrophobicContact CD2-CG2 3.88Å; L265-I574 HydrophobicContact CG-CG2 3.96Å; L265-A578 HydrophobicContact CD2-CB 4.46Å
266	L	98.7	Very high	96.9	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-60	-42.7	178.9	-178.4	54.2	0	0	0	112.4	L197 M200 Y201 V204 F239 L243 K262 W268 K269 T270	L197-L266 HydrophobicContact CD2-CD2 3.71Å; M200-L266 HydrophobicContact CB-CD1 4.45Å; M200-L266 HydrophobicContact CB-CD2 3.84Å; Y201-L266 HydrophobicContact CD2-CB 4.34Å; V204-L266 HydrophobicContact CB-CD1 4.02Å; V204-L266 HydrophobicContact CG1-CD1 4.47Å; V204-L266 HydrophobicContact CG2-CD1 3.84Å; F239-L266 HydrophobicContact CE1-CD1 4.09Å; F239-L266 HydrophobicContact CE1-CD2 4.06Å; F239-L266 HydrophobicContact CE1-CG 4.01Å; F239-L266 HydrophobicContact CZ-CD2 3.86Å; F239-L266 HydrophobicContact CZ-CG 4.3Å; L243-L266 HydrophobicContact CD1-CB 4.37Å; L243-L266 HydrophobicContact CD1-CD2 4.32Å; L243-L266 HydrophobicContact CD1-CG 3.8Å; L243-L266 HydrophobicContact CD2-CD2 4.07Å; L243-L266 HydrophobicContact CD2-CG 4.37Å; K262-L266 VanDerWaalsContact O-CB 3.29Å; K262-L266 WeakPolarHBondContact O-CB 3.37Å; K262-L266 PolarHBondContact O-N 2.85Å; L266-W268 PolarHBondContact O-N 3.33Å; L266-K269 PolarHBondContact O-N 3.36Å; L266-T270 VanDerWaalsContact O-CB 3.27Å; L266-T270 WeakPolarHBondContact O-CB 3.42Å; L266-T270 PolarHBondContact O-N 2.91Å; L266-T270 PolarHBondContact O-OG1 2.8Å
267	L	98.8	Very high	97.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-60.7	-46	175.7	173.7	56.2	0	0	0	111.7	A240 L243 F244 V247 V263 L265 V271 L582	A240-L267 HydrophobicContact CB-CD1 4.04Å; A240-L267 WeakPolarHBondContact O-CD1 3.45Å; L243-L267 HydrophobicContact CB-CB 4.01Å; L243-L267 HydrophobicContact CB-CD1 4.06Å; L243-L267 HydrophobicContact CB-CG 4.43Å; L243-L267 HydrophobicContact CD1-CB 4.07Å; F244-L267 HydrophobicContact CD1-CD2 3.86Å; F244-L267 HydrophobicContact CD2-CD1 3.85Å; F244-L267 HydrophobicContact CD2-CD2 4.49Å; F244-L267 HydrophobicContact CE1-CD2 3.83Å; F244-L267 HydrophobicContact CE2-CD1 3.74Å; F244-L267 HydrophobicContact CE2-CD2 4.46Å; F244-L267 HydrophobicContact CG-CD1 4.29Å; F244-L267 HydrophobicContact CG-CD2 4.18Å; F244-L267 HydrophobicContact CZ-CD1 4.09Å; F244-L267 HydrophobicContact CZ-CD2 4.12Å; F244-L267 HydrophobicContact CZ-CG 4.49Å; V247-L267 HydrophobicContact CG2-CD2 4.4Å; V263-L267 WeakPolarHBondContact O-CB 3.49Å; V263-L267 PolarHBondContact O-N 2.84Å; L265-L267 PolarHBondContact O-N 3.49Å; L267-V271 HydrophobicContact CD1-CG2 4.03Å; L267-V271 WeakPolarHBondContact O-CB 3.41Å; L267-V271 WeakPolarHBondContact O-CG2 3.39Å; L267-V271 PolarHBondContact O-N 3.06Å; L267-L582 HydrophobicContact CD2-CD2 3.63Å; L267-L582 HydrophobicContact CG-CD1 4.22Å; L267-L582 HydrophobicContact CG-CD2 3.85Å
268	W	98.5	Very high	97.1	Very high	1 Å²	1	2.7 Å²	2.7	0%	0.004	2%	0.015	C	C	.	.	H	α-helix	trans	-63.4	-46.9	177.5	169.9	35.7	0	0	0	112	D51 L264 L265 L266 V271 L272 K577 A578 A581 L582 F667	D51-W268 VanDerWaalsContact O-CZ2 3.31Å; D51-W268 WeakPolarHBondContact O-CZ2 3.28Å; L264-W268 VanDerWaalsContact O-CB 3.32Å; L264-W268 WeakPolarHBondContact O-CB 3.22Å; L264-W268 PolarHBondContact O-N 2.95Å; L265-W268 HydrophobicContact CD2-CE3 4.19Å; L265-W268 HydrophobicContact CD2-CZ3 4.31Å; L265-W268 PolarHBondContact O-N 2.82Å; L266-W268 PolarHBondContact O-N 3.33Å; W268-V271 PolarHBondContact O-N 3.15Å; W268-L272 VanDerWaalsContact O-CB 3.27Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 3.47Å; W268-K577 HydrophobicContact CH2-CG 4.21Å; W268-K577 HydrophobicContact CZ3-CD 4.42Å; W268-K577 HydrophobicContact CZ3-CG 4.11Å; W268-A578 HydrophobicContact CB-CB 4.5Å; W268-A578 HydrophobicContact CE3-CB 4.18Å; W268-A581 HydrophobicContact CD2-CB 3.98Å; W268-A581 HydrophobicContact CG-CB 4.26Å; W268-A581 HydrophobicContact CZ2-CB 3.65Å; W268-A581 VanDerWaalsContact NE1-CB 3.27Å; W268-L582 HydrophobicContact CB-CB 4.46Å; W268-F667 HydrophobicContact CH2-CE1 4.27Å; W268-F667 HydrophobicContact CH2-CZ 4.47Å; W268-F667 HydrophobicContact CZ2-CE1 4.16Å; W268-F667 HydrophobicContact CZ2-CZ 4.03Å
269	K	98.3	Very high	97	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66	-38.4	178.6	-59.2	-48.8	-172.9	144	0	112.5	E58 Y201 V204 E205 L265 L266 L272 F273	E58-K269 IonicContact OE1-NZ 3.49Å; E58-K269 VanDerWaalsContact OE2-CE 3.31Å; E58-K269 WeakPolarHBondContact OE2-CE 3.3Å; E58-K269 IonicContact OE2-NZ 2.71Å; E58-K269 PolarHBondContact OE2-NZ 2.98Å; Y201-K269 HydrophobicContact CD2-CG 4.29Å; Y201-K269 HydrophobicContact CE2-CG 3.53Å; Y201-K269 WeakPolarHBondContact OH-CE 3.27Å; V204-K269 HydrophobicContact CG1-CB 3.89Å; E205-K269 VanDerWaalsContact CD-NZ 3.31Å; E205-K269 IonicContact OE1-NZ 3.55Å; E205-K269 PolarHBondContact OE1-NZ 3.21Å; E205-K269 WeakPolarHBondContact OE2-CD 3.46Å; E205-K269 WeakPolarHBondContact OE2-CG 3.41Å; E205-K269 IonicContact OE2-NZ 2.62Å; E205-K269 PolarHBondContact OE2-NZ 3.05Å; L265-K269 WeakPolarHBondContact O-CG 3.43Å; L265-K269 PolarHBondContact O-N 3.21Å; L266-K269 PolarHBondContact O-N 3.36Å; K269-L272 PolarHBondContact O-N 3.31Å; K269-F273 VanDerWaalsContact O-CB 3.31Å; K269-F273 WeakPolarHBondContact O-CB 3.36Å; K269-F273 PolarHBondContact O-N 2.85Å
270	T	98.3	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.7	-53.2	174.1	-58.1	0	0	0	0	110.4	F239 A240 L266 L272 F273 T274	F239-T270 HydrophobicContact CD1-CG2 3.86Å; A240-T270 HydrophobicContact CB-CG2 4.09Å; L266-T270 VanDerWaalsContact O-CB 3.27Å; L266-T270 WeakPolarHBondContact O-CB 3.42Å; L266-T270 PolarHBondContact O-N 2.91Å; L266-T270 PolarHBondContact O-OG1 2.8Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.45Å; T270-F273 PolarHBondContact O-N 3.19Å; T270-F273 VanDerWaalsContact O-N 3.16Å; T270-T274 HydrophobicContact CG2-CG2 4.4Å; T270-T274 WeakPolarHBondContact O-CG2 3.5Å; T270-T274 PolarHBondContact O-N 3.03Å; T270-T274 PolarHBondContact O-OG1 3.38Å; T270-T274 VanDerWaalsContact O-OG1 3.06Å
271	V	98.3	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.8	-34	179.2	172.3	0	0	0	0	112.2	A240 L267 W268 L275 L510 L582 L586	A240-V271 HydrophobicContact CB-CG2 3.91Å; L267-V271 HydrophobicContact CD1-CG2 4.03Å; L267-V271 WeakPolarHBondContact O-CB 3.41Å; L267-V271 WeakPolarHBondContact O-CG2 3.39Å; L267-V271 PolarHBondContact O-N 3.06Å; W268-V271 PolarHBondContact O-N 3.15Å; V271-L275 HydrophobicContact CG1-CD1 3.74Å; V271-L275 HydrophobicContact CG1-CG 4.15Å; V271-L275 VanDerWaalsContact O-CB 3.3Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.38Å; V271-L275 VanDerWaalsContact O-N 3.15Å; V271-L510 HydrophobicContact CG2-CD2 4.21Å; V271-L582 HydrophobicContact CB-CD1 3.97Å; V271-L582 HydrophobicContact CG1-CD1 4.06Å; V271-L582 HydrophobicContact CG2-CD1 3.89Å; V271-L586 HydrophobicContact CG1-CD2 4.23Å
272	L	97.9	Very high	96.7	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-38.4	173.9	176.5	61.4	0	0	0	112	D51 W268 K269 T270 G276 L585	D51-L272 HydrophobicContact CB-CD1 3.99Å; D51-L272 HydrophobicContact CB-CD2 4.31Å; W268-L272 VanDerWaalsContact O-CB 3.27Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 3.47Å; K269-L272 PolarHBondContact O-N 3.31Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.45Å; L272-G276 CarbonylContact O-C 3.54Å; L272-G276 VanDerWaalsContact O-C 3.32Å; L272-G276 WeakPolarHBondContact O-CA 3.49Å; L272-G276 PolarHBondContact O-N 2.79Å; L272-L585 HydrophobicContact CB-CD1 4.02Å; L272-L585 HydrophobicContact CD1-CD1 4.03Å; L272-L585 HydrophobicContact CD1-CD2 4.2Å
273	F	97.8	Very high	96.5	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-75.8	-46.4	-178.9	-175.5	-154.1	0	0	0	112.1	V204 V207 R208 R222 F225 K226 L229 K269 T270	V204-F273 HydrophobicContact CG1-CD1 4.5Å; V207-F273 HydrophobicContact CG1-CZ 4.27Å; R208-F273 HydrophobicContact CB-CB 4.16Å; R208-F273 HydrophobicContact CB-CD1 4.23Å; R208-F273 HydrophobicContact CB-CD2 3.92Å; R208-F273 HydrophobicContact CB-CE2 4.38Å; R208-F273 HydrophobicContact CB-CG 3.85Å; R208-F273 HydrophobicContact CG-CB 3.83Å; R208-F273 HydrophobicContact CG-CD2 3.79Å; R208-F273 HydrophobicContact CG-CG 3.88Å; R222-F273 HydrophobicContact CG-CE2 4Å; R222-F273 HydrophobicContact CG-CZ 3.85Å; F225-F273 AromaticContact CD1-CE1 3.85Å; F225-F273 HydrophobicContact CD1-CE1 3.85Å; F225-F273 HydrophobicContact CE1-CE1 4.45Å; F225-F273 HydrophobicContact CG-CE1 4.44Å; K226-F273 HydrophobicContact CB-CD2 4.36Å; K226-F273 HydrophobicContact CB-CE1 4.21Å; K226-F273 HydrophobicContact CB-CE2 3.74Å; K226-F273 HydrophobicContact CB-CZ 3.66Å; K226-F273 HydrophobicContact CD-CD2 4.18Å; K226-F273 HydrophobicContact CD-CE2 3.99Å; K226-F273 WeakPolarHBondContact CD-O 3.46Å; K226-F273 WeakPolarHBondContact CE-O 3.42Å; K226-F273 HydrophobicContact CG-CD2 4.21Å; K226-F273 HydrophobicContact CG-CE2 4.03Å; K226-F273 HydrophobicContact CG-CZ 4.38Å; K226-F273 PolarHBondContact NZ-O 3.37Å; L229-F273 HydrophobicContact CD1-CD1 3.66Å; L229-F273 HydrophobicContact CD1-CE1 3.88Å; K269-F273 VanDerWaalsContact O-CB 3.31Å; K269-F273 WeakPolarHBondContact O-CB 3.36Å; K269-F273 PolarHBondContact O-N 2.85Å; T270-F273 PolarHBondContact O-N 3.19Å; T270-F273 VanDerWaalsContact O-N 3.16Å
274	T	97.1	Very high	96.4	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	11%	0.114	C	C	.	.	H	α-helix	trans	-73.5	-44	-177.1	58.5	0	0	0	0	112.7	L229 T270	L229-T274 HydrophobicContact CB-CG2 3.57Å; T270-T274 HydrophobicContact CG2-CG2 4.4Å; T270-T274 WeakPolarHBondContact O-CG2 3.5Å; T270-T274 PolarHBondContact O-N 3.03Å; T270-T274 PolarHBondContact O-OG1 3.38Å; T270-T274 VanDerWaalsContact O-OG1 3.06Å
275	L	96.7	Very high	96.2	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-85.8	-23	179.5	-50.7	-170.7	0	0	0	113.1	V271 P506 A507 L510 H589	V271-L275 HydrophobicContact CG1-CD1 3.74Å; V271-L275 HydrophobicContact CG1-CG 4.15Å; V271-L275 VanDerWaalsContact O-CB 3.3Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.38Å; V271-L275 VanDerWaalsContact O-N 3.15Å; L275-P506 HydrophobicContact CD2-CB 3.83Å; L275-A507 HydrophobicContact CD2-CB 4.2Å; L275-L510 HydrophobicContact CD1-CD2 4.15Å; L275-H589 VanDerWaalsContact CB-CD2 3.43Å; L275-H589 WeakPolarHBondContact CB-CD2 3.4Å; L275-H589 WeakPolarHBondContact CB-NE2 3.27Å; L275-H589 HydrophobicContact CD1-CB 3.87Å; L275-H589 PolarHBondContact O-CE1 2.87Å; L275-H589 PolarHBondContact O-NE2 2.77Å
276	G	95.9	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.			trans	93.4	158.9	-179.4	0	0	0	0	0	114.9	L272 E280 H589	L272-G276 CarbonylContact O-C 3.54Å; L272-G276 VanDerWaalsContact O-C 3.32Å; L272-G276 WeakPolarHBondContact O-CA 3.49Å; L272-G276 PolarHBondContact O-N 2.79Å; G276-E280 WeakPolarHBondContact CA-OE2 3.37Å; G276-H589 PolarHBondContact O-NE2 3.09Å
277	G	94.6	Very high	95.8	Very high	7 Å²	7	29.5 Å²	29.5	7%	0.072	15%	0.149	C	C	.	.			trans	-75.4	-170.7	-178.3	0	0	0	0	0	115.7	E279 L281	G277-E279 VanDerWaalsContact C-N 3.33Å; G277-E279 PolarHBondContact O-N 3.09Å; G277-L281 VanDerWaalsContact O-CB 3.27Å; G277-L281 WeakPolarHBondContact O-CB 3.32Å; G277-L281 PolarHBondContact O-N 2.88Å
278	F	92.5	Very high	95.6	Very high	16 Å²	16	30 Å²	30	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-30.8	179.4	-67.4	-13.4	0	0	0	113.4	Y49 D51 Q282 I302 L584 L585 K588 R674	Y49-F278 HydrophobicContact CD1-CE2 4.43Å; Y49-F278 HydrophobicContact CE1-CD2 4.15Å; Y49-F278 AromaticContact CE1-CE2 3.52Å; Y49-F278 HydrophobicContact CE1-CE2 3.52Å; Y49-F278 HydrophobicContact CE1-CZ 4.42Å; Y49-F278 AromaticContact CZ-CE2 3.73Å; D51-F278 WeakPolarHBondContact OD1-CD1 3.28Å; D51-F278 WeakPolarHBondContact OD1-CD2 3.28Å; D51-F278 WeakPolarHBondContact OD1-CG 3.32Å; D51-F278 PolarHBondContact OD1-N 3.49Å; D51-F278 WeakPolarHBondContact OD2-CB 3.49Å; D51-F278 PolarHBondContact OD2-N 3.37Å; F278-Q282 WeakPolarHBondContact O-CB 3.48Å; F278-Q282 PolarHBondContact O-N 2.69Å; F278-I302 HydrophobicContact CB-CD1 3.95Å; F278-I302 HydrophobicContact CD2-CD1 4.06Å; F278-I302 HydrophobicContact CG-CD1 4.22Å; F278-L584 HydrophobicContact CZ-CD2 4.17Å; F278-L585 HydrophobicContact CD1-CD2 4.13Å; F278-L585 HydrophobicContact CE1-CD2 3.85Å; F278-K588 HydrophobicContact CD1-CD 4.24Å; F278-K588 HydrophobicContact CE1-CD 4Å; F278-R674 VanDerWaalsContact CE2-NH1 3.29Å
279	E	91.8	Very high	95.5	Very high	111 Å²	111	30.3 Å²	30.3	52%	0.519	15%	0.154	S	C	.	.	H	α-helix	trans	-76.6	-50.6	175	-176.5	141.6	-129.3	0	0	111.6	G277 L281 Q282 Q283 K303	G277-E279 VanDerWaalsContact C-N 3.33Å; G277-E279 PolarHBondContact O-N 3.09Å; E279-L281 PolarHBondContact O-N 3.35Å; E279-Q282 WeakPolarHBondContact O-CA 3.12Å; E279-Q282 WeakPolarHBondContact O-CB 3.37Å; E279-Q282 PolarHBondContact O-N 3.06Å; E279-Q283 WeakPolarHBondContact O-CG 3.19Å; E279-Q283 PolarHBondContact O-N 3.21Å; E279-K303 IonicContact OE1-NZ 2.68Å; E279-K303 PolarHBondContact OE1-NZ 2.81Å
280	E	93.6	Very high	95.3	Very high	66 Å²	66	36.5 Å²	36.5	31%	0.308	18%	0.183	S	C	.	.	H	α-helix	trans	-51.2	-51.6	173	-74.7	175.1	-111.3	0	0	111.2	K226 G276 Q282 Q283 M284	K226-E280 IonicContact NZ-OE2 2.63Å; K226-E280 PolarHBondContact NZ-OE2 3.38Å; G276-E280 WeakPolarHBondContact CA-OE2 3.37Å; E280-Q282 VanDerWaalsContact C-N 3.25Å; E280-Q282 PolarHBondContact O-N 2.79Å; E280-Q283 WeakPolarHBondContact O-CB 3.42Å; E280-Q283 PolarHBondContact O-N 3.28Å; E280-M284 VanDerWaalsContact O-CG 3.29Å; E280-M284 WeakPolarHBondContact O-CG 3.27Å; E280-M284 PolarHBondContact O-N 3.07Å
281	L	94.4	Very high	95.1	Very high	14 Å²	14	45 Å²	45	7%	0.073	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-38.8	175.4	176	85.5	0	0	0	112.7	G277 E279 K285 K588 H589 L592	G277-L281 VanDerWaalsContact O-CB 3.27Å; G277-L281 WeakPolarHBondContact O-CB 3.32Å; G277-L281 PolarHBondContact O-N 2.88Å; E279-L281 PolarHBondContact O-N 3.35Å; L281-K285 WeakPolarHBondContact O-CB 3.45Å; L281-K285 PolarHBondContact O-N 3.2Å; L281-K588 HydrophobicContact CD1-CB 4.49Å; L281-K588 HydrophobicContact CD2-CB 3.7Å; L281-K588 HydrophobicContact CD2-CD 4.01Å; L281-K588 HydrophobicContact CD2-CG 4.2Å; L281-H589 WeakPolarHBondContact CD1-ND1 3.43Å; L281-L592 HydrophobicContact CD1-CB 4.2Å; L281-L592 HydrophobicContact CD1-CD2 3.76Å
282	Q	93.4	Very high	95	Very high	41 Å²	41	48.4 Å²	48.4	19%	0.192	23%	0.233	C	C	.	.	H	α-helix	trans	-71.6	-34.1	-179.8	175.2	59.6	22.5	0	0	111.1	F278 E279 E280 V286	F278-Q282 WeakPolarHBondContact O-CB 3.48Å; F278-Q282 PolarHBondContact O-N 2.69Å; E279-Q282 WeakPolarHBondContact O-CA 3.12Å; E279-Q282 WeakPolarHBondContact O-CB 3.37Å; E279-Q282 PolarHBondContact O-N 3.06Å; E280-Q282 VanDerWaalsContact C-N 3.25Å; E280-Q282 PolarHBondContact O-N 2.79Å; Q282-V286 WeakPolarHBondContact O-CG2 3.49Å; Q282-V286 PolarHBondContact O-N 3.23Å; Q282-V286 VanDerWaalsContact O-N 3.11Å
283	Q	94.7	Very high	94.8	Very high	123 Å²	123	53.6 Å²	53.6	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-67	-50.9	170.4	-63.6	171.8	5.6	0	0	111.3	E279 E280 K285 V286 G287	E279-Q283 WeakPolarHBondContact O-CG 3.19Å; E279-Q283 PolarHBondContact O-N 3.21Å; E280-Q283 WeakPolarHBondContact O-CB 3.42Å; E280-Q283 PolarHBondContact O-N 3.28Å; Q283-K285 PolarHBondContact O-N 3.45Å; Q283-V286 WeakPolarHBondContact O-CA 3.22Å; Q283-V286 WeakPolarHBondContact O-CB 3.32Å; Q283-V286 PolarHBondContact O-N 3.36Å; Q283-G287 PolarHBondContact O-N 2.83Å
284	M	95.2	Very high	94.7	Very high	89 Å²	89	54.7 Å²	54.7	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-52.2	-40.6	174.5	-66.2	167.3	79.1	0	0	111.5	E280 G287 A288 L592	E280-M284 VanDerWaalsContact O-CG 3.29Å; E280-M284 WeakPolarHBondContact O-CG 3.27Å; E280-M284 PolarHBondContact O-N 3.07Å; M284-G287 PolarHBondContact O-N 2.66Å; M284-A288 VanDerWaalsContact O-CB 3.26Å; M284-A288 WeakPolarHBondContact O-CB 3.39Å; M284-A288 PolarHBondContact O-N 2.8Å; M284-L592 HydrophobicContact CB-CD2 3.72Å
285	K	94.6	Very high	94.4	Very high	63 Å²	63	58.3 Å²	58.3	27%	0.274	30%	0.3	S	S	.	.	H	α-helix	trans	-72.3	-26.9	177.6	-179.7	177.6	162.1	-127	0	114	L281 Q283 R289 L297 L592	L281-K285 WeakPolarHBondContact O-CB 3.45Å; L281-K285 PolarHBondContact O-N 3.2Å; Q283-K285 PolarHBondContact O-N 3.45Å; K285-R289 VanDerWaalsContact O-CG 3.31Å; K285-R289 WeakPolarHBondContact O-CG 3.36Å; K285-R289 PolarHBondContact O-N 2.97Å; K285-L297 HydrophobicContact CD-CD1 4.33Å; K285-L297 HydrophobicContact CG-CD1 4.35Å; K285-L297 VanDerWaalsContact NZ-CD1 3.29Å; K285-L592 HydrophobicContact CB-CD1 3.92Å; K285-L592 HydrophobicContact CB-CD2 4.12Å; K285-L592 HydrophobicContact CG-CD1 4.08Å
286	V	95	Very high	94	Very high	44 Å²	44	63.1 Å²	63.1	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-51.2	170.3	168.5	0	0	0	0	109.1	Q282 Q283 A288 R289 E290 L297	Q282-V286 WeakPolarHBondContact O-CG2 3.49Å; Q282-V286 PolarHBondContact O-N 3.23Å; Q282-V286 VanDerWaalsContact O-N 3.11Å; Q283-V286 WeakPolarHBondContact O-CA 3.22Å; Q283-V286 WeakPolarHBondContact O-CB 3.32Å; Q283-V286 PolarHBondContact O-N 3.36Å; V286-A288 VanDerWaalsContact C-N 3.33Å; V286-A288 PolarHBondContact O-N 2.78Å; V286-R289 WeakPolarHBondContact O-CA 3.2Å; V286-R289 WeakPolarHBondContact O-CB 3.32Å; V286-R289 PolarHBondContact O-N 2.74Å; V286-E290 WeakPolarHBondContact CG1-OE1 3.41Å; V286-E290 PolarHBondContact O-N 3.26Å; V286-L297 HydrophobicContact CG2-CD1 4.3Å
287	G	95.4	Very high	93.4	Very high	18 Å²	18	64.4 Å²	64.4	19%	0.186	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-40.1	176.3	0	0	0	0	0	113.4	Q283 M284 R289 E290 R291	Q283-G287 PolarHBondContact O-N 2.83Å; M284-G287 PolarHBondContact O-N 2.66Å; G287-R289 VanDerWaalsContact C-N 3.26Å; G287-R289 PolarHBondContact O-N 3.43Å; G287-E290 PolarHBondContact O-N 3.21Å; G287-R291 WeakPolarHBondContact O-CG 3.45Å; G287-R291 PolarHBondContact O-N 2.97Å
288	A	94.3	Very high	92.7	Very high	12 Å²	12	67.7 Å²	67.7	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-27.6	174	0	0	0	0	0	113.4	M284 V286 L292 L592	M284-A288 VanDerWaalsContact O-CB 3.26Å; M284-A288 WeakPolarHBondContact O-CB 3.39Å; M284-A288 PolarHBondContact O-N 2.8Å; V286-A288 VanDerWaalsContact C-N 3.33Å; V286-A288 PolarHBondContact O-N 2.78Å; A288-L292 WeakPolarHBondContact O-CB 3.47Å; A288-L292 WeakPolarHBondContact O-CD1 3.46Å; A288-L292 VanDerWaalsContact O-CG 3.25Å; A288-L292 WeakPolarHBondContact O-CG 3.28Å; A288-L292 PolarHBondContact O-N 2.89Å; A288-L592 HydrophobicContact CB-CD1 4.18Å
289	R	95.1	Very high	92.3	Very high	7 Å²	7	68.5 Å²	68.5	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-76.2	-39.6	172.4	-73.9	177.1	73.6	76.6	-1.6	111.7	K285 V286 G287 L292 S293 L294 P295 V477 V479	K285-R289 VanDerWaalsContact O-CG 3.31Å; K285-R289 WeakPolarHBondContact O-CG 3.36Å; K285-R289 PolarHBondContact O-N 2.97Å; V286-R289 WeakPolarHBondContact O-CA 3.2Å; V286-R289 WeakPolarHBondContact O-CB 3.32Å; V286-R289 PolarHBondContact O-N 2.74Å; G287-R289 VanDerWaalsContact C-N 3.26Å; G287-R289 PolarHBondContact O-N 3.43Å; R289-L292 CarbonylContact O-C 3.58Å; R289-L292 PolarHBondContact O-N 3.41Å; R289-S293 PolarHBondContact O-N 2.7Å; R289-S293 VanDerWaalsContact O-N 3.14Å; R289-L294 HydrophobicContact CB-CB 3.97Å; R289-L294 HydrophobicContact CG-CB 4.27Å; R289-L294 HydrophobicContact CG-CD1 4.27Å; R289-L294 PolarHBondContact O-N 2.92Å; R289-P295 PolarHBondContact NE-O 2.68Å; R289-P295 PolarHBondContact NH2-O 2.91Å; R289-V477 PolarHBondContact NH1-O 3.15Å; R289-V477 PolarHBondContact NH2-O 2.93Å; R289-V479 HydrophobicContact CG-CG2 3.89Å
290	E	95.7	Very high	92	Very high	130 Å²	130	65 Å²	65	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-46.8	176.3	-68.8	164.7	177.4	0	0	110.9	V286 G287 L292 S293	V286-E290 WeakPolarHBondContact CG1-OE1 3.41Å; V286-E290 PolarHBondContact O-N 3.26Å; G287-E290 PolarHBondContact O-N 3.21Å; E290-L292 PolarHBondContact O-N 2.96Å; E290-S293 PolarHBondContact O-N 3.05Å
291	R	94.3	Very high	91.5	Very high	178 Å²	178	63.9 Å²	63.9	67%	0.672	35%	0.346	S	S	*	.	H	α-helix	trans	-56.5	-34	172.8	-69	-161.4	-65.3	-100.9	22.9	113.2	G287 S293	G287-R291 WeakPolarHBondContact O-CG 3.45Å; G287-R291 PolarHBondContact O-N 2.97Å; R291-S293 VanDerWaalsContact C-N 3.34Å
292	L	94.5	Very high	91	Very high	71 Å²	71	64.5 Å²	64.5	37%	0.372	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	13	177.9	-64	175.3	0	0	0	113.7	A288 R289 E290 L294 V479 I482	A288-L292 WeakPolarHBondContact O-CB 3.47Å; A288-L292 WeakPolarHBondContact O-CD1 3.46Å; A288-L292 VanDerWaalsContact O-CG 3.25Å; A288-L292 WeakPolarHBondContact O-CG 3.28Å; A288-L292 PolarHBondContact O-N 2.89Å; R289-L292 CarbonylContact O-C 3.58Å; R289-L292 PolarHBondContact O-N 3.41Å; E290-L292 PolarHBondContact O-N 2.96Å; L292-L294 HydrophobicContact CB-CD1 4.47Å; L292-L294 HydrophobicContact CB-CG 4.26Å; L292-L294 PolarHBondContact O-N 2.98Å; L292-V479 HydrophobicContact CD1-CB 4.5Å; L292-V479 HydrophobicContact CD1-CG1 3.94Å; L292-V479 HydrophobicContact CD1-CG2 4.35Å; L292-I482 HydrophobicContact CB-CD1 4Å; L292-I482 HydrophobicContact CD1-CD1 4.13Å; L292-I482 HydrophobicContact CD1-CG2 4.32Å; L292-I482 HydrophobicContact CD2-CG2 4.23Å
293	S	95.4	Very high	90.5	Very high	114 Å²	114	68.3 Å²	68.3	80%	0.797	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	28.7	-177.7	-60.9	0	0	0	0	114.5	R289 E290 R291	R289-S293 PolarHBondContact O-N 2.7Å; R289-S293 VanDerWaalsContact O-N 3.14Å; E290-S293 PolarHBondContact O-N 3.05Å; R291-S293 VanDerWaalsContact C-N 3.34Å
294	L	94	Very high	90	Very high	25 Å²	25	63.3 Å²	63.3	13%	0.131	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-87.3	143.6	179	-75.7	-177.8	0	0	0	111.5	R289 L292 V477 V479 I482	R289-L294 HydrophobicContact CB-CB 3.97Å; R289-L294 HydrophobicContact CG-CB 4.27Å; R289-L294 HydrophobicContact CG-CD1 4.27Å; R289-L294 PolarHBondContact O-N 2.92Å; L292-L294 HydrophobicContact CB-CD1 4.47Å; L292-L294 HydrophobicContact CB-CG 4.26Å; L292-L294 PolarHBondContact O-N 2.98Å; L294-V477 HydrophobicContact CD2-CB 3.82Å; L294-V477 HydrophobicContact CD2-CG1 3.92Å; L294-V479 HydrophobicContact CD1-CG2 4.49Å; L294-I482 HydrophobicContact CD1-CD1 3.66Å; L294-I482 HydrophobicContact CD2-CD1 3.93Å; L294-I482 HydrophobicContact CG-CD1 3.79Å
295	P	90.8	Very high	89.5	Confident	87 Å²	87	59.3 Å²	59.3	57%	0.565	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-54.1	149.5	174.6	-27.1	34.4	0	0	0	112.9	R289	R289-P295 PolarHBondContact NE-O 2.68Å; R289-P295 PolarHBondContact NH2-O 2.91Å
296	P	88.1	Confident	88.8	Confident	109 Å²	109	63 Å²	63	71%	0.708	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-58	158.3	177.8	24.5	-34.3	0	0	0	111.9
297	L	84.4	Confident	88	Confident	28 Å²	28	63.9 Å²	63.9	15%	0.147	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-71.3	129.2	176	-69	170.5	0	0	0	109.3	K285 V286 E299 Y476	K285-L297 HydrophobicContact CD-CD1 4.33Å; K285-L297 HydrophobicContact CG-CD1 4.35Å; K285-L297 VanDerWaalsContact NZ-CD1 3.29Å; V286-L297 HydrophobicContact CG2-CD1 4.3Å; L297-E299 PolarHBondContact O-N 2.94Å; L297-Y476 HydrophobicContact CD2-CE2 4.02Å
298	P	79.6	Confident	87.3	Confident	75 Å²	75	64.5 Å²	64.5	49%	0.487	35%	0.346	S	S	.	.	S	Bend	trans	-67.7	-24.3	-176.4	26	-35	0	0	0	113.2	A426	P298-A426 HydrophobicContact CB-CB 3.89Å; P298-A426 HydrophobicContact CG-CB 3.97Å
299	E	84.8	Confident	86.5	Confident	33 Å²	33	73.5 Å²	73.5	15%	0.154	38%	0.377	C	S	.	.			trans	-160.4	140.9	-176.2	61.5	-138.7	-176.2	0	0	112.3	L297 V304 W425 A426 R745	L297-E299 PolarHBondContact O-N 2.94Å; E299-V304 HydrophobicContact CB-CG2 4Å; E299-W425 HydrophobicContact CG-CE3 4.49Å; E299-W425 WeakPolarHBondContact OE1-CA 3.29Å; E299-W425 WeakPolarHBondContact OE2-CA 3.3Å; E299-A426 PolarHBondContact OE1-N 3.07Å; E299-A426 VanDerWaalsContact OE1-N 3.13Å; E299-A426 PolarHBondContact OE2-N 3.12Å; E299-R745 IonicContact OE1-CZ 3.34Å; E299-R745 IonicContact OE1-NE 3.52Å; E299-R745 PolarHBondContact OE1-NE 2.77Å; E299-R745 IonicContact OE1-NH2 2.67Å; E299-R745 PolarHBondContact OE1-NH2 3.09Å
300	D	85.1	Confident	85.7	Confident	39 Å²	39	74 Å²	74	21%	0.209	38%	0.383	C	S	.	.			trans	-80.2	119.9	165.5	-179.3	-8.4	0	0	0	109.6	I302 K303 V304	D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 2.88Å; D300-I302 PolarHBondContact OD1-N 2.94Å; D300-K303 HydrophobicContact CB-CB 4.14Å; D300-K303 HydrophobicContact CB-CD 4.32Å; D300-K303 HydrophobicContact CB-CG 4.26Å; D300-K303 WeakPolarHBondContact OD2-CD 3.44Å; D300-K303 WeakPolarHBondContact OD2-CE 3.46Å; D300-K303 WeakPolarHBondContact OD2-CG 3.15Å; D300-V304 WeakPolarHBondContact O-CB 3.43Å; D300-V304 VanDerWaalsContact O-CG2 3.31Å; D300-V304 WeakPolarHBondContact O-CG2 3.45Å; D300-V304 PolarHBondContact O-N 3.11Å
301	S	83.1	Confident	84.5	Confident	41 Å²	41	68.5 Å²	68.5	29%	0.287	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12	-177.6	-57.6	0	0	0	0	114.5	V305	S301-V305 WeakPolarHBondContact O-CG2 3.41Å
302	I	83.4	Confident	83.1	Confident	28 Å²	28	64.5 Å²	64.5	14%	0.144	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-52.6	171.9	-61.3	178.6	0	0	0	109	F278 D300 V304 V305 R306 M709	F278-I302 HydrophobicContact CB-CD1 3.95Å; F278-I302 HydrophobicContact CD2-CD1 4.06Å; F278-I302 HydrophobicContact CG-CD1 4.22Å; D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 2.88Å; D300-I302 PolarHBondContact OD1-N 2.94Å; I302-V304 PolarHBondContact O-N 2.72Å; I302-V305 PolarHBondContact O-N 2.88Å; I302-V305 VanDerWaalsContact O-N 3.08Å; I302-R306 PolarHBondContact O-N 2.82Å; I302-M709 HydrophobicContact CG2-CE 4.25Å
303	K	84.1	Confident	81.2	Confident	121 Å²	121	63.2 Å²	63.2	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-58.3	-44.6	178.8	-63.4	179.9	-171.3	-168.5	0	112	E279 D300 V305 R306 A307	E279-K303 IonicContact OE1-NZ 2.68Å; E279-K303 PolarHBondContact OE1-NZ 2.81Å; D300-K303 HydrophobicContact CB-CB 4.14Å; D300-K303 HydrophobicContact CB-CD 4.32Å; D300-K303 HydrophobicContact CB-CG 4.26Å; D300-K303 WeakPolarHBondContact OD2-CD 3.44Å; D300-K303 WeakPolarHBondContact OD2-CE 3.46Å; D300-K303 WeakPolarHBondContact OD2-CG 3.15Å; K303-V305 VanDerWaalsContact C-N 3.31Å; K303-V305 PolarHBondContact O-N 3.01Å; K303-R306 PolarHBondContact O-N 3.43Å; K303-A307 PolarHBondContact O-N 2.92Å
304	V	84	Confident	79.1	Confident	18 Å²	18	58.5 Å²	58.5	11%	0.109	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-38.2	174.9	165.1	0	0	0	0	112.9	E299 D300 I302 A307 M308 P424 W425	E299-V304 HydrophobicContact CB-CG2 4Å; D300-V304 WeakPolarHBondContact O-CB 3.43Å; D300-V304 VanDerWaalsContact O-CG2 3.31Å; D300-V304 WeakPolarHBondContact O-CG2 3.45Å; D300-V304 PolarHBondContact O-N 3.11Å; I302-V304 PolarHBondContact O-N 2.72Å; V304-A307 PolarHBondContact O-N 3.11Å; V304-M308 HydrophobicContact CG1-CE 3.56Å; V304-M308 WeakPolarHBondContact O-CG 3.36Å; V304-P424 HydrophobicContact CG1-CB 3.97Å; V304-P424 HydrophobicContact CG1-CG 3.92Å; V304-P424 WeakPolarHBondContact CG1-O 3.5Å; V304-W425 HydrophobicContact CB-CZ3 4.16Å; V304-W425 HydrophobicContact CG1-CE3 3.96Å; V304-W425 HydrophobicContact CG1-CH2 3.91Å; V304-W425 HydrophobicContact CG1-CZ2 4.47Å; V304-W425 HydrophobicContact CG1-CZ3 3.61Å
305	V	83.9	Confident	76.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-80	-30.5	-176.6	178.9	0	0	0	0	112.1	S301 I302 K303 A307 M308 W425 A708 M709 L712	S301-V305 WeakPolarHBondContact O-CG2 3.41Å; I302-V305 PolarHBondContact O-N 2.88Å; I302-V305 VanDerWaalsContact O-N 3.08Å; K303-V305 VanDerWaalsContact C-N 3.31Å; K303-V305 PolarHBondContact O-N 3.01Å; V305-A307 PolarHBondContact O-N 3.04Å; V305-M308 HydrophobicContact CG2-CE 4.25Å; V305-M308 WeakPolarHBondContact O-CB 3.45Å; V305-M308 PolarHBondContact O-N 2.91Å; V305-W425 HydrophobicContact CG2-CH2 3.62Å; V305-W425 HydrophobicContact CG2-CZ2 4.17Å; V305-A708 HydrophobicContact CG1-CB 4.42Å; V305-M709 HydrophobicContact CB-CE 3.83Å; V305-M709 HydrophobicContact CB-SD 4Å; V305-M709 HydrophobicContact CG1-CB 4.05Å; V305-M709 HydrophobicContact CG1-CE 3.73Å; V305-M709 HydrophobicContact CG1-CG 4.45Å; V305-M709 HydrophobicContact CG1-SD 3.6Å; V305-M709 HydrophobicContact CG2-SD 4.45Å; V305-L712 HydrophobicContact CB-CD2 4.45Å; V305-L712 HydrophobicContact CG1-CD2 4.21Å; V305-L712 HydrophobicContact CG2-CD2 3.33Å
306	R	79.7	Confident	74.6	Confident	142 Å²	142	55.6 Å²	55.6	54%	0.536	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-32.3	169.8	-168.9	179.7	-74.5	-151.2	-7.1	111.6	E48 Y49 I302 K303	E48-R306 IonicContact OE1-CZ 2.75Å; E48-R306 IonicContact OE1-NH1 2.78Å; E48-R306 PolarHBondContact OE1-NH1 2.89Å; E48-R306 IonicContact OE1-NH2 3.45Å; E48-R306 PolarHBondContact OE1-NH2 3.06Å; E48-R306 IonicContact OE2-NH1 3.71Å; Y49-R306 PolarHBondContact O-NH2 2.92Å; I302-R306 PolarHBondContact O-N 2.82Å; K303-R306 PolarHBondContact O-N 3.43Å
307	A	78	Confident	72.6	Confident	61 Å²	61	53.8 Å²	53.8	50%	0.504	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.9	174.2	0	0	0	0	0	115	K303 V304 V305 F419	K303-A307 PolarHBondContact O-N 2.92Å; V304-A307 PolarHBondContact O-N 3.11Å; V305-A307 PolarHBondContact O-N 3.04Å; A307-F419 HydrophobicContact CB-CE2 3.99Å; A307-F419 HydrophobicContact CB-CZ 4.13Å
308	M	81.6	Confident	70.8	Confident	31 Å²	31	59.6 Å²	59.6	15%	0.153	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-87.4	136.3	179.9	-68.7	-164.9	-162	0	0	112.9	V304 V305 P424 W425 A708	V304-M308 HydrophobicContact CG1-CE 3.56Å; V304-M308 WeakPolarHBondContact O-CG 3.36Å; V305-M308 HydrophobicContact CG2-CE 4.25Å; V305-M308 WeakPolarHBondContact O-CB 3.45Å; V305-M308 PolarHBondContact O-N 2.91Å; M308-P424 HydrophobicContact CE-CG 3.4Å; M308-P424 VanDerWaalsContact CE-CG 3.4Å; M308-W425 HydrophobicContact CE-CD2 4.35Å; M308-W425 HydrophobicContact CE-CH2 3.76Å; M308-W425 HydrophobicContact CE-CZ2 3.18Å; M308-W425 HydrophobicContact SD-CZ2 4.4Å; M308-A708 HydrophobicContact CB-CB 4.13Å; M308-A708 VanDerWaalsContact O-CB 3.22Å; M308-A708 WeakPolarHBondContact O-CB 3.35Å
309	R	77.3	Confident	69.3	Low	201 Å²	201	58.9 Å²	58.9	76%	0.758	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-72	145	161.2	-65.2	-175.3	-179.4	-177.7	-0.5	111.1	K743	R309-K743 PolarHBondContact O-NZ 3.15Å
310	A	77.6	Confident	67.9	Low	18 Å²	18	61.5 Å²	61.5	15%	0.149	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-56.4	155.3	166.4	0	0	0	0	0	111.3	K706	A310-K706 HydrophobicContact CB-CB 4.16Å
311	A	70.3	Confident	66.8	Low	15 Å²	15	64.3 Å²	64.3	12%	0.124	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-87.5	145.7	168.3	0	0	0	0	0	110.1	Q711	A311-Q711 PolarHBondContact O-NE2 3.18Å; A311-Q711 PolarHBondContact O-OE1 3.15Å
312	S	65.8	Low	65.6	Low	94 Å²	94	67.4 Å²	67.4	66%	0.657	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-62.9	134.6	172.3	-50.2	0	0	0	0	110.2
313	P	54.3	Low	64.1	Low	43 Å²	43	70.7 Å²	70.7	28%	0.279	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.4	148.2	-177.8	-27.1	35.4	0	0	0	113.4	A315 K704 K706	P313-A315 PolarHBondContact O-N 3.25Å; P313-K704 HydrophobicContact CB-CG 4.46Å; P313-K706 HydrophobicContact CG-CG 4.36Å
314	P	51.6	Low	62.8	Low	15 Å²	15	70.3 Å²	70.3	10%	0.097	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65.5	123	165.2	-13.3	27.7	0	0	0	109.3	S316 L703 K735	P314-S316 PolarHBondContact O-N 2.77Å; P314-L703 HydrophobicContact CG-CD1 3.9Å; P314-K735 HydrophobicContact CB-CB 4.32Å
315	A	44.9	Very low	61.6	Low	20 Å²	20	75 Å²	75	17%	0.165	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-49.8	136.1	174.3	0	0	0	0	0	111.4	P313 E319 L320	P313-A315 PolarHBondContact O-N 3.25Å; A315-E319 HydrophobicContact CB-CB 4.46Å; A315-L320 HydrophobicContact CB-CG 4.45Å
316	S	44.6	Very low	60.1	Low	31 Å²	31	80.6 Å²	80.6	22%	0.217	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-76.2	164	-178.4	68.2	0	0	0	0	112.3	P314 M318 E319 L320	P314-S316 PolarHBondContact O-N 2.77Å; S316-M318 PolarHBondContact O-N 3.09Å; S316-E319 WeakPolarHBondContact CA-OE2 3.47Å; S316-E319 WeakPolarHBondContact CB-OE2 3.41Å; S316-E319 PolarHBondContact N-OE2 2.92Å; S316-E319 PolarHBondContact O-N 3.19Å; S316-E319 PolarHBondContact OG-N 3.39Å; S316-E319 PolarHBondContact OG-OE2 3.24Å; S316-L320 WeakPolarHBondContact O-CG 3.38Å; S316-L320 PolarHBondContact O-N 3.27Å
317	A	45.5	Very low	58.7	Low	72 Å²	72	80.9 Å²	80.9	60%	0.595	43%	0.427	S	S	*	.	H	α-helix	trans	-60.1	-34.3	177.7	0	0	0	0	0	112.4	L320 I321	A317-L320 PolarHBondContact O-N 3.47Å; A317-I321 WeakPolarHBondContact O-CB 3.3Å; A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 WeakPolarHBondContact O-CG1 3.48Å; A317-I321 PolarHBondContact O-N 3.03Å
318	M	46.8	Very low	57.1	Low	149 Å²	149	84.6 Å²	84.6	73%	0.734	43%	0.431	S	S	*	.	H	α-helix	trans	-65	-50.1	173.7	-78.4	178.2	60.9	0	0	112	S316 L320 I321 E322	S316-M318 PolarHBondContact O-N 3.09Å; M318-L320 PolarHBondContact O-N 3.41Å; M318-I321 PolarHBondContact O-N 3.3Å; M318-I321 VanDerWaalsContact O-N 3.09Å; M318-E322 WeakPolarHBondContact O-CB 3.35Å; M318-E322 PolarHBondContact O-N 2.88Å
319	E	49	Very low	55.4	Low	60 Å²	60	92.6 Å²	92.6	28%	0.28	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-34.5	177.2	-70.7	157.2	125.6	0	0	111.8	A315 S316 Q323	A315-E319 HydrophobicContact CB-CB 4.46Å; S316-E319 WeakPolarHBondContact CA-OE2 3.47Å; S316-E319 WeakPolarHBondContact CB-OE2 3.41Å; S316-E319 PolarHBondContact N-OE2 2.92Å; S316-E319 PolarHBondContact O-N 3.19Å; S316-E319 PolarHBondContact OG-N 3.39Å; S316-E319 PolarHBondContact OG-OE2 3.24Å; E319-Q323 VanDerWaalsContact O-CB 3.31Å; E319-Q323 WeakPolarHBondContact O-CB 3.47Å; E319-Q323 VanDerWaalsContact O-CG 3.28Å; E319-Q323 WeakPolarHBondContact O-CG 3.37Å; E319-Q323 PolarHBondContact O-N 3.1Å
320	L	55.5	Low	53.7	Low	89 Å²	89	85.1 Å²	85.1	47%	0.466	45%	0.445	S	S	.	.	H	α-helix	trans	-69.9	-39.5	174.4	-70.6	168.2	0	0	0	112.6	A315 S316 A317 M318 Q324	A315-L320 HydrophobicContact CB-CG 4.45Å; S316-L320 WeakPolarHBondContact O-CG 3.38Å; S316-L320 PolarHBondContact O-N 3.27Å; A317-L320 PolarHBondContact O-N 3.47Å; M318-L320 PolarHBondContact O-N 3.41Å; L320-Q324 VanDerWaalsContact O-CB 3.28Å; L320-Q324 WeakPolarHBondContact O-CB 3.38Å; L320-Q324 PolarHBondContact O-N 3.02Å
321	I	62.6	Low	52	Low	97 Å²	97	94.7 Å²	94.7	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-42.1	173.8	-71	162.2	0	0	0	110.2	A317 M318 Q324 Q325	A317-I321 WeakPolarHBondContact O-CB 3.3Å; A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 WeakPolarHBondContact O-CG1 3.48Å; A317-I321 PolarHBondContact O-N 3.03Å; M318-I321 PolarHBondContact O-N 3.3Å; M318-I321 VanDerWaalsContact O-N 3.09Å; I321-Q324 CarbonylContact O-C 3.49Å; I321-Q324 PolarHBondContact O-N 3.05Å; I321-Q325 WeakPolarHBondContact O-CG 3.45Å; I321-Q325 PolarHBondContact O-N 3.01Å
322	E	57.6	Low	50.5	Low	107 Å²	107	104.4 Å²	104.4	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-45	-179.7	-168.4	164.3	-145.8	0	0	111.6	M318 Q324 Q325 Q326	M318-E322 WeakPolarHBondContact O-CB 3.35Å; M318-E322 PolarHBondContact O-N 2.88Å; E322-Q324 VanDerWaalsContact C-N 3.3Å; E322-Q324 PolarHBondContact O-N 3Å; E322-Q325 PolarHBondContact O-N 3.24Å; E322-Q326 WeakPolarHBondContact O-CB 3.23Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.27Å; E322-Q326 PolarHBondContact O-N 3.46Å
323	Q	52.1	Low	49.2	Very low	97 Å²	97	104.1 Å²	104.1	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-58.9	-40	169.6	-77.3	-178.3	-8.5	0	0	112	E319 Q326 Q327	E319-Q323 VanDerWaalsContact O-CB 3.31Å; E319-Q323 WeakPolarHBondContact O-CB 3.47Å; E319-Q323 VanDerWaalsContact O-CG 3.28Å; E319-Q323 WeakPolarHBondContact O-CG 3.37Å; E319-Q323 PolarHBondContact O-N 3.1Å; Q323-Q326 PolarHBondContact O-N 3.08Å; Q323-Q327 WeakPolarHBondContact O-CB 3.44Å; Q323-Q327 WeakPolarHBondContact O-CG 3.38Å; Q323-Q327 PolarHBondContact O-N 3.47Å
324	Q	56.2	Low	48.5	Very low	112 Å²	112	113.2 Å²	113.2	52%	0.523	54%	0.537	S	S	.	.	H	α-helix	trans	-70.7	-32.8	177.9	-161.7	-175.6	92.1	0	0	112.4	L320 I321 E322 K328	L320-Q324 VanDerWaalsContact O-CB 3.28Å; L320-Q324 WeakPolarHBondContact O-CB 3.38Å; L320-Q324 PolarHBondContact O-N 3.02Å; I321-Q324 CarbonylContact O-C 3.49Å; I321-Q324 PolarHBondContact O-N 3.05Å; E322-Q324 VanDerWaalsContact C-N 3.3Å; E322-Q324 PolarHBondContact O-N 3Å; Q324-K328 WeakPolarHBondContact O-CB 3.42Å; Q324-K328 WeakPolarHBondContact O-CG 3.35Å; Q324-K328 PolarHBondContact O-N 3.39Å
325	Q	57.8	Low	47.7	Very low	117 Å²	117	123.9 Å²	123.9	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-70.8	-40.3	171.7	-74.1	-171.9	22	0	0	112	I321 E322 K328 R329	I321-Q325 WeakPolarHBondContact O-CG 3.45Å; I321-Q325 PolarHBondContact O-N 3.01Å; E322-Q325 PolarHBondContact O-N 3.24Å; Q325-K328 PolarHBondContact O-N 2.94Å; Q325-R329 PolarHBondContact O-N 3.2Å
326	Q	52.2	Low	47.3	Very low	122 Å²	122	127.8 Å²	127.8	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-43.7	174.2	-73	172.3	-2.9	0	0	111.3	E322 Q323 K328 R329 G330	E322-Q326 WeakPolarHBondContact O-CB 3.23Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.27Å; E322-Q326 PolarHBondContact O-N 3.46Å; Q323-Q326 PolarHBondContact O-N 3.08Å; Q326-K328 PolarHBondContact O-N 2.86Å; Q326-R329 PolarHBondContact O-N 2.94Å; Q326-G330 PolarHBondContact O-N 3.45Å
327	Q	50.8	Low	46.9	Very low	148 Å²	148	130.3 Å²	130.3	69%	0.692	63%	0.625	S	S	*	*	H	α-helix	trans	-61.3	-40.6	172.6	-76	-176.8	-4.8	0	0	112.6	Q323 G330 R331	Q323-Q327 WeakPolarHBondContact O-CB 3.44Å; Q323-Q327 WeakPolarHBondContact O-CG 3.38Å; Q323-Q327 PolarHBondContact O-N 3.47Å; Q327-G330 PolarHBondContact O-N 3.11Å; Q327-R331 PolarHBondContact O-N 3.46Å; Q327-R331 VanDerWaalsContact O-N 3.16Å
328	K	44.8	Very low	46.5	Very low	138 Å²	138	136.4 Å²	136.4	60%	0.6	64%	0.638	S	S	*	*	H	α-helix	trans	-66.1	-37.2	175.1	-77.9	174.6	177.7	171.6	0	112.7	Q324 Q325 Q326 R332	Q324-K328 WeakPolarHBondContact O-CB 3.42Å; Q324-K328 WeakPolarHBondContact O-CG 3.35Å; Q324-K328 PolarHBondContact O-N 3.39Å; Q325-K328 PolarHBondContact O-N 2.94Å; Q326-K328 PolarHBondContact O-N 2.86Å; K328-R332 PolarHBondContact O-N 3.45Å
329	R	45.2	Very low	46.1	Very low	200 Å²	200	135.8 Å²	135.8	76%	0.755	64%	0.642	S	S	*	*	H	α-helix	trans	-66.7	-44.9	173.6	-77.9	-176.6	170.4	-175.9	-1.7	112	Q325 Q326 R331 R332 S333	Q325-R329 PolarHBondContact O-N 3.2Å; Q326-R329 PolarHBondContact O-N 2.94Å; R329-R331 VanDerWaalsContact C-N 3.28Å; R329-R331 PolarHBondContact O-N 2.98Å; R329-R332 PolarHBondContact O-N 3.26Å; R329-S333 PolarHBondContact O-N 3.12Å
330	G	43.3	Very low	45.4	Very low	43 Å²	43	140.3 Å²	140.3	44%	0.443	67%	0.669	S	S	.	*	H	α-helix	trans	-59	-35.5	176.9	0	0	0	0	0	113.8	Q326 Q327	Q326-G330 PolarHBondContact O-N 3.45Å; Q327-G330 PolarHBondContact O-N 3.11Å
331	R	41.5	Very low	44.6	Very low	219 Å²	219	141.6 Å²	141.6	83%	0.826	69%	0.685	S	S	*	*	H	α-helix	trans	-75.7	-23.1	179.1	-128.8	177.2	-174.6	-174.6	0.7	114.5	Q327 R329	Q327-R331 PolarHBondContact O-N 3.46Å; Q327-R331 VanDerWaalsContact O-N 3.16Å; R329-R331 VanDerWaalsContact C-N 3.28Å; R329-R331 PolarHBondContact O-N 2.98Å
332	R	38.1	Very low	43.4	Very low	220 Å²	220	144.6 Å²	144.6	83%	0.83	70%	0.701	S	S	*	*	H	α-helix	trans	-82.5	-32.6	174.4	-106.1	-178.1	175.5	174.5	-1.5	113	K328 R329	K328-R332 PolarHBondContact O-N 3.45Å; R329-R332 PolarHBondContact O-N 3.26Å
333	S	37.9	Very low	42.2	Very low	87 Å²	87	148.4 Å²	148.4	61%	0.608	72%	0.719	S	S	*	*	H	α-helix	trans	-66.3	-38.6	179.1	177.2	0	0	0	0	113.1	R329 R335	R329-S333 PolarHBondContact O-N 3.12Å; S333-R335 VanDerWaalsContact C-N 3.28Å; S333-R335 PolarHBondContact O-N 2.69Å
334	R	39.4	Very low	41.1	Very low	234 Å²	234	147.3 Å²	147.3	88%	0.883	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-3.5	-178.7	-94.1	-174.8	175	178.1	-1.2	116.4
335	R	36	Very low	39.8	Very low	240 Å²	240	150 Å²	150	91%	0.906	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	5.7	-179.9	-127.7	179.1	-171.4	-178.2	1.6	114.5	S333	S333-R335 VanDerWaalsContact C-N 3.28Å; S333-R335 PolarHBondContact O-N 2.69Å
336	S	35.4	Very low	38.5	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	76%	0.764	S	S	*	*	S	Bend	trans	-113.8	7.8	-179	-166.4	0	0	0	0	113.6
337	A	37.5	Very low	37.9	Very low	85 Å²	85	148.7 Å²	148.7	70%	0.702	77%	0.767	S	S	*	*	S	Bend	trans	-118.8	31.3	-172.3	0	0	0	0	0	112.9
338	F	36	Very low	36.9	Very low	199 Å²	199	151 Å²	151	87%	0.873	78%	0.775	S	S	*	*	S	Bend	trans	-142.6	6.9	178.6	-138.3	-93.5	0	0	0	114.7
339	V	39.9	Very low	36.7	Very low	137 Å²	137	149.2 Å²	149.2	83%	0.83	78%	0.778	S	S	*	*	S	Bend	trans	-142.5	72.7	173.4	-169.2	0	0	0	0	108.1
340	D	33.3	Very low	36.2	Very low	155 Å²	155	149.2 Å²	149.2	83%	0.829	78%	0.783	S	S	*	*			trans	-162.5	77	160.3	-123	-7.3	0	0	0	109.1
341	S	38.9	Very low	35.5	Very low	116 Å²	116	157.2 Å²	157.2	81%	0.811	81%	0.806	S	S	*	*			trans	-159.4	61.8	175.3	-74.4	0	0	0	0	109.7
342	L	36.6	Very low	34.8	Very low	160 Å²	160	155.5 Å²	155.5	84%	0.838	81%	0.807	S	S	*	*			trans	-175.6	146.8	157.5	-99.2	152.1	0	0	0	109
343	E	32.8	Very low	35.3	Very low	187 Å²	187	150.1 Å²	150.1	87%	0.874	80%	0.8	S	S	*	*			trans	73.9	100.6	169.9	-56.9	-174.2	165.7	0	0	119.8
344	G	29.2	Very low	34.7	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	82%	0.815	S	S	*	*				82.1	97.4	91.4	0	0	0	0	0	121
345	D	29.9	Very low	34.4	Very low	167 Å²	167	149 Å²	149	89%	0.893	81%	0.808	S	S	*	*			trans	52.2	126.2	143	-73.4	-15.9	0	0	0	124.8
346	S	28.6	Very low	33.9	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	81%	0.809	S	S	*	*			trans	87.4	162.4	143.7	-126.2	0	0	0	0	119.4
347	P	40.5	Very low	33.5	Very low	97 Å²	97	150.4 Å²	150.4	63%	0.63	81%	0.811	S	S	*	*				-134.1	175.1	-86.6	40.8	-24.9	0	0	0	117.4
348	F	30.7	Very low	33	Very low	195 Å²	195	152.6 Å²	152.6	86%	0.855	81%	0.811	S	S	*	*			trans	82.7	155.6	160.4	-78.3	-59.9	0	0	0	119.8
349	P	40.2	Very low	32.5	Very low	102 Å²	102	149.2 Å²	149.2	66%	0.662	81%	0.812	S	S	*	*				-132.7	167.7	-114.9	45.4	-31.6	0	0	0	119.3
350	K	35	Very low	32.1	Very low	200 Å²	200	150.4 Å²	150.4	87%	0.87	81%	0.812	S	S	*	*			trans	33.5	131.2	146.1	-68.2	-178.2	177.1	179.2	0	120.9
351	K	27.9	Very low	31.9	Very low	211 Å²	211	150.5 Å²	150.5	92%	0.917	81%	0.813	S	S	*	*			trans	-159.1	133.3	134.3	-108.4	161.4	-170.4	178.5	0	113.4
352	Q	26.4	Very low	31.5	Very low	183 Å²	183	151 Å²	151	86%	0.855	81%	0.811	S	S	*	*			trans	-121.5	-176.6	157.4	-77.4	-171.9	-18.2	0	0	106.5
353	P	48.9	Very low	31	Very low	106 Å²	106	154.2 Å²	154.2	69%	0.688	81%	0.814	S	S	*	*				-119.8	-175.8	-63.9	37.1	-23.1	0	0	0	109.3
354	L	26.1	Very low	30.7	Very low	177 Å²	177	153.2 Å²	153.2	93%	0.927	82%	0.815	S	S	*	*			trans	-148.8	134.4	159.1	-115.7	126.3	0	0	0	114
355	V	32.1	Very low	30.8	Very low	121 Å²	121	158.2 Å²	158.2	73%	0.733	82%	0.818	S	S	*	*			trans	-77.3	146.3	177	175.7	0	0	0	0	109.7
356	K	26.5	Very low	30.7	Very low	213 Å²	213	162 Å²	162	93%	0.926	82%	0.82	S	S	*	*			trans	-142.2	151.9	146.1	-109.9	179.2	-174.7	-175.1	0	110.8
357	Q	26	Very low	31	Very low	157 Å²	157	162.2 Å²	162.2	73%	0.734	81%	0.812	S	S	*	*			trans	-118.2	150.2	-156	-179.6	176	-0.1	0	0	110.4
358	D	28.5	Very low	30.7	Very low	132 Å²	132	163.1 Å²	163.1	71%	0.706	82%	0.818	S	S	*	*			trans	21.4	130.9	161.6	-51.9	-35.9	0	0	0	120.6
359	S	25.1	Very low	30.8	Very low	128 Å²	128	162.2 Å²	162.2	90%	0.895	81%	0.814	S	S	*	*				-152.8	142.7	126.1	-81.4	0	0	0	0	111.9
360	L	31.6	Very low	30.4	Very low	161 Å²	161	166.8 Å²	166.8	84%	0.843	82%	0.823	S	S	*	*			trans	-78.5	134.7	178.5	-173.9	82	0	0	0	109.9
361	D	28.3	Very low	30.2	Very low	157 Å²	157	164.1 Å²	164.1	84%	0.84	82%	0.819	S	S	*	*			trans	-173.2	130.1	142.9	-100	-28.2	0	0	0	110.6
362	T	29.8	Very low	30.2	Very low	126 Å²	126	162.2 Å²	162.2	77%	0.773	82%	0.819	S	S	*	*			trans	-150.7	81.2	178.5	-56	0	0	0	0	110.7
363	Y	27.2	Very low	30.4	Very low	228 Å²	228	160.9 Å²	160.9	89%	0.894	82%	0.817	S	S	*	*			trans	-153.1	100.7	155.8	-95.9	-77.8	0	0	0	109.5
364	N	26.4	Very low	29.4	Very low	167 Å²	167	160.5 Å²	160.5	89%	0.893	82%	0.823	S	S	*	*			trans	-162.4	143.9	134	-113.7	-28.1	0	0	0	112
365	E	31.3	Very low	29.6	Very low	179 Å²	179	162.6 Å²	162.6	84%	0.836	82%	0.818	S	S	*	*			trans	-73.6	149.7	-178.2	-58.3	172.5	128.1	0	0	111.5
366	R	27.8	Very low	29.5	Very low	245 Å²	245	162.9 Å²	162.9	93%	0.925	82%	0.816	S	S	*	*			trans	-152	123.3	145.6	-109	166.7	-150.5	-159.7	4.8	110.5
367	D	34.6	Very low	29.7	Very low	122 Å²	122	160.1 Å²	160.1	65%	0.652	81%	0.806	S	S	*	*			trans	-69.9	129.5	177.1	-173.8	-9.3	0	0	0	110.7	F369	D367-F369 VanDerWaalsContact C-N 3.27Å; D367-F369 PolarHBondContact O-N 3Å; D367-F369 PolarHBondContact OD1-N 2.71Å
368	P	34.6	Very low	29.8	Very low	116 Å²	116	160.3 Å²	160.3	75%	0.753	81%	0.807	S	S	*	*	S	Bend	trans	-74.8	-6.9	176	-15.5	31.3	0	0	0	115.1	K370	P368-K370 PolarHBondContact O-N 2.65Å
369	F	32.8	Very low	29.8	Very low	175 Å²	175	161.2 Å²	161.2	77%	0.768	81%	0.812	S	S	*	*			trans	-99	73.5	-175.8	-66.3	-77.7	0	0	0	113.2	D367	D367-F369 VanDerWaalsContact C-N 3.27Å; D367-F369 PolarHBondContact O-N 3Å; D367-F369 PolarHBondContact OD1-N 2.71Å
370	K	31.1	Very low	30.1	Very low	199 Å²	199	161.9 Å²	161.9	87%	0.865	81%	0.806	S	S	*	*			trans	-126.1	124.7	155.3	-85.2	-165.6	170.2	-169.4	0	110.7	P368	P368-K370 PolarHBondContact O-N 2.65Å
371	N	31.5	Very low	30.4	Very low	144 Å²	144	160 Å²	160	77%	0.77	80%	0.803	S	S	*	*			trans	-69.4	148.2	169.6	-63.7	-2.4	0	0	0	110.3
372	D	28.4	Very low	30.6	Very low	171 Å²	171	160.7 Å²	160.7	91%	0.914	80%	0.801	S	S	*	*			trans	-144.5	135.2	142.4	-104	-34.5	0	0	0	107.7
373	D	29.6	Very low	30.6	Very low	154 Å²	154	162 Å²	162	82%	0.824	80%	0.803	S	S	*	*			trans	-89.4	137.1	-174.3	-71.2	-60.9	0	0	0	112.5
374	A	29	Very low	30.7	Very low	98 Å²	98	157.2 Å²	157.2	81%	0.81	80%	0.798	S	S	*	*			trans	-163.1	88.8	157.3	0	0	0	0	0	113.4
375	R	29.9	Very low	30.9	Very low	221 Å²	221	156 Å²	156	83%	0.834	79%	0.792	S	S	*	*				35.5	143.1	127.8	-73.2	-171.5	-156.6	-177.1	6	123.6
376	D	30.6	Very low	30.8	Very low	127 Å²	127	153.2 Å²	153.2	68%	0.679	79%	0.792	S	S	*	*			trans	66.7	143	149.7	-47.4	-18.5	0	0	0	116.7
377	E	30.3	Very low	30.8	Very low	155 Å²	155	144.7 Å²	144.7	72%	0.724	78%	0.78	S	S	*	*			cis	-159.2	166.7	-1.7	-119.6	165.1	-175.3	0	0	108.8
378	E	28.4	Very low	30.6	Very low	162 Å²	162	146.8 Å²	146.8	76%	0.757	79%	0.79	S	S	*	*			trans	41	128	152	-60.9	178.3	163.7	0	0	120.2
379	D	28.5	Very low	30.5	Very low	151 Å²	151	150.6 Å²	150.6	81%	0.807	80%	0.798	S	S	*	*				-173.1	149.9	57	-108.9	-29.1	0	0	0	111.1
380	D	31.5	Very low	30.3	Very low	141 Å²	141	146 Å²	146	75%	0.754	80%	0.799	S	S	*	*			trans	-97.3	158.5	163	-125	-23.2	0	0	0	109.1
381	P	37.1	Very low	30.1	Very low	121 Å²	121	146.1 Å²	146.1	79%	0.786	80%	0.803	S	S	*	*				-141.7	147.7	114.5	34.4	-21.1	0	0	0	115.4
382	E	31.8	Very low	30.1	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	81%	0.808	S	S	*	*			trans	-71.9	-170.3	165.7	-63.6	-171	121.1	0	0	112.5
383	D	30.7	Very low	30	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	81%	0.805	S	S	*	*			trans	78.9	136.6	-178.2	-67	-27.7	0	0	0	116.5
384	T	29.5	Very low	30.6	Very low	128 Å²	128	142.9 Å²	142.9	79%	0.785	80%	0.796	S	S	*	*			cis	-149.6	159.3	6.6	-4.9	0	0	0	0	112.8
385	D	29.3	Very low	30.7	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	80%	0.795	S	S	*	*			trans	-64.2	147.9	167.6	179.3	27.9	0	0	0	112.8
386	S	29	Very low	30.7	Very low	119 Å²	119	143 Å²	143	83%	0.832	80%	0.798	S	S	*	*			trans	-171.8	82.8	164.2	-82.2	0	0	0	0	111.2
387	G	28	Very low	30.8	Very low	66 Å²	66	147.5 Å²	147.5	68%	0.68	81%	0.806	S	S	*	*			trans	-83	130.3	162.2	0	0	0	0	0	111.9
388	I	31.8	Very low	30.7	Very low	166 Å²	166	148 Å²	148	85%	0.851	81%	0.814	S	S	*	*			trans	-138	125.1	162	-67.2	-173.7	0	0	0	108.9
389	E	31.4	Very low	31	Very low	197 Å²	197	146.7 Å²	146.7	92%	0.921	82%	0.816	S	S	*	*			trans	-73.9	145.4	169.3	-62	178.6	129.9	0	0	110.6
390	G	28.6	Very low	31.3	Very low	78 Å²	78	147 Å²	147	80%	0.804	82%	0.816	S	S	*	*			trans	-148.3	116.4	179.7	0	0	0	0	0	111.3
391	E	27.5	Very low	31.3	Very low	201 Å²	201	147.8 Å²	147.8	94%	0.939	82%	0.819	S	S	*	*			trans	-48.9	154.8	-164.8	-62.7	177.4	126.8	0	0	118.5
392	V	31.6	Very low	31.1	Very low	145 Å²	145	150 Å²	150	88%	0.879	82%	0.818	S	S	*	*			trans	-85.9	136.8	158.3	-89.8	0	0	0	0	110.1
393	D	25.9	Very low	31.4	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	82%	0.816	S	S	*	*			trans	-137.9	143.5	154.2	-153.5	34	0	0	0	109.4
394	P	42.6	Very low	31.8	Very low	95 Å²	95	145.7 Å²	145.7	62%	0.617	81%	0.814	S	S	*	*			trans	-106.8	-178.2	-164.9	40	-31.9	0	0	0	113.9
395	L	30.8	Very low	32.3	Very low	154 Å²	154	145 Å²	145	81%	0.806	81%	0.812	S	S	*	*			trans	82.7	106.5	171.6	-51.6	170.5	0	0	0	115.3
396	D	30.2	Very low	32.8	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	81%	0.812	S	S	*	*				-146.3	141.9	104.5	-121.3	-22.5	0	0	0	111.6
397	R	32.2	Very low	33.3	Very low	222 Å²	222	143.9 Å²	143.9	84%	0.838	81%	0.81	S	S	*	*			trans	-105.6	132.6	174	-84.6	178.6	168.2	176.3	-3	107.8
398	D	29.3	Very low	34	Very low	166 Å²	166	146.1 Å²	146.1	89%	0.888	81%	0.812	S	S	*	*			trans	-167.4	111.2	131.9	-99.1	-22.2	0	0	0	110.7
399	V	33	Very low	34.4	Very low	133 Å²	133	144.3 Å²	144.3	81%	0.806	81%	0.811	S	S	*	*			trans	-118	111.1	174	178.5	0	0	0	0	108.3	I401	V399-I401 PolarHBondContact O-N 3.41Å
400	I	35.5	Very low	34.6	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	81%	0.812	S	S	*	*			trans	-66.1	113.9	174.5	-62.2	172.6	0	0	0	108.7	Q402	I400-Q402 PolarHBondContact O-N 2.97Å
401	I	32.1	Very low	34.9	Very low	158 Å²	158	150.8 Å²	150.8	81%	0.81	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.1	118.1	178	-59.3	168.5	0	0	0	109.3	V399	V399-I401 PolarHBondContact O-N 3.41Å
402	Q	33	Very low	35.3	Very low	166 Å²	166	146.6 Å²	146.6	78%	0.776	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-93.5	143.3	161.6	-69.6	-170.1	2.8	0	0	110.3	I400	I400-Q402 PolarHBondContact O-N 2.97Å
403	P	36.8	Very low	35.4	Very low	117 Å²	117	145.9 Å²	145.9	76%	0.76	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70	147.1	178	-14.4	29.1	0	0	0	112.1
404	P	39.8	Very low	35.9	Very low	118 Å²	118	143.9 Å²	143.9	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.7	149	173.4	30.8	-34.4	0	0	0	111.9
405	P	38.9	Very low	35.4	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.1	158.4	173.4	30.2	-34.9	0	0	0	112.1
406	P	41.3	Very low	35.7	Very low	118 Å²	118	151.4 Å²	151.4	77%	0.766	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69	152.3	-174.5	28.2	-35.6	0	0	0	113.3
407	P	40	Very low	36.2	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74	145.9	-177.2	30.3	-35.1	0	0	0	112.7
408	P	41.6	Very low	36.1	Very low	112 Å²	112	145 Å²	145	73%	0.727	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.7	158.3	172.3	30.6	-34.9	0	0	0	112
409	P	39.9	Very low	36.7	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.3	145.2	-173	24	-33.9	0	0	0	113.8	R411	P409-R411 PolarHBondContact O-N 3.18Å
410	L	36.6	Very low	37.3	Very low	179 Å²	179	140.5 Å²	140.5	94%	0.937	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.7	-175.2	-67	162.8	0	0	0	111.7
411	R	35.1	Very low	38	Very low	233 Å²	233	143.8 Å²	143.8	88%	0.879	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-79.7	150.4	159	-65.3	-174.4	-173.5	-175	0.8	109.2	P409	P409-R411 PolarHBondContact O-N 3.18Å
412	P	34.6	Very low	39.6	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.6	151.1	-179.7	24.3	-34.3	0	0	0	112.2	T414	P412-T414 PolarHBondContact O-N 3.27Å
413	P	35	Very low	41.9	Very low	129 Å²	129	133.8 Å²	133.8	84%	0.838	75%	0.746	S	S	*	*			trans	-74.9	102.1	-170.7	30	-34.5	0	0	0	111.5
414	T	35.1	Very low	44	Very low	120 Å²	120	129.7 Å²	129.7	74%	0.736	72%	0.719	S	S	*	*			trans	-65.3	133.9	155.4	-7.3	0	0	0	0	108.3	P412 R416	P412-T414 PolarHBondContact O-N 3.27Å; T414-R416 PolarHBondContact O-N 3.01Å
415	E	33.7	Very low	46.3	Very low	187 Å²	187	124.9 Å²	124.9	87%	0.874	69%	0.686	S	S	*	*			trans	-58.9	96.8	177.1	-70.3	-169	138.6	0	0	111.2	V417	E415-V417 PolarHBondContact O-N 3.13Å; E415-V417 VanDerWaalsContact O-N 3.09Å
416	R	36.4	Very low	48.5	Very low	219 Å²	219	120.8 Å²	120.8	83%	0.826	66%	0.662	S	S	*	*			trans	-78.8	96.6	173.9	-71.7	-172.5	-179.6	179.9	3.2	108.9	T414 N418	T414-R416 PolarHBondContact O-N 3.01Å; R416-N418 PolarHBondContact O-N 3.16Å
417	V	39.6	Very low	50.7	Low	102 Å²	102	117.4 Å²	117.4	62%	0.618	64%	0.64	S	S	*	*			trans	-55.3	103.7	164.9	-176.2	0	0	0	0	108.3	E415 F419	E415-V417 PolarHBondContact O-N 3.13Å; E415-V417 VanDerWaalsContact O-N 3.09Å; V417-F419 HydrophobicContact CB-CE2 4.27Å; V417-F419 HydrophobicContact CB-CZ 4.34Å; V417-F419 HydrophobicContact CG1-CE1 4.15Å; V417-F419 HydrophobicContact CG1-CE2 4.27Å; V417-F419 HydrophobicContact CG1-CZ 3.98Å; V417-F419 WeakPolarHBondContact O-CD2 3.28Å; V417-F419 PolarHBondContact O-N 3.4Å
418	N	30.5	Very low	53.1	Low	154 Å²	154	113 Å²	113	82%	0.824	61%	0.609	S	S	*	*			trans	-72.5	97.9	178.3	-93.2	-17.6	0	0	0	109.4	R416	R416-N418 PolarHBondContact O-N 3.16Å
419	F	42.8	Very low	55.4	Low	95 Å²	95	107.9 Å²	107.9	42%	0.417	58%	0.575	S	S	.	*			trans	-70.6	136.6	171.5	-64.2	-77.5	0	0	0	110.6	A307 V417 P424	A307-F419 HydrophobicContact CB-CE2 3.99Å; A307-F419 HydrophobicContact CB-CZ 4.13Å; V417-F419 HydrophobicContact CB-CE2 4.27Å; V417-F419 HydrophobicContact CB-CZ 4.34Å; V417-F419 HydrophobicContact CG1-CE1 4.15Å; V417-F419 HydrophobicContact CG1-CE2 4.27Å; V417-F419 HydrophobicContact CG1-CZ 3.98Å; V417-F419 WeakPolarHBondContact O-CD2 3.28Å; V417-F419 PolarHBondContact O-N 3.4Å; F419-P424 HydrophobicContact CD1-CB 3.59Å; F419-P424 HydrophobicContact CE1-CB 3.64Å; F419-P424 HydrophobicContact CG-CB 4.31Å; F419-P424 HydrophobicContact CZ-CB 4.39Å
420	P	45.4	Very low	57.7	Low	110 Å²	110	104.6 Å²	104.6	71%	0.714	55%	0.546	S	S	*	.			trans	-64	166.7	171.8	28.3	-34.8	0	0	0	111.4	G422	P420-G422 VanDerWaalsContact C-N 3.33Å; P420-G422 PolarHBondContact O-N 3.28Å
421	K	50.6	Low	60.2	Low	227 Å²	227	99.4 Å²	99.4	99%	0.987	52%	0.517	S	S	*	.	S	Bend	trans	-62.8	87	176.5	-69.3	179.8	178	177.4	0	111.1
422	G	65.8	Low	62.7	Low	61 Å²	61	95.2 Å²	95.2	63%	0.629	51%	0.505	S	S	*	.	S	Bend	trans	171.1	-172.7	-178.4	0	0	0	0	0	113.3	P420	P420-G422 VanDerWaalsContact C-N 3.33Å; P420-G422 PolarHBondContact O-N 3.28Å
423	L	80.1	Confident	65.3	Low	52 Å²	52	90.8 Å²	90.8	27%	0.272	48%	0.475	S	S	.	.			trans	-68.8	143	169.1	-77.3	171.4	0	0	0	110.2	W425 Q742 H746	L423-W425 HydrophobicContact CB-CB 4.39Å; L423-W425 HydrophobicContact CB-CG 4.48Å; L423-W425 PolarHBondContact O-N 2.89Å; L423-Q742 VanDerWaalsContact CD2-C 3.46Å; L423-Q742 VanDerWaalsContact CD2-O 3.25Å; L423-Q742 WeakPolarHBondContact CD2-O 3.35Å; L423-H746 WeakPolarHBondContact CD1-CD2 3.4Å
424	P	82.5	Confident	68	Low	31 Å²	31	84.7 Å²	84.7	20%	0.201	44%	0.436	C	S	.	.	S	Bend	trans	-80.1	42.5	173.9	38.1	-39	0	0	0	110.9	V304 M308 F419	V304-P424 HydrophobicContact CG1-CB 3.97Å; V304-P424 HydrophobicContact CG1-CG 3.92Å; V304-P424 WeakPolarHBondContact CG1-O 3.5Å; M308-P424 HydrophobicContact CE-CG 3.4Å; M308-P424 VanDerWaalsContact CE-CG 3.4Å; F419-P424 HydrophobicContact CD1-CB 3.59Å; F419-P424 HydrophobicContact CE1-CB 3.64Å; F419-P424 HydrophobicContact CG-CB 4.31Å; F419-P424 HydrophobicContact CZ-CB 4.39Å
425	W	87.5	Confident	70.6	Confident	18 Å²	18	80.8 Å²	80.8	7%	0.068	41%	0.409	C	S	.	.	S	Bend	trans	-136.6	117.3	-175.3	-56.1	125	0	0	0	110.5	E299 V304 V305 M308 L423 L712 K743 R745	E299-W425 HydrophobicContact CG-CE3 4.49Å; E299-W425 WeakPolarHBondContact OE1-CA 3.29Å; E299-W425 WeakPolarHBondContact OE2-CA 3.3Å; V304-W425 HydrophobicContact CB-CZ3 4.16Å; V304-W425 HydrophobicContact CG1-CE3 3.96Å; V304-W425 HydrophobicContact CG1-CH2 3.91Å; V304-W425 HydrophobicContact CG1-CZ2 4.47Å; V304-W425 HydrophobicContact CG1-CZ3 3.61Å; V305-W425 HydrophobicContact CG2-CH2 3.62Å; V305-W425 HydrophobicContact CG2-CZ2 4.17Å; M308-W425 HydrophobicContact CE-CD2 4.35Å; M308-W425 HydrophobicContact CE-CH2 3.76Å; M308-W425 HydrophobicContact CE-CZ2 3.18Å; M308-W425 HydrophobicContact SD-CZ2 4.4Å; L423-W425 HydrophobicContact CB-CB 4.39Å; L423-W425 HydrophobicContact CB-CG 4.48Å; L423-W425 PolarHBondContact O-N 2.89Å; W425-L712 HydrophobicContact CH2-CD2 3.92Å; W425-L712 HydrophobicContact CZ2-CD1 4.07Å; W425-L712 HydrophobicContact CZ2-CD2 3.67Å; W425-K743 PolarHBondContact NE1-O 3.44Å; W425-R745 HydrophobicContact CB-CB 3.74Å; W425-R745 HydrophobicContact CB-CG 3.72Å; W425-R745 VanDerWaalsContact CD1-N 3.33Å; W425-R745 HydrophobicContact CD2-CB 4.26Å; W425-R745 HydrophobicContact CG-CB 3.71Å; W425-R745 HydrophobicContact CG-CG 4.27Å
426	A	84.9	Confident	73.3	Confident	29 Å²	29	77.5 Å²	77.5	24%	0.24	39%	0.393	C	S	.	.			trans	-60.1	130.8	166	0	0	0	0	0	110.4	P298 E299 R745	P298-A426 HydrophobicContact CB-CB 3.89Å; P298-A426 HydrophobicContact CG-CB 3.97Å; E299-A426 PolarHBondContact OE1-N 3.07Å; E299-A426 VanDerWaalsContact OE1-N 3.13Å; E299-A426 PolarHBondContact OE2-N 3.12Å; A426-R745 WeakPolarHBondContact O-CD 3.47Å; A426-R745 PolarHBondContact O-NE 3.23Å
427	P	87.1	Confident	75.9	Confident	47 Å²	47	69.4 Å²	69.4	31%	0.305	36%	0.364	S	S	.	.			trans	-57.2	150.7	170.5	-24	34	0	0	0	111.7	L748	P427-L748 HydrophobicContact CB-CD2 4.39Å; P427-L748 HydrophobicContact CB-CG 4.49Å
428	K	90	Very high	78.4	Confident	28 Å²	28	64.5 Å²	64.5	12%	0.122	34%	0.335	C	S	.	.			trans	-137.2	127.4	179	-62.4	-168.8	177.7	-148.9	0	111.4	Y476	K428-Y476 HydrophobicContact CD-CD1 4.05Å; K428-Y476 HydrophobicContact CD-CD2 4.07Å; K428-Y476 HydrophobicContact CD-CG 3.8Å; K428-Y476 HydrophobicContact CG-CG 4.31Å; K428-Y476 VanDerWaalsContact NZ-CE2 3.32Å
429	V	90	Very high	81.2	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-116.3	136.1	177.6	-176.2	0	0	0	0	108.4	D433 I434 L471 H474 K475 Y476 L748	V429-D433 HydrophobicContact CG1-CB 3.93Å; V429-I434 HydrophobicContact CG1-CD1 4.17Å; V429-I434 HydrophobicContact CG1-CG1 3.62Å; V429-L471 HydrophobicContact CG1-CB 4.25Å; V429-L471 HydrophobicContact CG1-CD2 3.88Å; V429-L471 HydrophobicContact CG2-CD2 3.88Å; V429-H474 HydrophobicContact CG2-CB 3.86Å; V429-H474 PolarHBondContact N-O 3.24Å; V429-K475 WeakPolarHBondContact O-CA 3.32Å; V429-Y476 PolarHBondContact O-N 3.12Å; V429-L748 HydrophobicContact CG2-CB 4.41Å; V429-L748 HydrophobicContact CG2-CD1 3.91Å; V429-L748 HydrophobicContact CG2-CG 4.2Å
430	R	88.5	Confident	83.5	Confident	60 Å²	60	59.6 Å²	59.6	23%	0.226	31%	0.313	C	S	.	.			trans	-92.3	160.3	170.9	-58	176.1	-64.6	170.7	4.7	110.5	K432 D433 I434	R430-K432 VanDerWaalsContact C-N 3.33Å; R430-K432 PolarHBondContact O-N 3.41Å; R430-D433 HydrophobicContact CB-CB 4.44Å; R430-D433 VanDerWaalsContact CB-OD2 3.3Å; R430-D433 WeakPolarHBondContact CB-OD2 3.43Å; R430-D433 WeakPolarHBondContact CG-OD2 3.31Å; R430-D433 IonicContact CZ-OD1 2.67Å; R430-D433 VanDerWaalsContact CZ-OD1 3.23Å; R430-D433 PolarHBondContact N-OD2 3.24Å; R430-D433 IonicContact NE-OD1 3.89Å; R430-D433 PolarHBondContact NE-OD1 2.7Å; R430-D433 IonicContact NE-OD2 2.72Å; R430-D433 PolarHBondContact NE-OD2 2.89Å; R430-D433 IonicContact NH2-OD1 3.94Å; R430-D433 PolarHBondContact NH2-OD1 2.67Å; R430-D433 WeakPolarHBondContact O-CA 3.43Å; R430-D433 WeakPolarHBondContact O-CB 3.41Å; R430-D433 PolarHBondContact O-N 3.12Å; R430-I434 PolarHBondContact O-N 2.74Å
431	E	89.1	Confident	85.6	Confident	70 Å²	70	54.9 Å²	54.9	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-43.5	-57	166.8	-161.4	95.2	-115.5	0	0	111.7	D433 I434 E435 K475	E431-D433 PolarHBondContact O-N 3.26Å; E431-D433 VanDerWaalsContact O-N 3.1Å; E431-I434 WeakPolarHBondContact O-CA 3.49Å; E431-I434 WeakPolarHBondContact O-CB 3.02Å; E431-I434 PolarHBondContact O-N 3.17Å; E431-E435 VanDerWaalsContact CG-OE1 3.26Å; E431-E435 WeakPolarHBondContact CG-OE1 3.4Å; E431-E435 PolarHBondContact O-N 3.17Å; E431-K475 WeakPolarHBondContact OE1-CE 3.46Å; E431-K475 IonicContact OE1-NZ 3.15Å; E431-K475 PolarHBondContact OE1-NZ 3.31Å; E431-K475 WeakPolarHBondContact OE2-CE 3.4Å; E431-K475 IonicContact OE2-NZ 3.5Å; E431-K475 PolarHBondContact OE2-NZ 3.29Å
432	K	88	Confident	87.6	Confident	145 Å²	145	44.4 Å²	44.4	63%	0.63	24%	0.237	S	C	*	.	H	α-helix	trans	-58.5	-24.9	177.8	-56.6	-163.1	172.4	-168.5	0	115	R430 I434 E435 H436	R430-K432 VanDerWaalsContact C-N 3.33Å; R430-K432 PolarHBondContact O-N 3.41Å; K432-I434 VanDerWaalsContact C-N 3.35Å; K432-E435 VanDerWaalsContact CA-OE2 3.31Å; K432-E435 WeakPolarHBondContact CA-OE2 3.42Å; K432-H436 VanDerWaalsContact O-CB 3.32Å; K432-H436 WeakPolarHBondContact O-CB 3.35Å; K432-H436 PolarHBondContact O-N 3.34Å
433	D	88.7	Confident	88.9	Confident	20 Å²	20	46.4 Å²	46.4	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-78	-23.9	176.2	-51.7	-30.4	0	0	0	111.1	V429 R430 E431 R747 N749	V429-D433 HydrophobicContact CG1-CB 3.93Å; R430-D433 HydrophobicContact CB-CB 4.44Å; R430-D433 VanDerWaalsContact CB-OD2 3.3Å; R430-D433 WeakPolarHBondContact CB-OD2 3.43Å; R430-D433 WeakPolarHBondContact CG-OD2 3.31Å; R430-D433 IonicContact CZ-OD1 2.67Å; R430-D433 VanDerWaalsContact CZ-OD1 3.23Å; R430-D433 PolarHBondContact N-OD2 3.24Å; R430-D433 IonicContact NE-OD1 3.89Å; R430-D433 PolarHBondContact NE-OD1 2.7Å; R430-D433 IonicContact NE-OD2 2.72Å; R430-D433 PolarHBondContact NE-OD2 2.89Å; R430-D433 IonicContact NH2-OD1 3.94Å; R430-D433 PolarHBondContact NH2-OD1 2.67Å; R430-D433 WeakPolarHBondContact O-CA 3.43Å; R430-D433 WeakPolarHBondContact O-CB 3.41Å; R430-D433 PolarHBondContact O-N 3.12Å; E431-D433 PolarHBondContact O-N 3.26Å; E431-D433 VanDerWaalsContact O-N 3.1Å; D433-R747 IonicContact OD1-NH1 3.4Å; D433-R747 IonicContact OD2-CZ 2.88Å; D433-R747 IonicContact OD2-NH1 2.82Å; D433-R747 PolarHBondContact OD2-NH1 3.24Å; D433-N749 PolarHBondContact O-ND2 2.95Å
434	I	91.4	Very high	89.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-83.3	-46.3	174.1	-51.4	-176.2	0	0	0	110.3	V429 R430 E431 K432 F437 L438 T454 L471 K472 K475	V429-I434 HydrophobicContact CG1-CD1 4.17Å; V429-I434 HydrophobicContact CG1-CG1 3.62Å; R430-I434 PolarHBondContact O-N 2.74Å; E431-I434 WeakPolarHBondContact O-CA 3.49Å; E431-I434 WeakPolarHBondContact O-CB 3.02Å; E431-I434 PolarHBondContact O-N 3.17Å; K432-I434 VanDerWaalsContact C-N 3.35Å; I434-F437 PolarHBondContact O-N 3.18Å; I434-L438 HydrophobicContact CG2-CD1 4.01Å; I434-L438 WeakPolarHBondContact O-CB 3.25Å; I434-L438 PolarHBondContact O-N 3.33Å; I434-T454 HydrophobicContact CG2-CG2 4.43Å; I434-L471 HydrophobicContact CD1-CB 4.38Å; I434-L471 HydrophobicContact CG1-CB 4.15Å; I434-K472 HydrophobicContact CD1-CG 4.03Å; I434-K475 HydrophobicContact CD1-CB 4.42Å; I434-K475 HydrophobicContact CD1-CD 4.4Å; I434-K475 HydrophobicContact CD1-CG 4.48Å
435	E	90.6	Very high	89.9	Confident	38 Å²	38	55.2 Å²	55.2	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-52.7	-56.2	175.2	-68.5	163	-177.4	0	0	110.5	E431 K432 F437 L438 E439 T454	E431-E435 VanDerWaalsContact CG-OE1 3.26Å; E431-E435 WeakPolarHBondContact CG-OE1 3.4Å; E431-E435 PolarHBondContact O-N 3.17Å; K432-E435 VanDerWaalsContact CA-OE2 3.31Å; K432-E435 WeakPolarHBondContact CA-OE2 3.42Å; E435-F437 VanDerWaalsContact C-N 3.28Å; E435-F437 PolarHBondContact O-N 2.84Å; E435-L438 CarbonylContact O-C 3.49Å; E435-L438 WeakPolarHBondContact O-CB 3.31Å; E435-L438 PolarHBondContact O-N 2.75Å; E435-E439 WeakPolarHBondContact O-CG 3.07Å; E435-E439 PolarHBondContact O-N 2.86Å; E435-T454 HydrophobicContact CG-CG2 3.59Å
436	H	89.6	Confident	90	Very high	117 Å²	117	58.3 Å²	58.3	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-35.8	-179.9	-178.2	60.7	0	0	0	113.3	K432 T440	K432-H436 VanDerWaalsContact O-CB 3.32Å; K432-H436 WeakPolarHBondContact O-CB 3.35Å; K432-H436 PolarHBondContact O-N 3.34Å; H436-T440 VanDerWaalsContact O-CB 3.3Å; H436-T440 WeakPolarHBondContact O-CB 3.26Å; H436-T440 PolarHBondContact O-N 2.79Å; H436-T440 PolarHBondContact O-OG1 2.61Å
437	F	90.8	Very high	90.1	Very high	49 Å²	49	59.7 Å²	59.7	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-40.7	175.6	176.9	-96.9	0	0	0	111.7	I434 E435 S441 I464 V468 L471	I434-F437 PolarHBondContact O-N 3.18Å; E435-F437 VanDerWaalsContact C-N 3.28Å; E435-F437 PolarHBondContact O-N 2.84Å; F437-S441 VanDerWaalsContact O-CB 3.26Å; F437-S441 WeakPolarHBondContact O-CB 3.49Å; F437-S441 PolarHBondContact O-N 2.75Å; F437-S441 PolarHBondContact O-OG 2.92Å; F437-I464 HydrophobicContact CE1-CG2 3.74Å; F437-I464 HydrophobicContact CZ-CG2 4.17Å; F437-V468 HydrophobicContact CD1-CG2 4.03Å; F437-V468 HydrophobicContact CE1-CG2 3.87Å; F437-L471 HydrophobicContact CB-CD1 4.06Å; F437-L471 HydrophobicContact CD1-CD1 3.61Å; F437-L471 HydrophobicContact CD2-CD1 4.37Å; F437-L471 HydrophobicContact CE1-CD1 4.14Å; F437-L471 HydrophobicContact CG-CD1 3.75Å
438	L	91.9	Very high	89.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70	-45	176.7	-79.6	170.7	0	0	0	112.3	I434 E435 S441 R442 L457 L460 V468	I434-L438 HydrophobicContact CG2-CD1 4.01Å; I434-L438 WeakPolarHBondContact O-CB 3.25Å; I434-L438 PolarHBondContact O-N 3.33Å; E435-L438 CarbonylContact O-C 3.49Å; E435-L438 WeakPolarHBondContact O-CB 3.31Å; E435-L438 PolarHBondContact O-N 2.75Å; L438-S441 PolarHBondContact O-N 2.88Å; L438-R442 WeakPolarHBondContact O-CB 3.15Å; L438-R442 WeakPolarHBondContact O-CG 3.37Å; L438-R442 PolarHBondContact O-N 3.23Å; L438-L457 HydrophobicContact CD2-CD2 3.58Å; L438-L460 HydrophobicContact CD2-CD1 3.96Å; L438-V468 HydrophobicContact CD2-CG2 3.62Å; L438-V468 HydrophobicContact CG-CG2 4.13Å
439	E	90.8	Very high	89.4	Confident	68 Å²	68	65.4 Å²	65.4	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-51.3	173.9	-71.7	175.1	158.5	0	0	111.3	E435 S441 R442 N443 T449	E435-E439 WeakPolarHBondContact O-CG 3.07Å; E435-E439 PolarHBondContact O-N 2.86Å; E439-S441 VanDerWaalsContact C-N 3.27Å; E439-S441 PolarHBondContact O-N 3.21Å; E439-R442 PolarHBondContact O-N 3.24Å; E439-N443 VanDerWaalsContact O-CB 3.24Å; E439-N443 WeakPolarHBondContact O-CB 3.5Å; E439-N443 PolarHBondContact O-N 3.44Å; E439-T449 HydrophobicContact CB-CG2 4.11Å; E439-T449 HydrophobicContact CG-CG2 4.43Å
440	T	89.7	Confident	88.8	Confident	77 Å²	77	68.7 Å²	68.7	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-57.5	-41.6	176.6	-55.1	0	0	0	0	111.5	H436 K444	H436-T440 VanDerWaalsContact O-CB 3.3Å; H436-T440 WeakPolarHBondContact O-CB 3.26Å; H436-T440 PolarHBondContact O-N 2.79Å; H436-T440 PolarHBondContact O-OG1 2.61Å; T440-K444 VanDerWaalsContact O-CB 3.27Å; T440-K444 WeakPolarHBondContact O-CB 3.35Å; T440-K444 PolarHBondContact O-N 3.49Å; T440-K444 VanDerWaalsContact O-N 3.1Å
441	S	90.9	Very high	88.2	Confident	12 Å²	12	68.4 Å²	68.4	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-69.4	-48.5	179.1	-63.6	0	0	0	0	112.7	F437 L438 E439 K444 F445	F437-S441 VanDerWaalsContact O-CB 3.26Å; F437-S441 WeakPolarHBondContact O-CB 3.49Å; F437-S441 PolarHBondContact O-N 2.75Å; F437-S441 PolarHBondContact O-OG 2.92Å; L438-S441 PolarHBondContact O-N 2.88Å; E439-S441 VanDerWaalsContact C-N 3.27Å; E439-S441 PolarHBondContact O-N 3.21Å; S441-K444 PolarHBondContact O-N 3.07Å; S441-F445 WeakPolarHBondContact O-CD2 3.18Å; S441-F445 PolarHBondContact O-N 3.4Å
442	R	92.6	Very high	87.6	Confident	6 Å²	6	72 Å²	72	2%	0.023	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-42.4	179.9	-66.9	166.3	179.3	156.9	-0.2	110.9	L438 E439 K444 F445 I446 G447 F448 L450 D453 T456 L460	L438-R442 WeakPolarHBondContact O-CB 3.15Å; L438-R442 WeakPolarHBondContact O-CG 3.37Å; L438-R442 PolarHBondContact O-N 3.23Å; E439-R442 PolarHBondContact O-N 3.24Å; R442-K444 VanDerWaalsContact C-N 3.33Å; R442-K444 PolarHBondContact O-N 3.45Å; R442-F445 PolarHBondContact O-N 3.16Å; R442-I446 HydrophobicContact CB-CD1 4.44Å; R442-I446 HydrophobicContact CG-CD1 4.35Å; R442-I446 CarbonylContact O-C 3.32Å; R442-I446 VanDerWaalsContact O-CA 3.29Å; R442-I446 WeakPolarHBondContact O-CA 3.28Å; R442-I446 VanDerWaalsContact O-CB 3.25Å; R442-I446 WeakPolarHBondContact O-CB 3.2Å; R442-I446 PolarHBondContact O-N 2.92Å; R442-G447 PolarHBondContact O-N 3.37Å; R442-F448 CarbonylContact C-O 3.38Å; R442-F448 WeakPolarHBondContact CB-O 3.43Å; R442-L450 PolarHBondContact NH1-O 2.88Å; R442-D453 IonicContact CZ-OD2 3.38Å; R442-D453 PolarHBondContact NH1-O 3.49Å; R442-D453 IonicContact NH1-OD2 3.54Å; R442-D453 PolarHBondContact NH2-O 3.12Å; R442-D453 VanDerWaalsContact NH2-O 3.17Å; R442-D453 IonicContact NH2-OD2 2.65Å; R442-D453 PolarHBondContact NH2-OD2 2.86Å; R442-T456 PolarHBondContact NE-O 2.83Å; R442-T456 PolarHBondContact NH2-O 2.94Å; R442-L460 HydrophobicContact CG-CD1 4.13Å; R442-L460 HydrophobicContact CG-CD2 4.08Å; R442-L460 HydrophobicContact CG-CG 4.49Å
443	N	91.3	Very high	87.5	Confident	103 Å²	103	66.9 Å²	66.9	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-44.4	173.3	-169.2	35.8	0	0	0	111.4	E439 G447 T449	E439-N443 VanDerWaalsContact O-CB 3.24Å; E439-N443 WeakPolarHBondContact O-CB 3.5Å; E439-N443 PolarHBondContact O-N 3.44Å; N443-G447 VanDerWaalsContact O-CA 3.3Å; N443-G447 WeakPolarHBondContact O-CA 3.47Å; N443-G447 PolarHBondContact O-N 3.22Å; N443-G447 VanDerWaalsContact O-N 3.12Å; N443-T449 HydrophobicContact CB-CG2 4Å
444	K	92.1	Very high	87.5	Confident	163 Å²	163	66.9 Å²	66.9	71%	0.709	36%	0.361	S	S	*	.	H	α-helix	trans	-66.2	-39.4	179.7	-179.4	175.7	178.4	178.1	0	114.4	T440 S441 R442	T440-K444 VanDerWaalsContact O-CB 3.27Å; T440-K444 WeakPolarHBondContact O-CB 3.35Å; T440-K444 PolarHBondContact O-N 3.49Å; T440-K444 VanDerWaalsContact O-N 3.1Å; S441-K444 PolarHBondContact O-N 3.07Å; R442-K444 VanDerWaalsContact C-N 3.33Å; R442-K444 PolarHBondContact O-N 3.45Å
445	F	91.5	Very high	87.4	Confident	106 Å²	106	73 Å²	73	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-104.3	-21.8	-171.3	-73.4	-78.2	0	0	0	114.6	S441 R442 L460 P461 I464	S441-F445 WeakPolarHBondContact O-CD2 3.18Å; S441-F445 PolarHBondContact O-N 3.4Å; R442-F445 PolarHBondContact O-N 3.16Å; F445-L460 HydrophobicContact CB-CD2 4.27Å; F445-P461 HydrophobicContact CD1-CG 3.85Å; F445-P461 HydrophobicContact CE1-CG 3.75Å; F445-P461 HydrophobicContact CG-CG 4.27Å; F445-P461 HydrophobicContact CZ-CG 4.1Å; F445-I464 HydrophobicContact CD2-CD1 3.62Å; F445-I464 HydrophobicContact CE2-CD1 3.47Å; F445-I464 VanDerWaalsContact CE2-CD1 3.47Å; F445-I464 HydrophobicContact CZ-CD1 4.34Å
446	I	89.7	Confident	87.3	Confident	83 Å²	83	73.9 Å²	73.9	43%	0.426	40%	0.397	S	S	.	.	H	α-helix	trans	-122.7	-22.7	-173.7	-47.9	177.1	0	0	0	111.1	R442 F448 V458 L460	R442-I446 HydrophobicContact CB-CD1 4.44Å; R442-I446 HydrophobicContact CG-CD1 4.35Å; R442-I446 CarbonylContact O-C 3.32Å; R442-I446 VanDerWaalsContact O-CA 3.29Å; R442-I446 WeakPolarHBondContact O-CA 3.28Å; R442-I446 VanDerWaalsContact O-CB 3.25Å; R442-I446 WeakPolarHBondContact O-CB 3.2Å; R442-I446 PolarHBondContact O-N 2.92Å; I446-F448 VanDerWaalsContact C-N 3.28Å; I446-F448 PolarHBondContact O-N 2.87Å; I446-V458 WeakPolarHBondContact CD1-O 3.07Å; I446-L460 HydrophobicContact CD1-CD2 3.88Å; I446-L460 HydrophobicContact CD1-CG 4.29Å; I446-L460 HydrophobicContact CG1-CD2 4.28Å
447	G	87.9	Confident	87.3	Confident	57 Å²	57	69.8 Å²	69.8	59%	0.588	38%	0.379	S	S	*	.	S	Bend	trans	75.9	12.4	-177.8	0	0	0	0	0	114.5	R442 N443	R442-G447 PolarHBondContact O-N 3.37Å; N443-G447 VanDerWaalsContact O-CA 3.3Å; N443-G447 WeakPolarHBondContact O-CA 3.47Å; N443-G447 PolarHBondContact O-N 3.22Å; N443-G447 VanDerWaalsContact O-N 3.12Å
448	F	83.9	Confident	87.2	Confident	134 Å²	134	73.1 Å²	73.1	59%	0.588	40%	0.403	S	S	*	.			trans	-142.4	152.3	-178.5	-176	-102.4	0	0	0	110.6	R442 I446 L450	R442-F448 CarbonylContact C-O 3.38Å; R442-F448 WeakPolarHBondContact CB-O 3.43Å; I446-F448 VanDerWaalsContact C-N 3.28Å; I446-F448 PolarHBondContact O-N 2.87Å; F448-L450 HydrophobicContact CE1-CD2 3.87Å; F448-L450 HydrophobicContact CE1-CG 4.16Å
449	T	79.4	Confident	87	Confident	62 Å²	62	75.8 Å²	75.8	38%	0.38	43%	0.431	S	S	.	.			trans	-124.7	134.7	177.6	51.5	0	0	0	0	111.6	E439 N443	E439-T449 HydrophobicContact CB-CG2 4.11Å; E439-T449 HydrophobicContact CG-CG2 4.43Å; N443-T449 HydrophobicContact CB-CG2 4Å
450	L	76.1	Confident	87	Confident	72 Å²	72	73.2 Å²	73.2	38%	0.377	42%	0.419	S	S	.	.			trans	-96.2	106.5	168.8	-67.1	161.2	0	0	0	107.2	R442 F448 D453 T456	R442-L450 PolarHBondContact NH1-O 2.88Å; F448-L450 HydrophobicContact CE1-CD2 3.87Å; F448-L450 HydrophobicContact CE1-CG 4.16Å; L450-D453 HydrophobicContact CB-CB 3.97Å; L450-T456 HydrophobicContact CD1-CG2 4.09Å
451	G	75.6	Confident	87.3	Confident	54 Å²	54	71.8 Å²	71.8	56%	0.557	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	143.9	177.3	0	0	0	0	0	111.5	D453	G451-D453 PolarHBondContact O-N 3.14Å
452	N	77.3	Confident	87.4	Confident	146 Å²	146	81.2 Å²	81.2	78%	0.781	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	5.8	-179.7	-56.3	-17.8	0	0	0	116.4
453	D	86.6	Confident	87.5	Confident	37 Å²	37	84.8 Å²	84.8	20%	0.198	47%	0.469	C	S	.	.			trans	-96	119.1	176.2	169	50.5	0	0	0	111.8	R442 L450 G451 E455 T456	R442-D453 IonicContact CZ-OD2 3.38Å; R442-D453 PolarHBondContact NH1-O 3.49Å; R442-D453 IonicContact NH1-OD2 3.54Å; R442-D453 PolarHBondContact NH2-O 3.12Å; R442-D453 VanDerWaalsContact NH2-O 3.17Å; R442-D453 IonicContact NH2-OD2 2.65Å; R442-D453 PolarHBondContact NH2-OD2 2.86Å; L450-D453 HydrophobicContact CB-CB 3.97Å; G451-D453 PolarHBondContact O-N 3.14Å; D453-E455 PolarHBondContact OD1-N 3.42Å; D453-T456 PolarHBondContact OD1-N 3.12Å; D453-T456 PolarHBondContact OD1-OG1 3.05Å; D453-T456 WeakPolarHBondContact OD2-CA 3.43Å; D453-T456 WeakPolarHBondContact OD2-CB 3.45Å; D453-T456 PolarHBondContact OD2-N 3.32Å; D453-T456 PolarHBondContact OD2-OG1 2.93Å
454	T	87.6	Confident	87.6	Confident	19 Å²	19	80.6 Å²	80.6	12%	0.117	45%	0.446	C	S	.	.	S	Bend	trans	-105.3	1.9	174.5	63	0	0	0	0	114	I434 E435 K472	I434-T454 HydrophobicContact CG2-CG2 4.43Å; E435-T454 HydrophobicContact CG-CG2 3.59Å; T454-K472 WeakPolarHBondContact O-CE 3.46Å; T454-K472 PolarHBondContact O-NZ 3.2Å
455	E	88.8	Confident	87.6	Confident	130 Å²	130	77.6 Å²	77.6	61%	0.607	43%	0.434	S	S	*	.	S	Bend	trans	-105.4	-33.5	-173.8	-64	-56	143.6	0	0	114.1	D453 L457 K472	D453-E455 PolarHBondContact OD1-N 3.42Å; E455-L457 PolarHBondContact O-N 2.87Å; E455-L457 VanDerWaalsContact O-N 3.11Å; E455-K472 IonicContact OE1-NZ 2.78Å; E455-K472 PolarHBondContact OE1-NZ 3.19Å; E455-K472 IonicContact OE2-NZ 3.23Å; E455-K472 PolarHBondContact OE2-NZ 3.38Å
456	T	88.4	Confident	87.7	Confident	56 Å²	56	78.6 Å²	78.6	34%	0.344	44%	0.441	S	S	.	.			trans	-75.4	106.7	-172.9	-47.4	0	0	0	0	112.5	R442 L450 D453 V458	R442-T456 PolarHBondContact NE-O 2.83Å; R442-T456 PolarHBondContact NH2-O 2.94Å; L450-T456 HydrophobicContact CD1-CG2 4.09Å; D453-T456 PolarHBondContact OD1-N 3.12Å; D453-T456 PolarHBondContact OD1-OG1 3.05Å; D453-T456 WeakPolarHBondContact OD2-CA 3.43Å; D453-T456 WeakPolarHBondContact OD2-CB 3.45Å; D453-T456 PolarHBondContact OD2-N 3.32Å; D453-T456 PolarHBondContact OD2-OG1 2.93Å; T456-V458 HydrophobicContact CG2-CB 4.22Å; T456-V458 HydrophobicContact CG2-CG2 4.15Å
457	L	90.8	Very high	87.9	Confident	31 Å²	31	77 Å²	77	16%	0.162	44%	0.436	C	S	.	.			trans	-102.4	3.3	176.5	-55.6	-177.8	0	0	0	113.9	L438 E455 G459 L460 H465 V468	L438-L457 HydrophobicContact CD2-CD2 3.58Å; E455-L457 PolarHBondContact O-N 2.87Å; E455-L457 VanDerWaalsContact O-N 3.11Å; L457-G459 PolarHBondContact O-N 3.4Å; L457-L460 HydrophobicContact CD2-CD1 4.18Å; L457-L460 WeakPolarHBondContact O-CB 3.44Å; L457-L460 PolarHBondContact O-N 3.08Å; L457-L460 VanDerWaalsContact O-N 3.15Å; L457-H465 HydrophobicContact CD1-CB 4.15Å; L457-V468 HydrophobicContact CD2-CB 4.25Å; L457-V468 HydrophobicContact CD2-CG1 4.15Å; L457-V468 HydrophobicContact CD2-CG2 3.92Å
458	V	88.4	Confident	88.1	Confident	119 Å²	119	74.3 Å²	74.3	72%	0.721	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	134.2	-179.1	-176.4	0	0	0	0	110.4	I446 T456 L460	I446-V458 WeakPolarHBondContact CD1-O 3.07Å; T456-V458 HydrophobicContact CG2-CB 4.22Å; T456-V458 HydrophobicContact CG2-CG2 4.15Å; V458-L460 VanDerWaalsContact C-N 3.3Å; V458-L460 PolarHBondContact O-N 3Å
459	G	86.8	Confident	88.5	Confident	56 Å²	56	75.4 Å²	75.4	58%	0.577	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-7.3	-178	0	0	0	0	0	115.4	L457	L457-G459 PolarHBondContact O-N 3.4Å
460	L	92.5	Very high	89.1	Confident	14 Å²	14	75.4 Å²	75.4	7%	0.073	41%	0.414	C	S	.	.	S	Bend	trans	-89.5	145.5	178.3	-59.5	177.9	0	0	0	112.1	L438 R442 F445 I446 L457 V458 I464	L438-L460 HydrophobicContact CD2-CD1 3.96Å; R442-L460 HydrophobicContact CG-CD1 4.13Å; R442-L460 HydrophobicContact CG-CD2 4.08Å; R442-L460 HydrophobicContact CG-CG 4.49Å; F445-L460 HydrophobicContact CB-CD2 4.27Å; I446-L460 HydrophobicContact CD1-CD2 3.88Å; I446-L460 HydrophobicContact CD1-CG 4.29Å; I446-L460 HydrophobicContact CG1-CD2 4.28Å; L457-L460 HydrophobicContact CD2-CD1 4.18Å; L457-L460 WeakPolarHBondContact O-CB 3.44Å; L457-L460 PolarHBondContact O-N 3.08Å; L457-L460 VanDerWaalsContact O-N 3.15Å; V458-L460 VanDerWaalsContact C-N 3.3Å; V458-L460 PolarHBondContact O-N 3Å; L460-I464 HydrophobicContact CB-CB 4.31Å; L460-I464 HydrophobicContact CB-CD1 4.48Å; L460-I464 HydrophobicContact CB-CG2 4.4Å; L460-I464 HydrophobicContact CD1-CG2 4.06Å; L460-I464 HydrophobicContact CD2-CD1 4.47Å
461	P	94.6	Very high	89.9	Confident	47 Å²	47	72.2 Å²	72.2	31%	0.305	40%	0.397	S	S	.	.			trans	-61.8	148.8	172.5	-27.5	35.1	0	0	0	114.3	F445 P463 I464 H465	F445-P461 HydrophobicContact CD1-CG 3.85Å; F445-P461 HydrophobicContact CE1-CG 3.75Å; F445-P461 HydrophobicContact CG-CG 4.27Å; F445-P461 HydrophobicContact CZ-CG 4.1Å; P461-P463 VanDerWaalsContact C-CD 3.46Å; P461-I464 HydrophobicContact CB-CG1 4.48Å; P461-I464 HydrophobicContact CG-CD1 4.41Å; P461-I464 WeakPolarHBondContact O-CA 3.41Å; P461-I464 WeakPolarHBondContact O-CB 3.26Å; P461-I464 PolarHBondContact O-N 2.98Å; P461-H465 PolarHBondContact O-CD2 3.26Å; P461-H465 PolarHBondContact O-N 3.47Å
462	R	92.9	Very high	90.7	Very high	211 Å²	211	72.6 Å²	72.6	80%	0.796	38%	0.383	S	S	*	.	H	α-helix	trans	-48.7	-41.9	179	-68.3	-175.6	-179.6	-178.1	0.6	115.2	I464 H465 E466	R462-I464 PolarHBondContact O-N 3.29Å; R462-H465 WeakPolarHBondContact O-CB 3.34Å; R462-H465 PolarHBondContact O-N 2.91Å; R462-E466 PolarHBondContact O-N 3.47Å; R462-E466 VanDerWaalsContact O-N 3.1Å
463	P	94.9	Very high	91.3	Very high	80 Å²	80	72.7 Å²	72.7	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-27.4	176.6	-26.1	36.5	0	0	0	113.9	P461 S467	P461-P463 VanDerWaalsContact C-CD 3.46Å; P463-S467 WeakPolarHBondContact O-CB 3.37Å; P463-S467 PolarHBondContact O-N 2.78Å; P463-S467 PolarHBondContact O-OG 3.01Å
464	I	92.9	Very high	91.5	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.082	38%	0.383	C	S	.	.	H	α-helix	trans	-73.5	-36.7	175.1	-51.7	-170	0	0	0	110.1	F437 F445 L460 P461 R462 E466 S467 V468	F437-I464 HydrophobicContact CE1-CG2 3.74Å; F437-I464 HydrophobicContact CZ-CG2 4.17Å; F445-I464 HydrophobicContact CD2-CD1 3.62Å; F445-I464 HydrophobicContact CE2-CD1 3.47Å; F445-I464 VanDerWaalsContact CE2-CD1 3.47Å; F445-I464 HydrophobicContact CZ-CD1 4.34Å; L460-I464 HydrophobicContact CB-CB 4.31Å; L460-I464 HydrophobicContact CB-CD1 4.48Å; L460-I464 HydrophobicContact CB-CG2 4.4Å; L460-I464 HydrophobicContact CD1-CG2 4.06Å; L460-I464 HydrophobicContact CD2-CD1 4.47Å; P461-I464 HydrophobicContact CB-CG1 4.48Å; P461-I464 HydrophobicContact CG-CD1 4.41Å; P461-I464 WeakPolarHBondContact O-CA 3.41Å; P461-I464 WeakPolarHBondContact O-CB 3.26Å; P461-I464 PolarHBondContact O-N 2.98Å; R462-I464 PolarHBondContact O-N 3.29Å; I464-E466 VanDerWaalsContact C-N 3.35Å; I464-E466 PolarHBondContact O-N 2.74Å; I464-S467 WeakPolarHBondContact O-CB 3.29Å; I464-S467 PolarHBondContact O-N 3.3Å; I464-V468 HydrophobicContact CG2-CG2 4.36Å; I464-V468 VanDerWaalsContact O-CG2 3.29Å; I464-V468 WeakPolarHBondContact O-CG2 3.46Å; I464-V468 PolarHBondContact O-N 3.34Å
465	H	93.9	Very high	91.6	Very high	99 Å²	99	76.8 Å²	76.8	46%	0.458	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.6	-64.6	-144	0	0	0	111.1	L457 P461 R462 S467 V468 K469	L457-H465 HydrophobicContact CD1-CB 4.15Å; P461-H465 PolarHBondContact O-CD2 3.26Å; P461-H465 PolarHBondContact O-N 3.47Å; R462-H465 WeakPolarHBondContact O-CB 3.34Å; R462-H465 PolarHBondContact O-N 2.91Å; H465-S467 VanDerWaalsContact C-N 3.35Å; H465-V468 PolarHBondContact O-N 2.9Å; H465-K469 VanDerWaalsContact O-CB 3.32Å; H465-K469 WeakPolarHBondContact O-CB 3.1Å; H465-K469 PolarHBondContact O-N 3.47Å
466	E	93.3	Very high	91.7	Very high	128 Å²	128	73.2 Å²	73.2	60%	0.598	38%	0.376	S	S	*	.	H	α-helix	trans	-64.2	-39.9	175.1	-68.1	173.7	-176	0	0	111.8	R462 I464 K469 T470	R462-E466 PolarHBondContact O-N 3.47Å; R462-E466 VanDerWaalsContact O-N 3.1Å; I464-E466 VanDerWaalsContact C-N 3.35Å; I464-E466 PolarHBondContact O-N 2.74Å; E466-K469 PolarHBondContact O-N 2.82Å; E466-T470 WeakPolarHBondContact O-CB 3.42Å; E466-T470 PolarHBondContact O-N 2.85Å; E466-T470 PolarHBondContact O-OG1 3.34Å
467	S	92.3	Very high	91.9	Very high	48 Å²	48	72.5 Å²	72.5	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-48.9	174.8	-59.4	0	0	0	0	111.6	P463 I464 H465 K469 T470 L471	P463-S467 WeakPolarHBondContact O-CB 3.37Å; P463-S467 PolarHBondContact O-N 2.78Å; P463-S467 PolarHBondContact O-OG 3.01Å; I464-S467 WeakPolarHBondContact O-CB 3.29Å; I464-S467 PolarHBondContact O-N 3.3Å; H465-S467 VanDerWaalsContact C-N 3.35Å; S467-K469 PolarHBondContact O-N 2.96Å; S467-T470 WeakPolarHBondContact O-CB 3.5Å; S467-T470 PolarHBondContact O-N 3.44Å; S467-L471 VanDerWaalsContact O-CG 3.31Å; S467-L471 WeakPolarHBondContact O-CG 3.27Å; S467-L471 PolarHBondContact O-N 2.97Å
468	V	92.9	Very high	92	Very high	2 Å²	2	72 Å²	72	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-42.2	177	175.4	0	0	0	0	111.2	F437 L438 L457 I464 H465 T470 L471 K472	F437-V468 HydrophobicContact CD1-CG2 4.03Å; F437-V468 HydrophobicContact CE1-CG2 3.87Å; L438-V468 HydrophobicContact CD2-CG2 3.62Å; L438-V468 HydrophobicContact CG-CG2 4.13Å; L457-V468 HydrophobicContact CD2-CB 4.25Å; L457-V468 HydrophobicContact CD2-CG1 4.15Å; L457-V468 HydrophobicContact CD2-CG2 3.92Å; I464-V468 HydrophobicContact CG2-CG2 4.36Å; I464-V468 VanDerWaalsContact O-CG2 3.29Å; I464-V468 WeakPolarHBondContact O-CG2 3.46Å; I464-V468 PolarHBondContact O-N 3.34Å; H465-V468 PolarHBondContact O-N 2.9Å; V468-T470 VanDerWaalsContact C-N 3.3Å; V468-T470 PolarHBondContact O-N 3.29Å; V468-L471 PolarHBondContact O-N 3.11Å; V468-K472 HydrophobicContact CG1-CD 4.16Å; V468-K472 HydrophobicContact CG1-CG 4.28Å; V468-K472 WeakPolarHBondContact O-CB 3.29Å; V468-K472 WeakPolarHBondContact O-CG 3.29Å; V468-K472 PolarHBondContact O-N 2.72Å
469	K	93.5	Very high	92.3	Very high	156 Å²	156	67.1 Å²	67.1	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-57.2	-44.4	174.8	-176.3	-179.2	178.5	-177	0	111.4	H465 E466 S467 K472 Q473	H465-K469 VanDerWaalsContact O-CB 3.32Å; H465-K469 WeakPolarHBondContact O-CB 3.1Å; H465-K469 PolarHBondContact O-N 3.47Å; E466-K469 PolarHBondContact O-N 2.82Å; S467-K469 PolarHBondContact O-N 2.96Å; K469-K472 PolarHBondContact O-N 3.27Å; K469-Q473 WeakPolarHBondContact O-CB 3.19Å; K469-Q473 PolarHBondContact O-N 3.21Å
470	T	91.7	Very high	92.7	Very high	63 Å²	63	65.2 Å²	65.2	39%	0.387	32%	0.318	S	S	.	.	H	α-helix	trans	-66.4	-42.5	177.2	-53.2	0	0	0	0	111.8	E466 S467 V468 Q473 H474 L748	E466-T470 WeakPolarHBondContact O-CB 3.42Å; E466-T470 PolarHBondContact O-N 2.85Å; E466-T470 PolarHBondContact O-OG1 3.34Å; S467-T470 WeakPolarHBondContact O-CB 3.5Å; S467-T470 PolarHBondContact O-N 3.44Å; V468-T470 VanDerWaalsContact C-N 3.3Å; V468-T470 PolarHBondContact O-N 3.29Å; T470-Q473 PolarHBondContact O-N 3.24Å; T470-H474 PolarHBondContact O-CD2 3.03Å; T470-H474 PolarHBondContact O-N 3.13Å; T470-L748 HydrophobicContact CG2-CD1 4.08Å
471	L	91.9	Very high	92.7	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.6	-71.7	172.2	0	0	0	111.8	V429 I434 F437 S467 V468 H474 K475 L748	V429-L471 HydrophobicContact CG1-CB 4.25Å; V429-L471 HydrophobicContact CG1-CD2 3.88Å; V429-L471 HydrophobicContact CG2-CD2 3.88Å; I434-L471 HydrophobicContact CD1-CB 4.38Å; I434-L471 HydrophobicContact CG1-CB 4.15Å; F437-L471 HydrophobicContact CB-CD1 4.06Å; F437-L471 HydrophobicContact CD1-CD1 3.61Å; F437-L471 HydrophobicContact CD2-CD1 4.37Å; F437-L471 HydrophobicContact CE1-CD1 4.14Å; F437-L471 HydrophobicContact CG-CD1 3.75Å; S467-L471 VanDerWaalsContact O-CG 3.31Å; S467-L471 WeakPolarHBondContact O-CG 3.27Å; S467-L471 PolarHBondContact O-N 2.97Å; V468-L471 PolarHBondContact O-N 3.11Å; L471-H474 CarbonylContact O-C 3.35Å; L471-H474 PolarHBondContact O-N 3.45Å; L471-K475 PolarHBondContact O-N 2.88Å; L471-K475 VanDerWaalsContact O-N 3.13Å; L471-L748 HydrophobicContact CD2-CB 3.91Å; L471-L748 HydrophobicContact CD2-CD1 4.05Å
472	K	92	Very high	92.7	Very high	61 Å²	61	68 Å²	68	27%	0.265	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-39.9	175.9	-72.9	-172.5	-177.5	-167.8	0	112.5	I434 T454 E455 V468 K469 H474 K475	I434-K472 HydrophobicContact CD1-CG 4.03Å; T454-K472 WeakPolarHBondContact O-CE 3.46Å; T454-K472 PolarHBondContact O-NZ 3.2Å; E455-K472 IonicContact OE1-NZ 2.78Å; E455-K472 PolarHBondContact OE1-NZ 3.19Å; E455-K472 IonicContact OE2-NZ 3.23Å; E455-K472 PolarHBondContact OE2-NZ 3.38Å; V468-K472 HydrophobicContact CG1-CD 4.16Å; V468-K472 HydrophobicContact CG1-CG 4.28Å; V468-K472 WeakPolarHBondContact O-CB 3.29Å; V468-K472 WeakPolarHBondContact O-CG 3.29Å; V468-K472 PolarHBondContact O-N 2.72Å; K469-K472 PolarHBondContact O-N 3.27Å; K472-H474 PolarHBondContact O-N 3.49Å; K472-K475 VanDerWaalsContact O-CB 3.23Å; K472-K475 WeakPolarHBondContact O-CB 3.34Å; K472-K475 PolarHBondContact O-N 3.09Å
473	Q	90.8	Very high	92.8	Very high	149 Å²	149	59 Å²	59	70%	0.696	30%	0.295	S	S	*	.	H	α-helix	trans	-59.3	-31.2	174.9	-176.2	176.6	-2.4	0	0	112.8	K469 T470	K469-Q473 WeakPolarHBondContact O-CB 3.19Å; K469-Q473 PolarHBondContact O-N 3.21Å; T470-Q473 PolarHBondContact O-N 3.24Å
474	H	90.1	Very high	92.8	Very high	61 Å²	61	57.7 Å²	57.7	28%	0.282	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	15.4	176.2	-70.2	-76.3	0	0	0	114.1	V429 T470 L471 K472 Y476 L748	V429-H474 HydrophobicContact CG2-CB 3.86Å; V429-H474 PolarHBondContact N-O 3.24Å; T470-H474 PolarHBondContact O-CD2 3.03Å; T470-H474 PolarHBondContact O-N 3.13Å; L471-H474 CarbonylContact O-C 3.35Å; L471-H474 PolarHBondContact O-N 3.45Å; K472-H474 PolarHBondContact O-N 3.49Å; H474-Y476 PolarHBondContact O-N 3.48Å; H474-L748 HydrophobicContact CB-CD1 4.33Å
475	K	91.1	Very high	92.8	Very high	81 Å²	81	62.7 Å²	62.7	35%	0.352	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-62.5	118.3	175.3	-175.7	177	174.4	178.2	0	109.6	V429 E431 I434 L471 K472 V477	V429-K475 WeakPolarHBondContact O-CA 3.32Å; E431-K475 WeakPolarHBondContact OE1-CE 3.46Å; E431-K475 IonicContact OE1-NZ 3.15Å; E431-K475 PolarHBondContact OE1-NZ 3.31Å; E431-K475 WeakPolarHBondContact OE2-CE 3.4Å; E431-K475 IonicContact OE2-NZ 3.5Å; E431-K475 PolarHBondContact OE2-NZ 3.29Å; I434-K475 HydrophobicContact CD1-CB 4.42Å; I434-K475 HydrophobicContact CD1-CD 4.4Å; I434-K475 HydrophobicContact CD1-CG 4.48Å; L471-K475 PolarHBondContact O-N 2.88Å; L471-K475 VanDerWaalsContact O-N 3.13Å; K472-K475 VanDerWaalsContact O-CB 3.23Å; K472-K475 WeakPolarHBondContact O-CB 3.34Å; K472-K475 PolarHBondContact O-N 3.09Å; K475-V477 HydrophobicContact CG-CG2 4.41Å
476	Y	91	Very high	92.6	Very high	55 Å²	55	63.9 Å²	63.9	22%	0.216	31%	0.305	C	S	.	.			trans	-112.4	110.4	175.9	171	-94.1	0	0	0	109.2	L297 K428 V429 H474	L297-Y476 HydrophobicContact CD2-CE2 4.02Å; K428-Y476 HydrophobicContact CD-CD1 4.05Å; K428-Y476 HydrophobicContact CD-CD2 4.07Å; K428-Y476 HydrophobicContact CD-CG 3.8Å; K428-Y476 HydrophobicContact CG-CG 4.31Å; K428-Y476 VanDerWaalsContact NZ-CE2 3.32Å; V429-Y476 PolarHBondContact O-N 3.12Å; H474-Y476 PolarHBondContact O-N 3.48Å
477	V	92.3	Very high	92.4	Very high	41 Å²	41	58 Å²	58	25%	0.248	28%	0.277	C	S	.	.			trans	-91.9	131.2	169.7	-176.2	0	0	0	0	109.4	R289 L294 K475 E481 I482	R289-V477 PolarHBondContact NH1-O 3.15Å; R289-V477 PolarHBondContact NH2-O 2.93Å; L294-V477 HydrophobicContact CD2-CB 3.82Å; L294-V477 HydrophobicContact CD2-CG1 3.92Å; K475-V477 HydrophobicContact CG-CG2 4.41Å; V477-E481 HydrophobicContact CG1-CB 4.5Å; V477-I482 HydrophobicContact CG1-CD1 4.39Å; V477-I482 HydrophobicContact CG1-CG1 4.03Å
478	S	92.6	Very high	92.3	Very high	21 Å²	21	60.5 Å²	60.5	15%	0.147	28%	0.283	C	S	.	.			trans	-97.8	153.6	175.1	69.6	0	0	0	0	112.1	S480 E481 I482	S478-S480 PolarHBondContact O-N 2.92Å; S478-E481 WeakPolarHBondContact CA-OE2 3.04Å; S478-E481 VanDerWaalsContact CB-OE2 3.24Å; S478-E481 WeakPolarHBondContact CB-OE2 3.11Å; S478-E481 PolarHBondContact N-OE2 3.04Å; S478-E481 PolarHBondContact O-N 3.07Å; S478-E481 VanDerWaalsContact OG-CD 3.24Å; S478-E481 WeakPolarHBondContact OG-CG 3.29Å; S478-E481 PolarHBondContact OG-N 3.47Å; S478-E481 PolarHBondContact OG-OE2 3.44Å; S478-I482 PolarHBondContact O-N 3.02Å
479	V	94.8	Very high	92	Very high	15 Å²	15	63.6 Å²	63.6	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-54	-38.7	172.6	178.5	0	0	0	0	110.7	R289 L292 L294 E481 I482 Q483	R289-V479 HydrophobicContact CG-CG2 3.89Å; L292-V479 HydrophobicContact CD1-CB 4.5Å; L292-V479 HydrophobicContact CD1-CG1 3.94Å; L292-V479 HydrophobicContact CD1-CG2 4.35Å; L294-V479 HydrophobicContact CD1-CG2 4.49Å; V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 2.93Å; V479-I482 PolarHBondContact O-N 3.47Å; V479-Q483 HydrophobicContact CG1-CG 4.39Å; V479-Q483 WeakPolarHBondContact O-CG 3.34Å; V479-Q483 PolarHBondContact O-N 3.28Å
480	S	94.7	Very high	91.5	Very high	17 Å²	17	57 Å²	57	12%	0.119	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-30.6	177.2	-54.7	0	0	0	0	114.6	S478 I484	S478-S480 PolarHBondContact O-N 2.92Å; S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.42Å; S480-I484 PolarHBondContact O-N 3.06Å
481	E	93.3	Very high	91	Very high	70 Å²	70	57.6 Å²	57.6	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-74.3	-34.9	175.3	-76	149.4	154.1	0	0	111	V477 S478 V479 K485	V477-E481 HydrophobicContact CG1-CB 4.5Å; S478-E481 WeakPolarHBondContact CA-OE2 3.04Å; S478-E481 VanDerWaalsContact CB-OE2 3.24Å; S478-E481 WeakPolarHBondContact CB-OE2 3.11Å; S478-E481 PolarHBondContact N-OE2 3.04Å; S478-E481 PolarHBondContact O-N 3.07Å; S478-E481 VanDerWaalsContact OG-CD 3.24Å; S478-E481 WeakPolarHBondContact OG-CG 3.29Å; S478-E481 PolarHBondContact OG-N 3.47Å; S478-E481 PolarHBondContact OG-OE2 3.44Å; V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 2.93Å; E481-K485 PolarHBondContact O-N 3.45Å; E481-K485 VanDerWaalsContact O-N 3.07Å
482	I	94.8	Very high	90.5	Very high	50 Å²	50	64.2 Å²	64.2	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-42.8	171.3	-62.8	-175.4	0	0	0	111	L292 L294 V477 S478 V479 K485 R486	L292-I482 HydrophobicContact CB-CD1 4Å; L292-I482 HydrophobicContact CD1-CD1 4.13Å; L292-I482 HydrophobicContact CD1-CG2 4.32Å; L292-I482 HydrophobicContact CD2-CG2 4.23Å; L294-I482 HydrophobicContact CD1-CD1 3.66Å; L294-I482 HydrophobicContact CD2-CD1 3.93Å; L294-I482 HydrophobicContact CG-CD1 3.79Å; V477-I482 HydrophobicContact CG1-CD1 4.39Å; V477-I482 HydrophobicContact CG1-CG1 4.03Å; S478-I482 PolarHBondContact O-N 3.02Å; V479-I482 PolarHBondContact O-N 3.47Å; I482-K485 PolarHBondContact O-N 3.46Å; I482-R486 WeakPolarHBondContact O-CB 3.38Å; I482-R486 PolarHBondContact O-N 3.48Å
483	Q	94.8	Very high	89.6	Confident	22 Å²	22	64 Å²	64	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-45.6	177	-76.2	168.7	-21.3	0	0	112.3	V479 R486 E487 L592 N593 I595	V479-Q483 HydrophobicContact CG1-CG 4.39Å; V479-Q483 WeakPolarHBondContact O-CG 3.34Å; V479-Q483 PolarHBondContact O-N 3.28Å; Q483-R486 PolarHBondContact O-N 3.46Å; Q483-E487 PolarHBondContact O-N 3.46Å; Q483-E487 VanDerWaalsContact O-N 3.12Å; Q483-L592 PolarHBondContact NE2-O 3.27Å; Q483-N593 PolarHBondContact NE2-O 2.91Å; Q483-I595 HydrophobicContact CB-CB 4.37Å; Q483-I595 HydrophobicContact CB-CG2 3.6Å
484	I	94	Very high	88.4	Confident	51 Å²	51	61.2 Å²	61.2	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-50.5	174.1	-70.3	164.9	0	0	0	110.3	S480 R486 E487 E488 I595	S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.42Å; S480-I484 PolarHBondContact O-N 3.06Å; I484-R486 VanDerWaalsContact C-N 3.34Å; I484-R486 PolarHBondContact O-N 3.11Å; I484-E487 WeakPolarHBondContact O-CB 3.43Å; I484-E487 PolarHBondContact O-N 2.84Å; I484-E487 VanDerWaalsContact O-N 3.11Å; I484-E488 HydrophobicContact CG2-CG 4.37Å; I484-E488 WeakPolarHBondContact CG2-OE1 3.25Å; I484-E488 WeakPolarHBondContact O-CG 3.2Å; I484-E488 PolarHBondContact O-N 2.99Å; I484-I595 HydrophobicContact CD1-CG1 4.22Å; I484-I595 HydrophobicContact CG1-CG1 4.24Å; I484-I595 HydrophobicContact CG1-CG2 3.87Å
485	K	92.3	Very high	87.1	Confident	121 Å²	121	65 Å²	65	53%	0.526	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-42.2	-179.1	-175.5	177	176.5	-178.8	0	112.2	E481 I482 E487 E488 D489	E481-K485 PolarHBondContact O-N 3.45Å; E481-K485 VanDerWaalsContact O-N 3.07Å; I482-K485 PolarHBondContact O-N 3.46Å; K485-E487 PolarHBondContact O-N 3.1Å; K485-E488 WeakPolarHBondContact O-CB 3.34Å; K485-E488 PolarHBondContact O-N 3.43Å; K485-E488 VanDerWaalsContact O-N 3.13Å; K485-D489 PolarHBondContact O-N 3.04Å
486	R	90.3	Very high	85.8	Confident	125 Å²	125	65.7 Å²	65.7	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-36.6	176.9	-171	-179.2	-176.9	-144.7	-0.3	111.6	I482 Q483 I484 L490 E500	I482-R486 WeakPolarHBondContact O-CB 3.38Å; I482-R486 PolarHBondContact O-N 3.48Å; Q483-R486 PolarHBondContact O-N 3.46Å; I484-R486 VanDerWaalsContact C-N 3.34Å; I484-R486 PolarHBondContact O-N 3.11Å; R486-L490 HydrophobicContact CG-CD1 4.1Å; R486-L490 WeakPolarHBondContact O-CB 3.28Å; R486-L490 WeakPolarHBondContact O-CD1 3.23Å; R486-L490 WeakPolarHBondContact O-CG 3.14Å; R486-L490 PolarHBondContact O-N 3.36Å; R486-E500 IonicContact CZ-OE1 2.69Å; R486-E500 IonicContact NH1-OE1 3.74Å; R486-E500 PolarHBondContact NH1-OE1 3.32Å; R486-E500 IonicContact NH2-OE1 3.06Å
487	E	89.9	Confident	84.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.019	35%	0.354	C	S	.	.	H	α-helix	trans	-67.7	-43.5	173.5	-165.3	64.3	-152.7	0	0	112	Q483 I484 K485 D489 L490 L491 Y596 F779 R782	Q483-E487 PolarHBondContact O-N 3.46Å; Q483-E487 VanDerWaalsContact O-N 3.12Å; I484-E487 WeakPolarHBondContact O-CB 3.43Å; I484-E487 PolarHBondContact O-N 2.84Å; I484-E487 VanDerWaalsContact O-N 3.11Å; K485-E487 PolarHBondContact O-N 3.1Å; E487-D489 VanDerWaalsContact C-N 3.32Å; E487-D489 PolarHBondContact O-N 2.89Å; E487-L490 PolarHBondContact O-N 3.09Å; E487-L491 HydrophobicContact CG-CD1 4.13Å; E487-L491 WeakPolarHBondContact O-CB 3.19Å; E487-L491 VanDerWaalsContact O-CG 3.28Å; E487-L491 WeakPolarHBondContact O-CG 3.39Å; E487-L491 PolarHBondContact O-N 3.42Å; E487-Y596 HydrophobicContact CB-CE2 3.91Å; E487-Y596 HydrophobicContact CG-CD2 4.37Å; E487-Y596 HydrophobicContact CG-CE2 3.85Å; E487-F779 HydrophobicContact CG-CB 4.44Å; E487-F779 WeakPolarHBondContact OE2-CD2 3.45Å; E487-R782 IonicContact OE1-CZ 2.73Å; E487-R782 IonicContact OE1-NE 3.84Å; E487-R782 PolarHBondContact OE1-NE 3.3Å; E487-R782 IonicContact OE1-NH2 2.73Å; E487-R782 IonicContact OE2-CZ 2.73Å; E487-R782 IonicContact OE2-NE 3.54Å; E487-R782 PolarHBondContact OE2-NE 3.47Å; E487-R782 IonicContact OE2-NH2 3.66Å; E487-R782 PolarHBondContact OE2-NH2 2.94Å
488	E	88.9	Confident	82.8	Confident	100 Å²	100	68.1 Å²	68.1	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-59.8	-41.3	175.2	-68	168.7	171.9	0	0	111.7	I484 K485 Q492	I484-E488 HydrophobicContact CG2-CG 4.37Å; I484-E488 WeakPolarHBondContact CG2-OE1 3.25Å; I484-E488 WeakPolarHBondContact O-CG 3.2Å; I484-E488 PolarHBondContact O-N 2.99Å; K485-E488 WeakPolarHBondContact O-CB 3.34Å; K485-E488 PolarHBondContact O-N 3.43Å; K485-E488 VanDerWaalsContact O-N 3.13Å; E488-Q492 WeakPolarHBondContact O-CG 3.48Å; E488-Q492 PolarHBondContact O-N 3.2Å; E488-Q492 PolarHBondContact O-NE2 3.32Å
489	D	87.4	Confident	81.5	Confident	67 Å²	67	73.5 Å²	73.5	36%	0.358	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-42.5	176.4	-63.5	-26.4	0	0	0	111.3	K485 E487 Q492 C493 L497	K485-D489 PolarHBondContact O-N 3.04Å; E487-D489 VanDerWaalsContact C-N 3.32Å; E487-D489 PolarHBondContact O-N 2.89Å; D489-Q492 PolarHBondContact O-N 2.71Å; D489-C493 PolarHBondContact O-N 3.02Å; D489-L497 WeakPolarHBondContact O-CD1 3.45Å
490	L	83.5	Confident	80.5	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.089	39%	0.393	C	S	.	.	H	α-helix	trans	-64.6	-37.7	177	-77.4	166	0	0	0	113	R486 E487 Q492 L497	R486-L490 HydrophobicContact CG-CD1 4.1Å; R486-L490 WeakPolarHBondContact O-CB 3.28Å; R486-L490 WeakPolarHBondContact O-CD1 3.23Å; R486-L490 WeakPolarHBondContact O-CG 3.14Å; R486-L490 PolarHBondContact O-N 3.36Å; E487-L490 PolarHBondContact O-N 3.09Å; L490-Q492 VanDerWaalsContact C-N 3.32Å; L490-L497 HydrophobicContact CD2-CB 3.82Å; L490-L497 HydrophobicContact CD2-CD1 3.98Å; L490-L497 HydrophobicContact CG-CD1 4.45Å
491	L	80.3	Confident	79.7	Confident	77 Å²	77	82.7 Å²	82.7	40%	0.403	43%	0.43	S	S	.	.	H	α-helix	trans	-72.7	-23.9	176.4	-69.9	170.7	0	0	0	113	E487 K778	E487-L491 HydrophobicContact CG-CD1 4.13Å; E487-L491 WeakPolarHBondContact O-CB 3.19Å; E487-L491 VanDerWaalsContact O-CG 3.28Å; E487-L491 WeakPolarHBondContact O-CG 3.39Å; E487-L491 PolarHBondContact O-N 3.42Å; L491-K778 HydrophobicContact CD1-CB 4.22Å; L491-K778 HydrophobicContact CD1-CD 4.17Å; L491-K778 HydrophobicContact CD2-CB 4.21Å
492	Q	81.1	Confident	79.4	Confident	143 Å²	143	81.8 Å²	81.8	67%	0.668	43%	0.429	S	S	*	.	H	α-helix	trans	-79.3	-34.6	175.3	-76.5	172	49.6	0	0	112.9	E488 D489 L490 P494	E488-Q492 WeakPolarHBondContact O-CG 3.48Å; E488-Q492 PolarHBondContact O-N 3.2Å; E488-Q492 PolarHBondContact O-NE2 3.32Å; D489-Q492 PolarHBondContact O-N 2.71Å; L490-Q492 VanDerWaalsContact C-N 3.32Å; Q492-P494 VanDerWaalsContact C-CD 3.43Å
493	C	72.9	Confident	79	Confident	58 Å²	58	85.7 Å²	85.7	39%	0.392	45%	0.446	S	S	.	.			trans	-128.8	55.3	-173.4	-68.1	0	0	0	0	113.4	D489 L495 S496 L497	D489-C493 PolarHBondContact O-N 3.02Å; C493-L495 VanDerWaalsContact C-N 3.3Å; C493-L495 PolarHBondContact O-N 3.01Å; C493-S496 PolarHBondContact O-N 2.94Å; C493-S496 VanDerWaalsContact O-N 3.15Å; C493-L497 HydrophobicContact CB-CD1 3.91Å; C493-L497 HydrophobicContact CB-CG 4.21Å; C493-L497 PolarHBondContact O-N 3.02Å
494	P	67.3	Low	78.8	Confident	89 Å²	89	92.3 Å²	92.3	58%	0.578	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.3	-171.3	25.2	-35.3	0	0	0	113.8	Q492	Q492-P494 VanDerWaalsContact C-CD 3.43Å
495	L	61.8	Low	78.7	Confident	141 Å²	141	91.1 Å²	91.1	74%	0.738	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.4	179.5	-64.7	174	0	0	0	113.6	C493	C493-L495 VanDerWaalsContact C-N 3.3Å; C493-L495 PolarHBondContact O-N 3.01Å
496	S	63.7	Low	78.8	Confident	96 Å²	96	87.9 Å²	87.9	67%	0.671	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-23.6	-170.4	-47.7	0	0	0	0	113.6	C493	C493-S496 PolarHBondContact O-N 2.94Å; C493-S496 VanDerWaalsContact O-N 3.15Å
497	L	61.6	Low	79.1	Confident	97 Å²	97	82.4 Å²	82.4	51%	0.508	45%	0.445	S	S	.	.	S	Bend	trans	-95.6	-8.6	-176.3	-68.5	168.2	0	0	0	113.7	D489 L490 C493	D489-L497 WeakPolarHBondContact O-CD1 3.45Å; L490-L497 HydrophobicContact CD2-CB 3.82Å; L490-L497 HydrophobicContact CD2-CD1 3.98Å; L490-L497 HydrophobicContact CG-CD1 4.45Å; C493-L497 HydrophobicContact CB-CD1 3.91Å; C493-L497 HydrophobicContact CB-CG 4.21Å; C493-L497 PolarHBondContact O-N 3.02Å
498	G	59.1	Low	79.3	Confident	49 Å²	49	82.6 Å²	82.6	51%	0.505	45%	0.446	S	S	.	.			trans	72.1	-172.6	176.6	0	0	0	0	0	114.3
499	E	64.8	Low	79.6	Confident	134 Å²	134	79.8 Å²	79.8	63%	0.626	43%	0.434	S	S	*	.	S	Bend	trans	-72.7	138.4	170.3	-64.3	-169.7	171.4	0	0	110.4	E501 K788	E499-E501 PolarHBondContact O-N 3.4Å; E499-K788 WeakPolarHBondContact OE1-CD 3.37Å; E499-K788 WeakPolarHBondContact OE1-CE 3.28Å; E499-K788 IonicContact OE1-NZ 3.5Å; E499-K788 PolarHBondContact OE1-NZ 3.37Å; E499-K788 IonicContact OE2-NZ 2.72Å; E499-K788 PolarHBondContact OE2-NZ 3.26Å
500	E	75.1	Confident	80	Confident	37 Å²	37	77 Å²	77	17%	0.173	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-73.8	116	176.6	-176.3	-177	-177.2	0	0	109.9	R486 V502 R782 R783	R486-E500 IonicContact CZ-OE1 2.69Å; R486-E500 IonicContact NH1-OE1 3.74Å; R486-E500 PolarHBondContact NH1-OE1 3.32Å; R486-E500 IonicContact NH2-OE1 3.06Å; E500-V502 HydrophobicContact CG-CG2 4.28Å; E500-V502 PolarHBondContact O-N 3.37Å; E500-R782 IonicContact OE2-CZ 2.92Å; E500-R782 IonicContact OE2-NH1 2.82Å; E500-R782 PolarHBondContact OE2-NH1 3.3Å; E500-R782 IonicContact OE2-NH2 2.61Å; E500-R782 PolarHBondContact OE2-NH2 3.45Å; E500-R783 IonicContact OE1-NH1 3.35Å; E500-R783 PolarHBondContact OE1-NH1 3.42Å; E500-R783 IonicContact OE2-NH1 2.89Å; E500-R783 PolarHBondContact OE2-NH1 2.58Å
501	E	77.4	Confident	80.7	Confident	189 Å²	189	76.3 Å²	76.3	88%	0.883	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-65.1	117.1	164.9	-72.1	-172.7	171.2	0	0	109.7	E499	E499-E501 PolarHBondContact O-N 3.4Å
502	V	85.9	Confident	81.3	Confident	51 Å²	51	75.8 Å²	75.8	31%	0.309	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-103.1	122.5	-178.3	171	0	0	0	0	109.6	E500 E504 E508 R783	E500-V502 HydrophobicContact CG-CG2 4.28Å; E500-V502 PolarHBondContact O-N 3.37Å; V502-E504 PolarHBondContact O-N 2.96Å; V502-E508 HydrophobicContact CG1-CG 3.79Å; V502-E508 WeakPolarHBondContact CG1-OE1 3.46Å; V502-R783 VanDerWaalsContact CG1-NH2 3.27Å; V502-R783 HydrophobicContact CG2-CG 4.44Å
503	E	87.9	Confident	81.9	Confident	131 Å²	131	70 Å²	70	61%	0.612	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-67.4	118.1	170.2	-170.3	-177.6	175.9	0	0	109.5	T505	E503-T505 HydrophobicContact CB-CG2 4.19Å; E503-T505 HydrophobicContact CG-CG2 3.76Å; E503-T505 PolarHBondContact O-N 3.49Å
504	E	89.1	Confident	83	Confident	161 Å²	161	67.7 Å²	67.7	75%	0.752	38%	0.377	S	S	*	.			trans	-72.9	62.5	177.8	-64.5	-168.1	136.2	0	0	111.7	V502 I509	V502-E504 PolarHBondContact O-N 2.96Å; E504-I509 HydrophobicContact CB-CD1 4.42Å; E504-I509 HydrophobicContact CB-CG1 4.38Å
505	T	93.3	Very high	84.3	Confident	26 Å²	26	65.5 Å²	65.5	16%	0.16	36%	0.36	C	S	.	.			trans	-68.5	154.9	175.8	75.6	0	0	0	0	110.6	E503 A507 E508 I509 N593	E503-T505 HydrophobicContact CB-CG2 4.19Å; E503-T505 HydrophobicContact CG-CG2 3.76Å; E503-T505 PolarHBondContact O-N 3.49Å; T505-A507 PolarHBondContact O-N 3.09Å; T505-A507 PolarHBondContact OG1-N 3.18Å; T505-E508 WeakPolarHBondContact O-CA 3.4Å; T505-E508 WeakPolarHBondContact O-CB 3.37Å; T505-E508 PolarHBondContact O-N 3.25Å; T505-E508 PolarHBondContact OG1-N 3.28Å; T505-I509 WeakPolarHBondContact O-CG1 3.38Å; T505-I509 PolarHBondContact O-N 3.32Å; T505-N593 PolarHBondContact OG1-OD1 2.89Å
506	P	94.1	Very high	85.8	Confident	54 Å²	54	64 Å²	64	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-54.5	-26.7	173.5	-28.8	36.5	0	0	0	114	L275 L510	L275-P506 HydrophobicContact CD2-CB 3.83Å; P506-L510 VanDerWaalsContact O-CB 3.29Å; P506-L510 WeakPolarHBondContact O-CB 3.42Å; P506-L510 PolarHBondContact O-N 3.1Å
507	A	95.7	Very high	87.3	Confident	10 Å²	10	61 Å²	61	8%	0.083	34%	0.338	C	S	.	.	H	α-helix	trans	-75.6	-35	174.6	0	0	0	0	0	112.8	L275 T505 Y511 N593	L275-A507 HydrophobicContact CD2-CB 4.2Å; T505-A507 PolarHBondContact O-N 3.09Å; T505-A507 PolarHBondContact OG1-N 3.18Å; A507-Y511 VanDerWaalsContact O-CB 3.27Å; A507-Y511 WeakPolarHBondContact O-CB 3.4Å; A507-Y511 PolarHBondContact O-N 2.88Å; A507-N593 HydrophobicContact CB-CB 4.1Å
508	E	95.4	Very high	88.8	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-51.4	173.5	-167.4	74.9	175.1	0	0	110.5	V502 T505 L510 Y511 V512 N593 Q597 R783	V502-E508 HydrophobicContact CG1-CG 3.79Å; V502-E508 WeakPolarHBondContact CG1-OE1 3.46Å; T505-E508 WeakPolarHBondContact O-CA 3.4Å; T505-E508 WeakPolarHBondContact O-CB 3.37Å; T505-E508 PolarHBondContact O-N 3.25Å; T505-E508 PolarHBondContact OG1-N 3.28Å; E508-L510 VanDerWaalsContact C-N 3.33Å; E508-L510 PolarHBondContact O-N 3Å; E508-Y511 PolarHBondContact O-N 2.75Å; E508-Y511 VanDerWaalsContact O-N 3.07Å; E508-V512 HydrophobicContact CG-CG2 4.4Å; E508-V512 WeakPolarHBondContact O-CG2 3.35Å; E508-V512 PolarHBondContact O-N 2.89Å; E508-N593 PolarHBondContact OE2-ND2 3.04Å; E508-Q597 PolarHBondContact OE2-NE2 3.41Å; E508-R783 VanDerWaalsContact CD-NH2 3.33Å; E508-R783 IonicContact OE1-CZ 2.67Å; E508-R783 VanDerWaalsContact OE1-CZ 3.27Å; E508-R783 IonicContact OE1-NE 2.72Å; E508-R783 PolarHBondContact OE1-NE 3.41Å; E508-R783 IonicContact OE1-NH2 3.31Å; E508-R783 PolarHBondContact OE1-NH2 3.44Å; E508-R783 IonicContact OE2-NH2 3.71Å; E508-R783 PolarHBondContact OE2-NH2 2.73Å
509	I	94.9	Very high	90.5	Very high	41 Å²	41	56.4 Å²	56.4	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-47.8	-179.2	-59.3	169.8	0	0	0	110.2	P232 P238 E504 T505 V512 G513	P232-I509 HydrophobicContact CG-CG2 4.46Å; P238-I509 HydrophobicContact CG-CG2 3.61Å; E504-I509 HydrophobicContact CB-CD1 4.42Å; E504-I509 HydrophobicContact CB-CG1 4.38Å; T505-I509 WeakPolarHBondContact O-CG1 3.38Å; T505-I509 PolarHBondContact O-N 3.32Å; I509-V512 PolarHBondContact O-N 3Å; I509-G513 PolarHBondContact O-N 2.9Å
510	L	96.1	Very high	92	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-41.1	176.3	-178	62.2	0	0	0	112.2	A240 F244 V271 L275 P506 E508 M514 L586	A240-L510 HydrophobicContact CB-CD1 3.96Å; F244-L510 HydrophobicContact CE2-CD1 4.43Å; V271-L510 HydrophobicContact CG2-CD2 4.21Å; L275-L510 HydrophobicContact CD1-CD2 4.15Å; P506-L510 VanDerWaalsContact O-CB 3.29Å; P506-L510 WeakPolarHBondContact O-CB 3.42Å; P506-L510 PolarHBondContact O-N 3.1Å; E508-L510 VanDerWaalsContact C-N 3.33Å; E508-L510 PolarHBondContact O-N 3Å; L510-M514 HydrophobicContact CD1-CG 4.11Å; L510-M514 HydrophobicContact CD1-SD 4.17Å; L510-M514 HydrophobicContact CG-CG 4.37Å; L510-M514 HydrophobicContact CG-SD 4.03Å; L510-M514 WeakPolarHBondContact O-CB 3.3Å; L510-M514 VanDerWaalsContact O-CG 3.22Å; L510-M514 WeakPolarHBondContact O-CG 3.42Å; L510-M514 PolarHBondContact O-N 2.79Å; L510-L586 HydrophobicContact CD2-CD2 4.04Å
511	Y	96.3	Very high	93.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-47.4	177.8	176.1	-93.7	0	0	0	112	A507 E508 G513 M514 L515 L518 L590 Q597 I600 N780 Y784	A507-Y511 VanDerWaalsContact O-CB 3.27Å; A507-Y511 WeakPolarHBondContact O-CB 3.4Å; A507-Y511 PolarHBondContact O-N 2.88Å; E508-Y511 PolarHBondContact O-N 2.75Å; E508-Y511 VanDerWaalsContact O-N 3.07Å; Y511-G513 PolarHBondContact O-N 3.39Å; Y511-M514 PolarHBondContact O-N 3.33Å; Y511-L515 HydrophobicContact CE1-CD1 4.25Å; Y511-L515 HydrophobicContact CE1-CD2 4.17Å; Y511-L515 WeakPolarHBondContact O-CB 3.31Å; Y511-L515 PolarHBondContact O-N 3.41Å; Y511-L518 HydrophobicContact CE2-CD2 4.47Å; Y511-L590 HydrophobicContact CD2-CD1 4.26Å; Y511-L590 HydrophobicContact CD2-CD2 3.89Å; Y511-L590 HydrophobicContact CG-CD2 4.21Å; Y511-Q597 HydrophobicContact CD1-CG 3.83Å; Y511-Q597 HydrophobicContact CD2-CB 3.75Å; Y511-Q597 HydrophobicContact CD2-CG 3.77Å; Y511-Q597 HydrophobicContact CE1-CG 3.74Å; Y511-Q597 HydrophobicContact CE2-CB 3.57Å; Y511-Q597 HydrophobicContact CE2-CG 3.64Å; Y511-Q597 HydrophobicContact CG-CB 4.3Å; Y511-Q597 HydrophobicContact CG-CG 3.84Å; Y511-I600 HydrophobicContact CE2-CG2 3.89Å; Y511-I600 WeakPolarHBondContact OH-CG2 3.23Å; Y511-N780 PolarHBondContact OH-OD1 2.86Å; Y511-Y784 HydrophobicContact CD1-CE1 4.25Å; Y511-Y784 HydrophobicContact CD1-CE2 4.38Å; Y511-Y784 AromaticContact CD1-CZ 3.86Å; Y511-Y784 HydrophobicContact CE1-CD2 4.31Å; Y511-Y784 HydrophobicContact CE1-CE1 4.21Å; Y511-Y784 AromaticContact CE1-CE2 3.57Å; Y511-Y784 HydrophobicContact CE1-CE2 3.57Å; Y511-Y784 AromaticContact CE1-CZ 3.49Å; Y511-Y784 VanDerWaalsContact CE1-CZ 3.49Å; Y511-Y784 WeakPolarHBondContact CE1-OH 3.43Å
512	V	94.4	Very high	94	Very high	65 Å²	65	44.7 Å²	44.7	39%	0.394	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-45.6	-179.8	171.7	0	0	0	0	110.6	E508 I509 M514 L515 P516 Y784	E508-V512 HydrophobicContact CG-CG2 4.4Å; E508-V512 WeakPolarHBondContact O-CG2 3.35Å; E508-V512 PolarHBondContact O-N 2.89Å; I509-V512 PolarHBondContact O-N 3Å; V512-M514 PolarHBondContact O-N 2.87Å; V512-L515 WeakPolarHBondContact O-CB 3.15Å; V512-L515 PolarHBondContact O-N 3.23Å; V512-P516 WeakPolarHBondContact O-CD 3.33Å; V512-Y784 HydrophobicContact CG2-CD1 3.76Å; V512-Y784 HydrophobicContact CG2-CE1 3.64Å
513	G	93.7	Very high	94.4	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-35.5	175	0	0	0	0	0	113.5	L241 I509 Y511	L241-G513 WeakPolarHBondContact CD2-O 3.43Å; I509-G513 PolarHBondContact O-N 2.9Å; Y511-G513 PolarHBondContact O-N 3.39Å
514	M	95.5	Very high	94.9	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-72.3	-28.1	175.2	-74.9	-176.4	79.7	0	0	113.7	L241 F244 L510 Y511 V512 S517 L518 Y521 L586	L241-M514 HydrophobicContact CD1-CG 4.06Å; F244-M514 HydrophobicContact CD1-CE 4.27Å; F244-M514 HydrophobicContact CD2-CE 4.17Å; F244-M514 HydrophobicContact CD2-CG 4.34Å; F244-M514 HydrophobicContact CD2-SD 4.18Å; F244-M514 HydrophobicContact CE1-CE 3.83Å; F244-M514 HydrophobicContact CE2-CE 3.72Å; F244-M514 HydrophobicContact CE2-CG 4.39Å; F244-M514 HydrophobicContact CE2-SD 3.65Å; F244-M514 HydrophobicContact CG-CE 4.45Å; F244-M514 HydrophobicContact CZ-CE 3.56Å; F244-M514 HydrophobicContact CZ-SD 4.02Å; L510-M514 HydrophobicContact CD1-CG 4.11Å; L510-M514 HydrophobicContact CD1-SD 4.17Å; L510-M514 HydrophobicContact CG-CG 4.37Å; L510-M514 HydrophobicContact CG-SD 4.03Å; L510-M514 WeakPolarHBondContact O-CB 3.3Å; L510-M514 VanDerWaalsContact O-CG 3.22Å; L510-M514 WeakPolarHBondContact O-CG 3.42Å; L510-M514 PolarHBondContact O-N 2.79Å; Y511-M514 PolarHBondContact O-N 3.33Å; V512-M514 PolarHBondContact O-N 2.87Å; M514-S517 CarbonylContact O-C 3.6Å; M514-S517 PolarHBondContact O-N 2.92Å; M514-L518 HydrophobicContact CB-CD1 4.08Å; M514-L518 HydrophobicContact CE-CD1 4.08Å; M514-L518 VanDerWaalsContact O-CA 3.29Å; M514-L518 WeakPolarHBondContact O-CA 3.32Å; M514-L518 WeakPolarHBondContact O-CB 3.4Å; M514-L518 PolarHBondContact O-N 2.82Å; M514-Y521 HydrophobicContact CB-CD2 4.23Å; M514-Y521 HydrophobicContact CB-CE2 4.35Å; M514-Y521 HydrophobicContact CE-CD2 4.09Å; M514-Y521 HydrophobicContact CE-CG 4.33Å; M514-Y521 HydrophobicContact CG-CD2 4.28Å; M514-Y521 HydrophobicContact CG-CE2 4.42Å; M514-L586 HydrophobicContact SD-CD2 4.42Å
515	L	93.8	Very high	95.3	Very high	43 Å²	43	32.3 Å²	32.3	23%	0.225	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54	-46.9	-167.6	-177.4	60.4	0	0	0	114.6	Y511 V512 S517 L518 I600 Y784	Y511-L515 HydrophobicContact CE1-CD1 4.25Å; Y511-L515 HydrophobicContact CE1-CD2 4.17Å; Y511-L515 WeakPolarHBondContact O-CB 3.31Å; Y511-L515 PolarHBondContact O-N 3.41Å; V512-L515 WeakPolarHBondContact O-CB 3.15Å; V512-L515 PolarHBondContact O-N 3.23Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 PolarHBondContact O-N 3.07Å; L515-L518 HydrophobicContact CD1-CD2 4.44Å; L515-L518 WeakPolarHBondContact O-CB 3.43Å; L515-L518 PolarHBondContact O-N 3.09Å; L515-I600 HydrophobicContact CD1-CD1 4.36Å; L515-Y784 HydrophobicContact CD2-CD2 3.75Å; L515-Y784 HydrophobicContact CD2-CE2 4.45Å; L515-Y784 HydrophobicContact CD2-CG 3.92Å
516	P	93.4	Very high	95.4	Very high	110 Å²	110	31.4 Å²	31.4	71%	0.714	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-62.4	-29.1	-176.8	-23.8	35.2	0	0	0	114.3	V512	V512-P516 WeakPolarHBondContact O-CD 3.33Å
517	S	94.9	Very high	95.5	Very high	32 Å²	32	32.6 Å²	32.6	22%	0.224	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-119.7	19.1	-178.3	-69.9	0	0	0	0	113	M514 L515 S519 Q520 Y521	M514-S517 CarbonylContact O-C 3.6Å; M514-S517 PolarHBondContact O-N 2.92Å; L515-S517 VanDerWaalsContact C-N 3.25Å; L515-S517 PolarHBondContact O-N 3.07Å; S517-S519 VanDerWaalsContact C-N 3.31Å; S517-S519 PolarHBondContact O-N 3.33Å; S517-Q520 WeakPolarHBondContact O-CA 3.41Å; S517-Q520 WeakPolarHBondContact O-CB 3.12Å; S517-Q520 PolarHBondContact O-N 3.37Å; S517-Y521 VanDerWaalsContact O-CD2 3.3Å; S517-Y521 WeakPolarHBondContact O-CD2 3.37Å; S517-Y521 PolarHBondContact O-N 3.08Å
518	L	94.6	Very high	95.4	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-41.9	-169.3	-173.2	61.4	0	0	0	113.4	Y511 M514 L515 Q520 Y521 V522 I600 V601	Y511-L518 HydrophobicContact CE2-CD2 4.47Å; M514-L518 HydrophobicContact CB-CD1 4.08Å; M514-L518 HydrophobicContact CE-CD1 4.08Å; M514-L518 VanDerWaalsContact O-CA 3.29Å; M514-L518 WeakPolarHBondContact O-CA 3.32Å; M514-L518 WeakPolarHBondContact O-CB 3.4Å; M514-L518 PolarHBondContact O-N 2.82Å; L515-L518 HydrophobicContact CD1-CD2 4.44Å; L515-L518 WeakPolarHBondContact O-CB 3.43Å; L515-L518 PolarHBondContact O-N 3.09Å; L518-Q520 VanDerWaalsContact C-N 3.31Å; L518-Q520 PolarHBondContact O-N 3.34Å; L518-Y521 PolarHBondContact O-N 2.99Å; L518-V522 WeakPolarHBondContact O-CG2 3.4Å; L518-V522 PolarHBondContact O-N 3.41Å; L518-I600 HydrophobicContact CD2-CD1 4.21Å; L518-I600 HydrophobicContact CD2-CG1 4.07Å; L518-I600 HydrophobicContact CD2-CG2 3.95Å; L518-V601 HydrophobicContact CD1-CG2 4.04Å; L518-V601 HydrophobicContact CD2-CG2 4Å; L518-V601 HydrophobicContact CG-CG2 4.42Å
519	S	94.6	Very high	95.4	Very high	46 Å²	46	32 Å²	32	32%	0.322	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-39.6	175.7	60.7	0	0	0	0	112	S517 I523	S517-S519 VanDerWaalsContact C-N 3.31Å; S517-S519 PolarHBondContact O-N 3.33Å; S519-I523 WeakPolarHBondContact O-CB 3.34Å; S519-I523 WeakPolarHBondContact O-CD1 3.38Å; S519-I523 WeakPolarHBondContact O-CG1 3.19Å; S519-I523 PolarHBondContact O-N 2.97Å
520	Q	96	Very high	95.4	Very high	98 Å²	98	33.2 Å²	33.2	46%	0.458	19%	0.188	S	C	.	.	H	α-helix	trans	-68.5	-46	179.3	-50.7	-173.5	26.2	0	0	111.2	T248 S517 L518 V522 I523 A524	T248-Q520 HydrophobicContact CG2-CB 4.05Å; S517-Q520 WeakPolarHBondContact O-CA 3.41Å; S517-Q520 WeakPolarHBondContact O-CB 3.12Å; S517-Q520 PolarHBondContact O-N 3.37Å; L518-Q520 VanDerWaalsContact C-N 3.31Å; L518-Q520 PolarHBondContact O-N 3.34Å; Q520-V522 PolarHBondContact O-N 3.48Å; Q520-I523 PolarHBondContact O-N 2.81Å; Q520-A524 VanDerWaalsContact O-CB 3.3Å; Q520-A524 WeakPolarHBondContact O-CB 3.44Å; Q520-A524 PolarHBondContact O-N 2.81Å
521	Y	97.3	Very high	95.2	Very high	12 Å²	12	33 Å²	33	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.4	-60.7	-47.3	0	0	0	111.6	L241 F244 T245 T248 M514 S517 L518 A524 L525	L241-Y521 HydrophobicContact CD1-CE2 3.86Å; L241-Y521 WeakPolarHBondContact CD1-OH 3.46Å; F244-Y521 HydrophobicContact CB-CD1 3.66Å; F244-Y521 HydrophobicContact CB-CE1 3.62Å; F244-Y521 HydrophobicContact CB-CG 4.31Å; F244-Y521 HydrophobicContact CD1-CD1 4.06Å; F244-Y521 HydrophobicContact CD1-CG 4.18Å; F244-Y521 HydrophobicContact CG-CD1 4.17Å; F244-Y521 HydrophobicContact CG-CG 4.4Å; T245-Y521 PolarHBondContact OG1-OH 3.43Å; T248-Y521 HydrophobicContact CG2-CD1 3.41Å; T248-Y521 VanDerWaalsContact CG2-CD1 3.41Å; T248-Y521 HydrophobicContact CG2-CE1 3.75Å; T248-Y521 HydrophobicContact CG2-CG 4.41Å; M514-Y521 HydrophobicContact CB-CD2 4.23Å; M514-Y521 HydrophobicContact CB-CE2 4.35Å; M514-Y521 HydrophobicContact CE-CD2 4.09Å; M514-Y521 HydrophobicContact CE-CG 4.33Å; M514-Y521 HydrophobicContact CG-CD2 4.28Å; M514-Y521 HydrophobicContact CG-CE2 4.42Å; S517-Y521 VanDerWaalsContact O-CD2 3.3Å; S517-Y521 WeakPolarHBondContact O-CD2 3.37Å; S517-Y521 PolarHBondContact O-N 3.08Å; L518-Y521 PolarHBondContact O-N 2.99Å; Y521-A524 PolarHBondContact O-N 2.97Å; Y521-L525 WeakPolarHBondContact O-CG 3.02Å; Y521-L525 PolarHBondContact O-N 2.72Å; Y521-L525 VanDerWaalsContact O-N 3.1Å
522	V	96.6	Very high	95.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176.9	170.9	0	0	0	0	111.7	L518 Q520 L526 V601 H604 L605	L518-V522 WeakPolarHBondContact O-CG2 3.4Å; L518-V522 PolarHBondContact O-N 3.41Å; Q520-V522 PolarHBondContact O-N 3.48Å; V522-L526 HydrophobicContact CG1-CD1 4.17Å; V522-L526 WeakPolarHBondContact O-CG 3.31Å; V522-L526 PolarHBondContact O-N 2.82Å; V522-L526 VanDerWaalsContact O-N 3.14Å; V522-V601 HydrophobicContact CG2-CG1 4.38Å; V522-H604 HydrophobicContact CB-CB 4.23Å; V522-H604 HydrophobicContact CG1-CB 4.04Å; V522-H604 HydrophobicContact CG2-CB 4.2Å; V522-L605 HydrophobicContact CG1-CB 4.44Å; V522-L605 HydrophobicContact CG1-CD2 3.71Å; V522-L605 HydrophobicContact CG1-CG 3.85Å
523	I	95.6	Very high	94.8	Very high	77 Å²	77	29.9 Å²	29.9	40%	0.395	17%	0.169	S	C	.	.	H	α-helix	trans	-64.1	-41.1	178.5	-71.6	164.7	0	0	0	111.3	S519 Q520 L526 K527 A608	S519-I523 WeakPolarHBondContact O-CB 3.34Å; S519-I523 WeakPolarHBondContact O-CD1 3.38Å; S519-I523 WeakPolarHBondContact O-CG1 3.19Å; S519-I523 PolarHBondContact O-N 2.97Å; Q520-I523 PolarHBondContact O-N 2.81Å; I523-L526 PolarHBondContact O-N 3.28Å; I523-K527 HydrophobicContact CG2-CD 4.21Å; I523-K527 HydrophobicContact CG2-CG 4.36Å; I523-K527 WeakPolarHBondContact O-CG 3.42Å; I523-K527 PolarHBondContact O-N 2.75Å; I523-A608 HydrophobicContact CG1-CB 3.81Å
524	A	96.6	Very high	94.1	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-46.9	179.4	0	0	0	0	0	112	V247 T248 C251 Q520 Y521 L526 K527 L528	V247-A524 HydrophobicContact CG1-CB 3.69Å; T248-A524 HydrophobicContact CG2-CB 4.04Å; C251-A524 HydrophobicContact CB-CB 3.72Å; C251-A524 PolarHBondContact SG-O 3.06Å; Q520-A524 VanDerWaalsContact O-CB 3.3Å; Q520-A524 WeakPolarHBondContact O-CB 3.44Å; Q520-A524 PolarHBondContact O-N 2.81Å; Y521-A524 PolarHBondContact O-N 2.97Å; A524-L526 VanDerWaalsContact C-N 3.31Å; A524-L526 PolarHBondContact O-N 3.17Å; A524-K527 WeakPolarHBondContact O-CB 3.24Å; A524-K527 PolarHBondContact O-N 3.34Å; A524-L528 PolarHBondContact O-N 3.15Å
525	L	97.8	Very high	93.2	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-40.5	174	-70.7	-178.9	0	0	0	112.5	F244 V247 L264 Y521 L528 L529 I579 L582 L583	F244-L525 HydrophobicContact CE1-CD1 4.13Å; V247-L525 HydrophobicContact CG1-CD2 4.32Å; L264-L525 HydrophobicContact CD2-CD2 3.91Å; Y521-L525 WeakPolarHBondContact O-CG 3.02Å; Y521-L525 PolarHBondContact O-N 2.72Å; Y521-L525 VanDerWaalsContact O-N 3.1Å; L525-L528 PolarHBondContact O-N 3.33Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 3.08Å; L525-I579 HydrophobicContact CB-CG2 4.19Å; L525-I579 HydrophobicContact CD2-CG1 4.3Å; L525-I579 HydrophobicContact CD2-CG2 4.47Å; L525-L582 HydrophobicContact CD1-CD2 3.94Å; L525-L582 HydrophobicContact CD2-CD2 3.87Å; L525-L583 HydrophobicContact CD1-CD2 3.57Å; L525-L583 HydrophobicContact CD1-CG 4.12Å
526	L	96.4	Very high	92.3	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-72.8	-33.2	178.4	-65	175.8	0	0	0	113	V522 I523 A524 L529 L530 L583 L605 A608 C610 L613	V522-L526 HydrophobicContact CG1-CD1 4.17Å; V522-L526 WeakPolarHBondContact O-CG 3.31Å; V522-L526 PolarHBondContact O-N 2.82Å; V522-L526 VanDerWaalsContact O-N 3.14Å; I523-L526 PolarHBondContact O-N 3.28Å; A524-L526 VanDerWaalsContact C-N 3.31Å; A524-L526 PolarHBondContact O-N 3.17Å; L526-L529 HydrophobicContact CD2-CD2 4.33Å; L526-L529 PolarHBondContact O-N 3.47Å; L526-L530 WeakPolarHBondContact O-CB 3.24Å; L526-L530 PolarHBondContact O-N 2.86Å; L526-L583 HydrophobicContact CD2-CD1 4.39Å; L526-L605 HydrophobicContact CD1-CD2 4.08Å; L526-L605 HydrophobicContact CD2-CD2 4.01Å; L526-L605 HydrophobicContact CG-CD2 4.23Å; L526-A608 HydrophobicContact CD1-CB 3.53Å; L526-A608 WeakPolarHBondContact CD1-O 3.47Å; L526-C610 HydrophobicContact CD1-CB 3.93Å; L526-C610 HydrophobicContact CD2-CB 3.87Å; L526-L613 HydrophobicContact CB-CD2 4.2Å; L526-L613 HydrophobicContact CD2-CD2 4.02Å
527	K	94.9	Very high	90.8	Very high	80 Å²	80	34.5 Å²	34.5	35%	0.348	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-47.2	170.8	-79	174.6	168.6	-177.7	0	111	C251 I523 A524 L530 A531 I543	C251-K527 HydrophobicContact CB-CD 4.09Å; C251-K527 PolarHBondContact O-NZ 2.75Å; I523-K527 HydrophobicContact CG2-CD 4.21Å; I523-K527 HydrophobicContact CG2-CG 4.36Å; I523-K527 WeakPolarHBondContact O-CG 3.42Å; I523-K527 PolarHBondContact O-N 2.75Å; A524-K527 WeakPolarHBondContact O-CB 3.24Å; A524-K527 PolarHBondContact O-N 3.34Å; K527-L530 PolarHBondContact O-N 3.26Å; K527-A531 PolarHBondContact O-N 3.25Å; K527-I543 HydrophobicContact CB-CD1 4.05Å
528	L	95.5	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-43.5	177.4	-70.7	162.2	0	0	0	111.7	V247 F250 M260 L264 A524 L525 L530 A531 A532 I543 I545 I579	V247-L528 HydrophobicContact CG1-CD1 3.77Å; F250-L528 HydrophobicContact CD1-CD2 4Å; F250-L528 HydrophobicContact CE1-CD2 3.73Å; M260-L528 HydrophobicContact CB-CD2 4.44Å; M260-L528 HydrophobicContact CG-CD2 4.04Å; M260-L528 HydrophobicContact SD-CD1 4.26Å; L264-L528 HydrophobicContact CD1-CD1 4.27Å; L264-L528 HydrophobicContact CD2-CD1 4.28Å; A524-L528 PolarHBondContact O-N 3.15Å; L525-L528 PolarHBondContact O-N 3.33Å; L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 2.61Å; L528-A531 PolarHBondContact O-N 3.21Å; L528-A532 WeakPolarHBondContact O-CB 3.49Å; L528-A532 PolarHBondContact O-N 2.89Å; L528-I543 HydrophobicContact CD2-CD1 3.8Å; L528-I543 HydrophobicContact CG-CD1 4.16Å; L528-I545 HydrophobicContact CD2-CG2 3.68Å; L528-I579 HydrophobicContact CB-CD1 3.52Å
529	L	95.5	Very high	86.5	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-35.2	174.9	-176.8	62.9	0	0	0	112.4	L525 L526 A533 V576 I579 L613 L672	L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 3.08Å; L526-L529 HydrophobicContact CD2-CD2 4.33Å; L526-L529 PolarHBondContact O-N 3.47Å; L529-A533 WeakPolarHBondContact O-CB 3.45Å; L529-A533 PolarHBondContact O-N 3.45Å; L529-A533 VanDerWaalsContact O-N 3.09Å; L529-V576 HydrophobicContact CD1-CB 4.38Å; L529-V576 HydrophobicContact CD1-CG1 4.01Å; L529-V576 HydrophobicContact CD1-CG2 4.16Å; L529-I579 HydrophobicContact CB-CD1 4.26Å; L529-I579 HydrophobicContact CB-CG2 4.19Å; L529-L613 HydrophobicContact CB-CD2 4.28Å; L529-L613 HydrophobicContact CD2-CD2 3.96Å; L529-L613 HydrophobicContact CG-CD2 4.16Å; L529-L672 HydrophobicContact CD1-CD2 4.49Å; L529-L672 HydrophobicContact CD2-CD2 4.03Å
530	L	93.9	Very high	84.4	Confident	67 Å²	67	49.4 Å²	49.4	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-70.6	-43.9	174.3	174.4	59.4	0	0	0	112.1	L526 K527 L528 A532 A533 S536 L613	L526-L530 WeakPolarHBondContact O-CB 3.24Å; L526-L530 PolarHBondContact O-N 2.86Å; K527-L530 PolarHBondContact O-N 3.26Å; L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 2.61Å; L530-A532 VanDerWaalsContact C-N 3.31Å; L530-A532 PolarHBondContact O-N 3.26Å; L530-A533 WeakPolarHBondContact O-CB 3.28Å; L530-A533 PolarHBondContact O-N 3.27Å; L530-S536 WeakPolarHBondContact O-CB 3.46Å; L530-S536 PolarHBondContact O-OG 2.87Å; L530-L613 HydrophobicContact CB-CD1 3.84Å; L530-L613 HydrophobicContact CB-CD2 4.4Å; L530-L613 HydrophobicContact CD1-CD1 3.74Å; L530-L613 HydrophobicContact CG-CD1 4.32Å
531	A	92.3	Very high	82.6	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-35.3	177.1	0	0	0	0	0	112.4	K527 L528 I543 I545	K527-A531 PolarHBondContact O-N 3.25Å; L528-A531 PolarHBondContact O-N 3.21Å; A531-I543 HydrophobicContact CB-CD1 4.25Å; A531-I543 HydrophobicContact CB-CG1 3.98Å; A531-I545 HydrophobicContact CB-CD1 4.04Å; A531-I545 HydrophobicContact CB-CG1 4.29Å; A531-I545 HydrophobicContact CB-CG2 3.76Å
532	A	92.9	Very high	81.2	Confident	1 Å²	1	51 Å²	51	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-83.4	-10.3	176.7	0	0	0	0	0	114.1	L528 L530 I545 K572 I575 V576	L528-A532 WeakPolarHBondContact O-CB 3.49Å; L528-A532 PolarHBondContact O-N 2.89Å; L530-A532 VanDerWaalsContact C-N 3.31Å; L530-A532 PolarHBondContact O-N 3.26Å; A532-I545 HydrophobicContact CB-CD1 3.81Å; A532-K572 HydrophobicContact CB-CB 4.32Å; A532-K572 HydrophobicContact CB-CG 4.48Å; A532-I575 HydrophobicContact CB-CB 4.01Å; A532-I575 HydrophobicContact CB-CG2 3.57Å; A532-V576 HydrophobicContact CB-CG2 3.77Å
533	A	88.3	Confident	80.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	28%	0.282	C	S	.	.	S	Bend	trans	-65.3	131.8	-179.5	0	0	0	0	0	111.3	L529 L530 T535 S536 F617	L529-A533 WeakPolarHBondContact O-CB 3.45Å; L529-A533 PolarHBondContact O-N 3.45Å; L529-A533 VanDerWaalsContact O-N 3.09Å; L530-A533 WeakPolarHBondContact O-CB 3.28Å; L530-A533 PolarHBondContact O-N 3.27Å; A533-T535 PolarHBondContact O-N 2.76Å; A533-S536 WeakPolarHBondContact O-CB 3.45Å; A533-S536 PolarHBondContact O-N 2.93Å; A533-F617 HydrophobicContact CB-CD2 4.15Å
534	P	80.4	Confident	80.2	Confident	62 Å²	62	50.7 Å²	50.7	40%	0.403	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.8	-176.8	-19.9	29.6	0	0	0	114.7	Y625	P534-Y625 HydrophobicContact CG-CD2 3.82Å; P534-Y625 HydrophobicContact CG-CE2 3.58Å
535	T	76.1	Confident	79.9	Confident	40 Å²	40	51 Å²	51	25%	0.245	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.9	177.6	61.3	0	0	0	0	113.8	A533 K616 Q620	A533-T535 PolarHBondContact O-N 2.76Å; T535-K616 WeakPolarHBondContact OG1-CE 3.39Å; T535-Q620 HydrophobicContact CG2-CB 3.92Å; T535-Q620 HydrophobicContact CG2-CG 4.41Å
536	S	73.8	Confident	79.5	Confident	19 Å²	19	52.2 Å²	52.2	13%	0.133	29%	0.288	C	S	.	.			trans	-82	138.1	178.4	-67.9	0	0	0	0	111.1	L530 A533 K616	L530-S536 WeakPolarHBondContact O-CB 3.46Å; L530-S536 PolarHBondContact O-OG 2.87Å; A533-S536 WeakPolarHBondContact O-CB 3.45Å; A533-S536 PolarHBondContact O-N 2.93Å; S536-K616 PolarHBondContact OG-NZ 3.21Å
537	K	63.7	Low	79	Confident	160 Å²	160	52 Å²	52	70%	0.696	29%	0.287	S	S	*	.			trans	-95.2	142	179.8	-65.6	-177.5	178	-178	0	107.9	K539 T540	K537-K539 PolarHBondContact O-N 3.22Å; K537-T540 PolarHBondContact N-OG1 2.92Å; K537-T540 PolarHBondContact O-N 2.86Å; K537-T540 PolarHBondContact O-OG1 3.41Å
538	A	54.4	Low	78.5	Confident	96 Å²	96	48.3 Å²	48.3	79%	0.793	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.5	179.7	0	0	0	0	0	115.3
539	K	44.6	Very low	78.2	Confident	214 Å²	214	48.3 Å²	48.3	93%	0.93	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.4	173.1	-68.1	-168.6	176.5	-173.4	0	114.9	K537	K537-K539 PolarHBondContact O-N 3.22Å
540	T	49.9	Very low	77.9	Confident	86 Å²	86	49.5 Å²	49.5	53%	0.528	28%	0.277	S	S	.	.	S	Bend	trans	-109.8	-1.3	-179.4	55.3	0	0	0	0	113.6	K537 S542	K537-T540 PolarHBondContact N-OG1 2.92Å; K537-T540 PolarHBondContact O-N 2.86Å; K537-T540 PolarHBondContact O-OG1 3.41Å; T540-S542 PolarHBondContact O-N 3.32Å
541	D	58.8	Low	77.7	Confident	56 Å²	56	47.6 Å²	47.6	30%	0.299	27%	0.269	S	S	.	.			trans	-86.2	101.2	-173.4	-59.8	-26.5	0	0	0	109.8	I543	D541-I543 PolarHBondContact O-N 2.62Å
542	S	67.5	Low	77.3	Confident	87 Å²	87	54.1 Å²	54.1	61%	0.608	30%	0.299	S	S	*	.	S	Bend	trans	-71.5	-6	178.2	57.9	0	0	0	0	114.8	T540	T540-S542 PolarHBondContact O-N 3.32Å
543	I	85.1	Confident	76.9	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.036	34%	0.336	C	S	.	.	S	Bend	trans	-143.6	138.4	-178.3	54.9	178.2	0	0	0	109.1	F250 M253 K527 L528 A531 D541 I545	F250-I543 HydrophobicContact CE1-CB 4.22Å; F250-I543 HydrophobicContact CE1-CD1 4.23Å; M253-I543 HydrophobicContact SD-CG2 4.04Å; K527-I543 HydrophobicContact CB-CD1 4.05Å; L528-I543 HydrophobicContact CD2-CD1 3.8Å; L528-I543 HydrophobicContact CG-CD1 4.16Å; A531-I543 HydrophobicContact CB-CD1 4.25Å; A531-I543 HydrophobicContact CB-CG1 3.98Å; D541-I543 PolarHBondContact O-N 2.62Å; I543-I545 HydrophobicContact CD1-CG2 4.27Å; I543-I545 HydrophobicContact CG1-CG2 4.3Å; I543-I545 PolarHBondContact O-N 3.03Å
544	N	86.6	Confident	76.8	Confident	68 Å²	68	67.7 Å²	67.7	36%	0.364	36%	0.363	S	S	.	.			trans	-91.3	93.5	177.9	178.2	20.3	0	0	0	111	F250 L546	F250-N544 WeakPolarHBondContact CZ-O 3.29Å; N544-L546 PolarHBondContact O-N 3.27Å; N544-L546 PolarHBondContact OD1-N 3.24Å; N544-L546 VanDerWaalsContact OD1-N 3.09Å
545	I	90.3	Very high	77	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.041	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-9	178	60.7	168.8	0	0	0	114.5	F250 L528 A531 A532 I543 H571 K572 I575	F250-I545 HydrophobicContact CE1-CG2 4.34Å; L528-I545 HydrophobicContact CD2-CG2 3.68Å; A531-I545 HydrophobicContact CB-CD1 4.04Å; A531-I545 HydrophobicContact CB-CG1 4.29Å; A531-I545 HydrophobicContact CB-CG2 3.76Å; A532-I545 HydrophobicContact CB-CD1 3.81Å; I543-I545 HydrophobicContact CD1-CG2 4.27Å; I543-I545 HydrophobicContact CG1-CG2 4.3Å; I543-I545 PolarHBondContact O-N 3.03Å; I545-H571 PolarHBondContact O-CE1 3.29Å; I545-H571 VanDerWaalsContact O-CE1 3.31Å; I545-H571 PolarHBondContact O-NE2 3.3Å; I545-K572 HydrophobicContact CD1-CG 4.09Å; I545-I575 HydrophobicContact CB-CD1 4.29Å; I545-I575 HydrophobicContact CD1-CD1 4.41Å
546	L	89.2	Confident	77.5	Confident	30 Å²	30	72.3 Å²	72.3	16%	0.157	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.5	-171	-56.3	179.1	0	0	0	114.2	N544 D548 V549 L550 V568	N544-L546 PolarHBondContact O-N 3.27Å; N544-L546 PolarHBondContact OD1-N 3.24Å; N544-L546 VanDerWaalsContact OD1-N 3.09Å; L546-D548 PolarHBondContact O-N 2.67Å; L546-D548 VanDerWaalsContact O-N 3.11Å; L546-V549 PolarHBondContact O-N 2.92Å; L546-L550 HydrophobicContact CB-CD1 4.32Å; L546-L550 HydrophobicContact CB-CG 4.22Å; L546-L550 WeakPolarHBondContact O-CG 3.26Å; L546-L550 PolarHBondContact O-N 3.03Å; L546-L550 VanDerWaalsContact O-N 3.12Å; L546-V568 HydrophobicContact CD1-CG1 3.75Å; L546-V568 HydrophobicContact CD1-CG2 4.38Å; L546-V568 HydrophobicContact CD2-CG1 3.97Å
547	A	85.6	Confident	78.2	Confident	3 Å²	3	74.5 Å²	74.5	3%	0.025	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.2	-177	0	0	0	0	0	114.1	I185 S186 L187	I185-A547 HydrophobicContact CB-CB 4.17Å; I185-A547 HydrophobicContact CG2-CB 3.8Å; S186-A547 CarbonylContact C-O 3.45Å; L187-A547 WeakPolarHBondContact CA-O 3.49Å; L187-A547 PolarHBondContact N-O 3.2Å
548	D	83.6	Confident	79.3	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	14.8	179.3	64.4	-8.1	0	0	0	114.1	S64 P259 K261 L546 H571	S64-D548 PolarHBondContact OG-O 2.82Å; S64-D548 VanDerWaalsContact OG-O 3.09Å; P259-D548 HydrophobicContact CB-CB 3.66Å; K261-D548 WeakPolarHBondContact CB-OD2 3.19Å; K261-D548 PolarHBondContact N-OD2 3.26Å; L546-D548 PolarHBondContact O-N 2.67Å; L546-D548 VanDerWaalsContact O-N 3.11Å; D548-H571 IonicContact OD1-CE1 2.76Å; D548-H571 PolarHBondContact OD1-CE1 2.88Å; D548-H571 IonicContact OD1-ND1 3.55Å; D548-H571 PolarHBondContact OD1-ND1 3.37Å; D548-H571 IonicContact OD1-NE2 3.88Å; D548-H571 IonicContact OD2-CE1 3.75Å
549	V	89.4	Confident	80.8	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-34.8	173.4	-178.4	0	0	0	0	111.4	T66 L546 L564 D567 V568 H571	T66-V549 WeakPolarHBondContact CB-O 3.43Å; T66-V549 PolarHBondContact OG1-O 3.14Å; L546-V549 PolarHBondContact O-N 2.92Å; V549-L564 HydrophobicContact CG1-CD1 3.97Å; V549-D567 HydrophobicContact CG1-CB 4.2Å; V549-V568 HydrophobicContact CG1-CG2 3.89Å; V549-H571 HydrophobicContact CG2-CB 3.68Å; V549-H571 WeakPolarHBondContact CG2-ND1 3.35Å
550	L	89.8	Confident	82.8	Confident	30 Å²	30	64.5 Å²	64.5	16%	0.157	35%	0.347	C	S	.	.			trans	-68.7	127.3	-176.6	-65.2	177.9	0	0	0	111.5	S186 L187 L546 M554	S186-L550 WeakPolarHBondContact CA-O 3.38Å; S186-L550 WeakPolarHBondContact CB-O 3.31Å; L187-L550 PolarHBondContact N-O 2.91Å; L546-L550 HydrophobicContact CB-CD1 4.32Å; L546-L550 HydrophobicContact CB-CG 4.22Å; L546-L550 WeakPolarHBondContact O-CG 3.26Å; L546-L550 PolarHBondContact O-N 3.03Å; L546-L550 VanDerWaalsContact O-N 3.12Å; L550-M554 HydrophobicContact CD2-CE 4.18Å
551	P	89	Confident	84.7	Confident	26 Å²	26	63.4 Å²	63.4	17%	0.169	34%	0.343	C	S	.	.			trans	-68.3	167.1	172.9	29.9	-35.5	0	0	0	111.6	T66 S186 E553 L564	T66-P551 HydrophobicContact CG2-CB 3.77Å; T66-P551 HydrophobicContact CG2-CG 4.39Å; S186-P551 WeakPolarHBondContact CB-O 3.43Å; P551-E553 WeakPolarHBondContact CB-O 3.44Å; P551-E553 WeakPolarHBondContact CG-O 3.39Å; P551-L564 HydrophobicContact CG-CD2 4.48Å
552	E	84.5	Confident	86.2	Confident	142 Å²	142	64.5 Å²	64.5	66%	0.664	35%	0.347	S	S	*	.	S	Bend	trans	-66.2	-46.7	169.9	-61.8	-159.3	116.2	0	0	111.9	A188	A188-E552 VanDerWaalsContact CB-CD 3.42Å; A188-E552 HydrophobicContact CB-CG 3.57Å; A188-E552 WeakPolarHBondContact CB-OE1 3.46Å
553	E	85.4	Confident	87.2	Confident	171 Å²	171	61.9 Å²	61.9	80%	0.799	33%	0.325	S	S	*	.	S	Bend	trans	-102.7	127.2	175.3	-62.5	-166.6	162.6	0	0	110.3	P551	P551-E553 WeakPolarHBondContact CB-O 3.44Å; P551-E553 WeakPolarHBondContact CG-O 3.39Å
554	M	85.9	Confident	87.5	Confident	115 Å²	115	62.6 Å²	62.6	57%	0.567	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-69.9	140.1	179.8	-74.4	-72.3	173.3	0	0	111.2	L550 I556	L550-M554 HydrophobicContact CD2-CE 4.18Å; M554-I556 PolarHBondContact O-N 2.96Å
555	P	83.8	Confident	87.8	Confident	36 Å²	36	60.9 Å²	60.9	23%	0.234	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-63.9	125	-175	24.8	-34.1	0	0	0	112.3	Q560 L564	P555-Q560 HydrophobicContact CB-CB 3.46Å; P555-Q560 VanDerWaalsContact CB-CB 3.46Å; P555-L564 HydrophobicContact CG-CB 4.46Å; P555-L564 HydrophobicContact CG-CD2 3.85Å
556	I	85.7	Confident	87.8	Confident	164 Å²	164	61.9 Å²	61.9	84%	0.841	33%	0.332	S	S	*	.			trans	-82.8	-21.7	178.8	56.7	170.3	0	0	0	113.4	M554	M554-I556 PolarHBondContact O-N 2.96Å
557	T	88.9	Confident	88	Confident	64 Å²	64	60.5 Å²	60.5	39%	0.393	33%	0.325	S	S	.	.	S	Bend	trans	-94.8	147	179.1	69.8	0	0	0	0	111.7	L559 Q560 S561	T557-L559 PolarHBondContact O-N 3.06Å; T557-Q560 PolarHBondContact O-N 3.27Å; T557-Q560 VanDerWaalsContact OG1-CB 3.32Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.22Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.24Å; T557-Q560 PolarHBondContact OG1-N 2.96Å; T557-Q560 PolarHBondContact OG1-OE1 2.88Å; T557-S561 WeakPolarHBondContact O-CB 3.4Å; T557-S561 PolarHBondContact O-N 3.35Å
558	V	86.9	Confident	88.4	Confident	116 Å²	116	61.5 Å²	61.5	70%	0.703	33%	0.331	S	S	*	.	H	α-helix	trans	-55.5	-41.2	175.4	179.3	0	0	0	0	110.9	S561 M562	V558-S561 WeakPolarHBondContact O-CB 3.47Å; V558-S561 PolarHBondContact O-N 2.89Å; V558-M562 HydrophobicContact CG1-SD 4.12Å; V558-M562 WeakPolarHBondContact O-CG 3.43Å; V558-M562 PolarHBondContact O-N 3.23Å
559	L	85.8	Confident	88.9	Confident	45 Å²	45	65 Å²	65	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-43.8	-175.9	-164.8	78	0	0	0	113	T557 S561 M562 K563 L648 L653	T557-L559 PolarHBondContact O-N 3.06Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.43Å; L559-M562 WeakPolarHBondContact O-CB 3.4Å; L559-M562 PolarHBondContact O-N 2.71Å; L559-K563 PolarHBondContact O-N 3.4Å; L559-L648 HydrophobicContact CD2-CB 3.78Å; L559-L648 HydrophobicContact CD2-CD2 3.57Å; L559-L648 HydrophobicContact CD2-CG 4.28Å; L559-L648 WeakPolarHBondContact CD2-O 3.22Å; L559-L648 HydrophobicContact CG-CD2 3.79Å; L559-L653 HydrophobicContact CD1-CD1 3.47Å; L559-L653 VanDerWaalsContact CD1-CD1 3.47Å; L559-L653 HydrophobicContact CD1-CG 4.43Å; L559-L653 HydrophobicContact CG-CD1 4.02Å
560	Q	86.3	Confident	89.1	Confident	99 Å²	99	65 Å²	65	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-33.5	173.8	-68.5	163.7	-35.5	0	0	111.4	P555 T557 K563 L564	P555-Q560 HydrophobicContact CB-CB 3.46Å; P555-Q560 VanDerWaalsContact CB-CB 3.46Å; T557-Q560 PolarHBondContact O-N 3.27Å; T557-Q560 VanDerWaalsContact OG1-CB 3.32Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.22Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.24Å; T557-Q560 PolarHBondContact OG1-N 2.96Å; T557-Q560 PolarHBondContact OG1-OE1 2.88Å; Q560-K563 PolarHBondContact O-N 2.93Å; Q560-L564 WeakPolarHBondContact O-CB 3.49Å; Q560-L564 PolarHBondContact O-N 3.25Å
561	S	89.9	Confident	89.4	Confident	64 Å²	64	63.6 Å²	63.6	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-38.7	172.7	-170.9	0	0	0	0	112	T557 V558 L559 L564 G565	T557-S561 WeakPolarHBondContact O-CB 3.4Å; T557-S561 PolarHBondContact O-N 3.35Å; V558-S561 WeakPolarHBondContact O-CB 3.47Å; V558-S561 PolarHBondContact O-N 2.89Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.43Å; S561-L564 PolarHBondContact O-N 3.07Å; S561-G565 PolarHBondContact O-N 3.3Å
562	M	90.1	Very high	89.6	Confident	78 Å²	78	64.6 Å²	64.6	38%	0.384	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-46.1	171.3	-71.3	172.7	67.1	0	0	112.1	V558 L559 L564 G565 I566 L653	V558-M562 HydrophobicContact CG1-SD 4.12Å; V558-M562 WeakPolarHBondContact O-CG 3.43Å; V558-M562 PolarHBondContact O-N 3.23Å; L559-M562 WeakPolarHBondContact O-CB 3.4Å; L559-M562 PolarHBondContact O-N 2.71Å; M562-L564 VanDerWaalsContact C-N 3.32Å; M562-L564 PolarHBondContact O-N 3.06Å; M562-G565 PolarHBondContact O-N 3.42Å; M562-I566 WeakPolarHBondContact O-CG1 3.44Å; M562-I566 PolarHBondContact O-N 2.99Å; M562-L653 HydrophobicContact CB-CD1 4.06Å; M562-L653 HydrophobicContact CE-CD1 4.46Å
563	K	90.3	Very high	90.2	Very high	32 Å²	32	58.1 Å²	58.1	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-53.2	-48.8	173.1	176.7	-177.6	170.3	177.4	0	111	Y65 L559 Q560 I566 D567 I632 L635	Y65-K563 WeakPolarHBondContact O-CE 3.42Å; Y65-K563 PolarHBondContact O-NZ 3.47Å; L559-K563 PolarHBondContact O-N 3.4Å; Q560-K563 PolarHBondContact O-N 2.93Å; K563-I566 PolarHBondContact O-N 3.04Å; K563-D567 PolarHBondContact O-N 3.25Å; K563-I632 HydrophobicContact CG-CD1 4.38Å; K563-L635 HydrophobicContact CD-CD1 4.1Å; K563-L635 HydrophobicContact CG-CD1 4.35Å
564	L	91.3	Very high	90.7	Very high	23 Å²	23	50 Å²	50	12%	0.12	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-40.7	178.3	-177.6	61.3	0	0	0	112.4	V549 P551 P555 Q560 S561 M562 I566 D567 V568	V549-L564 HydrophobicContact CG1-CD1 3.97Å; P551-L564 HydrophobicContact CG-CD2 4.48Å; P555-L564 HydrophobicContact CG-CB 4.46Å; P555-L564 HydrophobicContact CG-CD2 3.85Å; Q560-L564 WeakPolarHBondContact O-CB 3.49Å; Q560-L564 PolarHBondContact O-N 3.25Å; S561-L564 PolarHBondContact O-N 3.07Å; M562-L564 VanDerWaalsContact C-N 3.32Å; M562-L564 PolarHBondContact O-N 3.06Å; L564-I566 VanDerWaalsContact C-N 3.35Å; L564-I566 PolarHBondContact O-N 3.38Å; L564-D567 PolarHBondContact O-N 2.99Å; L564-V568 HydrophobicContact CD1-CG2 4.26Å; L564-V568 HydrophobicContact CG-CG2 4.43Å; L564-V568 WeakPolarHBondContact O-CB 3.28Å; L564-V568 WeakPolarHBondContact O-CG2 3.3Å; L564-V568 PolarHBondContact O-N 3.15Å
565	G	91.5	Very high	91.3	Very high	32 Å²	32	44.6 Å²	44.6	33%	0.33	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-38.8	176.6	0	0	0	0	0	113.3	S561 M562 N569	S561-G565 PolarHBondContact O-N 3.3Å; M562-G565 PolarHBondContact O-N 3.42Å; G565-N569 PolarHBondContact O-N 3.03Å; G565-N569 PolarHBondContact O-ND2 3.07Å
566	I	92	Very high	91.9	Very high	29 Å²	29	42.9 Å²	42.9	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-48.6	172.9	-70.9	164.5	0	0	0	110.3	Y65 M562 K563 L564 N569 R570 I632 L653	Y65-I566 HydrophobicContact CE2-CG2 4.47Å; M562-I566 WeakPolarHBondContact O-CG1 3.44Å; M562-I566 PolarHBondContact O-N 2.99Å; K563-I566 PolarHBondContact O-N 3.04Å; L564-I566 VanDerWaalsContact C-N 3.35Å; L564-I566 PolarHBondContact O-N 3.38Å; I566-N569 PolarHBondContact O-N 3.02Å; I566-R570 WeakPolarHBondContact O-CB 3.2Å; I566-R570 PolarHBondContact O-N 3.46Å; I566-I632 HydrophobicContact CB-CD1 4.32Å; I566-I632 HydrophobicContact CD1-CD1 4.11Å; I566-I632 HydrophobicContact CD1-CG1 4.35Å; I566-I632 HydrophobicContact CG2-CD1 3.92Å; I566-I632 HydrophobicContact CG2-CG1 3.95Å; I566-L653 HydrophobicContact CD1-CD2 4.31Å
567	D	92.8	Very high	92.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-37.2	-177.5	-159.9	27.2	0	0	0	112.8	S64 Y65 V549 K563 L564 N569 R570 H571	S64-D567 WeakPolarHBondContact CA-OD2 3.2Å; S64-D567 WeakPolarHBondContact CB-OD2 3.47Å; Y65-D567 HydrophobicContact CD2-CB 3.87Å; Y65-D567 HydrophobicContact CG-CB 4.49Å; Y65-D567 PolarHBondContact N-OD2 3.46Å; V549-D567 HydrophobicContact CG1-CB 4.2Å; K563-D567 PolarHBondContact O-N 3.25Å; L564-D567 PolarHBondContact O-N 2.99Å; D567-N569 VanDerWaalsContact C-N 3.29Å; D567-N569 PolarHBondContact O-N 3.4Å; D567-R570 WeakPolarHBondContact O-CB 3.32Å; D567-R570 PolarHBondContact O-N 3.35Å; D567-R570 IonicContact OD1-NH1 3.72Å; D567-H571 VanDerWaalsContact O-CB 3.22Å; D567-H571 WeakPolarHBondContact O-CB 3.15Å; D567-H571 PolarHBondContact O-N 2.8Å
568	V	93.3	Very high	93	Very high	23 Å²	23	32 Å²	32	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-38.8	172.7	163	0	0	0	0	111.8	L546 V549 L564 K572	L546-V568 HydrophobicContact CD1-CG1 3.75Å; L546-V568 HydrophobicContact CD1-CG2 4.38Å; L546-V568 HydrophobicContact CD2-CG1 3.97Å; V549-V568 HydrophobicContact CG1-CG2 3.89Å; L564-V568 HydrophobicContact CD1-CG2 4.26Å; L564-V568 HydrophobicContact CG-CG2 4.43Å; L564-V568 WeakPolarHBondContact O-CB 3.28Å; L564-V568 WeakPolarHBondContact O-CG2 3.3Å; L564-V568 PolarHBondContact O-N 3.15Å; V568-K572 WeakPolarHBondContact O-CG 3.49Å; V568-K572 PolarHBondContact O-N 3.07Å
569	N	93.6	Very high	93.5	Very high	75 Å²	75	26.5 Å²	26.5	40%	0.401	15%	0.146	S	C	.	.	H	α-helix	trans	-72.4	-46.2	174.8	-71.2	-36.2	0	0	0	111.3	G565 I566 D567 H571 K572 E573 N630	G565-N569 PolarHBondContact O-N 3.03Å; G565-N569 PolarHBondContact O-ND2 3.07Å; I566-N569 PolarHBondContact O-N 3.02Å; D567-N569 VanDerWaalsContact C-N 3.29Å; D567-N569 PolarHBondContact O-N 3.4Å; N569-H571 VanDerWaalsContact C-N 3.32Å; N569-H571 PolarHBondContact O-N 3.27Å; N569-K572 WeakPolarHBondContact O-CB 3.32Å; N569-K572 PolarHBondContact O-N 3.48Å; N569-K572 VanDerWaalsContact O-N 3.07Å; N569-E573 WeakPolarHBondContact O-CG 3.22Å; N569-E573 PolarHBondContact O-N 2.97Å; N569-N630 HydrophobicContact CB-CB 4.21Å; N569-N630 VanDerWaalsContact CB-CG 3.47Å; N569-N630 WeakPolarHBondContact CB-OD1 3.44Å
570	R	94.5	Very high	94.1	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-52.5	-48.5	175.4	-174.8	176.8	173.8	-91.2	3.2	111.7	S60 Y63 Y65 I566 D567 K572 E573 I574 N630 D636	S60-R570 PolarHBondContact O-NH2 3.2Å; S60-R570 PolarHBondContact OG-NH2 2.6Å; Y63-R570 PolarHBondContact O-NH1 3.07Å; Y65-R570 WeakPolarHBondContact OH-CD 3.49Å; Y65-R570 PolarHBondContact OH-NE 3.37Å; Y65-R570 VanDerWaalsContact OH-NE 3.12Å; I566-R570 WeakPolarHBondContact O-CB 3.2Å; I566-R570 PolarHBondContact O-N 3.46Å; D567-R570 WeakPolarHBondContact O-CB 3.32Å; D567-R570 PolarHBondContact O-N 3.35Å; D567-R570 IonicContact OD1-NH1 3.72Å; R570-K572 VanDerWaalsContact C-N 3.35Å; R570-K572 PolarHBondContact O-N 3.39Å; R570-E573 WeakPolarHBondContact O-CB 3.29Å; R570-E573 PolarHBondContact O-N 3.19Å; R570-E573 VanDerWaalsContact O-N 3.15Å; R570-I574 HydrophobicContact CG-CD1 3.96Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 3.43Å; R570-I574 PolarHBondContact O-N 3.03Å; R570-N630 HydrophobicContact CB-CB 4.21Å; R570-N630 VanDerWaalsContact CB-O 3.24Å; R570-N630 WeakPolarHBondContact CB-O 3.33Å; R570-N630 WeakPolarHBondContact CD-O 3.37Å; R570-N630 WeakPolarHBondContact CG-O 3.36Å; R570-D636 IonicContact NH2-OD1 2.76Å; R570-D636 PolarHBondContact NH2-OD1 3.47Å
571	H	95	Very high	94.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.3	-46.4	175.6	170.2	103.2	0	0	0	112.1	I545 D548 V549 D567 N569 E573 I574 I575	I545-H571 PolarHBondContact O-CE1 3.29Å; I545-H571 VanDerWaalsContact O-CE1 3.31Å; I545-H571 PolarHBondContact O-NE2 3.3Å; D548-H571 IonicContact OD1-CE1 2.76Å; D548-H571 PolarHBondContact OD1-CE1 2.88Å; D548-H571 IonicContact OD1-ND1 3.55Å; D548-H571 PolarHBondContact OD1-ND1 3.37Å; D548-H571 IonicContact OD1-NE2 3.88Å; D548-H571 IonicContact OD2-CE1 3.75Å; V549-H571 HydrophobicContact CG2-CB 3.68Å; V549-H571 WeakPolarHBondContact CG2-ND1 3.35Å; D567-H571 VanDerWaalsContact O-CB 3.22Å; D567-H571 WeakPolarHBondContact O-CB 3.15Å; D567-H571 PolarHBondContact O-N 2.8Å; N569-H571 VanDerWaalsContact C-N 3.32Å; N569-H571 PolarHBondContact O-N 3.27Å; H571-E573 PolarHBondContact O-N 2.9Å; H571-I574 PolarHBondContact O-N 3.29Å; H571-I575 WeakPolarHBondContact NE2-CD1 3.45Å; H571-I575 PolarHBondContact O-N 2.94Å
572	K	95.1	Very high	95.1	Very high	46 Å²	46	16.9 Å²	16.9	20%	0.2	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.7	-71.9	179.2	-179.1	-172.6	0	111.9	A532 I545 V568 N569 R570 I574 I575 V576	A532-K572 HydrophobicContact CB-CB 4.32Å; A532-K572 HydrophobicContact CB-CG 4.48Å; I545-K572 HydrophobicContact CD1-CG 4.09Å; V568-K572 WeakPolarHBondContact O-CG 3.49Å; V568-K572 PolarHBondContact O-N 3.07Å; N569-K572 WeakPolarHBondContact O-CB 3.32Å; N569-K572 PolarHBondContact O-N 3.48Å; N569-K572 VanDerWaalsContact O-N 3.07Å; R570-K572 VanDerWaalsContact C-N 3.35Å; R570-K572 PolarHBondContact O-N 3.39Å; K572-I574 VanDerWaalsContact C-N 3.33Å; K572-I574 PolarHBondContact O-N 3.4Å; K572-I575 PolarHBondContact O-N 3.18Å; K572-V576 VanDerWaalsContact O-CG2 3.29Å; K572-V576 WeakPolarHBondContact O-CG2 3.5Å; K572-V576 PolarHBondContact O-N 2.95Å
573	E	95.6	Very high	95.5	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-42.4	175.4	-61.5	179.3	166.3	0	0	112.2	N569 R570 H571 V576 K577 N630 R664 N665	N569-E573 WeakPolarHBondContact O-CG 3.22Å; N569-E573 PolarHBondContact O-N 2.97Å; R570-E573 WeakPolarHBondContact O-CB 3.29Å; R570-E573 PolarHBondContact O-N 3.19Å; R570-E573 VanDerWaalsContact O-N 3.15Å; H571-E573 PolarHBondContact O-N 2.9Å; E573-V576 PolarHBondContact O-N 3.4Å; E573-K577 WeakPolarHBondContact O-CB 3.32Å; E573-K577 PolarHBondContact O-N 3.45Å; E573-N630 PolarHBondContact OE1-ND2 2.94Å; E573-R664 HydrophobicContact CB-CB 4.4Å; E573-R664 IonicContact OE2-CZ 2.73Å; E573-R664 VanDerWaalsContact OE2-CZ 3.3Å; E573-R664 IonicContact OE2-NE 2.89Å; E573-R664 PolarHBondContact OE2-NE 2.93Å; E573-R664 IonicContact OE2-NH2 2.71Å; E573-R664 PolarHBondContact OE2-NH2 3.49Å; E573-N665 WeakPolarHBondContact CB-OD1 3.45Å; E573-N665 VanDerWaalsContact CD-ND2 3.29Å; E573-N665 VanDerWaalsContact CD-OD1 3.24Å; E573-N665 WeakPolarHBondContact CG-OD1 3.15Å; E573-N665 PolarHBondContact OE1-ND2 3.42Å
574	I	97.3	Very high	95.9	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-64.5	-44	178.5	-64.6	163.6	0	0	0	111	E61 K261 L265 R570 H571 K572 V576 K577 A578	E61-I574 HydrophobicContact CB-CD1 3.84Å; E61-I574 HydrophobicContact CB-CG1 4.13Å; E61-I574 HydrophobicContact CB-CG2 4.34Å; E61-I574 HydrophobicContact CG-CD1 3.76Å; E61-I574 HydrophobicContact CG-CG1 3.8Å; K261-I574 HydrophobicContact CD-CB 4.48Å; K261-I574 HydrophobicContact CD-CD1 4.1Å; K261-I574 HydrophobicContact CD-CG2 4.15Å; K261-I574 HydrophobicContact CG-CB 4.39Å; K261-I574 HydrophobicContact CG-CG2 3.75Å; L265-I574 HydrophobicContact CD1-CG2 3.91Å; L265-I574 HydrophobicContact CD2-CG2 3.88Å; L265-I574 HydrophobicContact CG-CG2 3.96Å; R570-I574 HydrophobicContact CG-CD1 3.96Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 3.43Å; R570-I574 PolarHBondContact O-N 3.03Å; H571-I574 PolarHBondContact O-N 3.29Å; K572-I574 VanDerWaalsContact C-N 3.33Å; K572-I574 PolarHBondContact O-N 3.4Å; I574-V576 PolarHBondContact O-N 3.2Å; I574-K577 WeakPolarHBondContact O-CB 3.42Å; I574-K577 PolarHBondContact O-N 3.28Å; I574-A578 PolarHBondContact O-N 3.5Å
575	I	97.4	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-44.2	174.9	-73.8	-168.7	0	0	0	111.5	M260 L264 A532 I545 H571 K572 A578 I579	M260-I575 HydrophobicContact CB-CD1 4.42Å; L264-I575 HydrophobicContact CD1-CB 4.37Å; L264-I575 HydrophobicContact CD1-CD1 4.25Å; L264-I575 HydrophobicContact CD1-CG1 4.03Å; L264-I575 HydrophobicContact CD1-CG2 3.86Å; A532-I575 HydrophobicContact CB-CB 4.01Å; A532-I575 HydrophobicContact CB-CG2 3.57Å; I545-I575 HydrophobicContact CB-CD1 4.29Å; I545-I575 HydrophobicContact CD1-CD1 4.41Å; H571-I575 WeakPolarHBondContact NE2-CD1 3.45Å; H571-I575 PolarHBondContact O-N 2.94Å; K572-I575 PolarHBondContact O-N 3.18Å; I575-A578 PolarHBondContact O-N 3.49Å; I575-I579 HydrophobicContact CG2-CD1 3.56Å; I575-I579 HydrophobicContact CG2-CG1 4.41Å; I575-I579 WeakPolarHBondContact O-CB 3.32Å; I575-I579 WeakPolarHBondContact O-CG1 3.43Å; I575-I579 PolarHBondContact O-N 3.35Å
576	V	97.6	Very high	96.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-40.9	176.9	177.5	0	0	0	0	111	L529 A532 K572 E573 I574 S580 F617 L672	L529-V576 HydrophobicContact CD1-CB 4.38Å; L529-V576 HydrophobicContact CD1-CG1 4.01Å; L529-V576 HydrophobicContact CD1-CG2 4.16Å; A532-V576 HydrophobicContact CB-CG2 3.77Å; K572-V576 VanDerWaalsContact O-CG2 3.29Å; K572-V576 WeakPolarHBondContact O-CG2 3.5Å; K572-V576 PolarHBondContact O-N 2.95Å; E573-V576 PolarHBondContact O-N 3.4Å; I574-V576 PolarHBondContact O-N 3.2Å; V576-S580 WeakPolarHBondContact O-CB 3.47Å; V576-S580 PolarHBondContact O-N 3.24Å; V576-S580 PolarHBondContact O-OG 2.94Å; V576-F617 HydrophobicContact CG1-CE2 3.72Å; V576-F617 HydrophobicContact CG1-CZ 3.85Å; V576-F617 HydrophobicContact CG2-CE2 4.19Å; V576-L672 HydrophobicContact CG1-CD1 4.45Å
577	K	97.4	Very high	96.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.8	-56.9	173.9	164.2	173.5	168.1	-174.2	0	110.8	E58 E61 W268 E573 I574 S580 A581 W663 R664 F667 S668	E58-K577 VanDerWaalsContact CD-NZ 3.25Å; E58-K577 WeakPolarHBondContact OE1-CE 3.5Å; E58-K577 IonicContact OE1-NZ 2.89Å; E58-K577 PolarHBondContact OE1-NZ 3.38Å; E58-K577 IonicContact OE2-NZ 3.27Å; E58-K577 PolarHBondContact OE2-NZ 2.78Å; E61-K577 IonicContact OE1-NZ 3.2Å; E61-K577 PolarHBondContact OE1-NZ 2.96Å; E61-K577 WeakPolarHBondContact OE2-CD 3.37Å; E61-K577 VanDerWaalsContact OE2-CE 3.26Å; E61-K577 WeakPolarHBondContact OE2-CE 3.46Å; E61-K577 IonicContact OE2-NZ 4Å; E61-K577 PolarHBondContact OE2-NZ 3.5Å; W268-K577 HydrophobicContact CH2-CG 4.21Å; W268-K577 HydrophobicContact CZ3-CD 4.42Å; W268-K577 HydrophobicContact CZ3-CG 4.11Å; E573-K577 WeakPolarHBondContact O-CB 3.32Å; E573-K577 PolarHBondContact O-N 3.45Å; I574-K577 WeakPolarHBondContact O-CB 3.42Å; I574-K577 PolarHBondContact O-N 3.28Å; K577-S580 PolarHBondContact O-N 3.31Å; K577-S580 PolarHBondContact O-OG 3.29Å; K577-A581 WeakPolarHBondContact O-CB 3.46Å; K577-A581 PolarHBondContact O-N 2.9Å; K577-W663 HydrophobicContact CD-CZ3 4.08Å; K577-R664 HydrophobicContact CB-CB 4.48Å; K577-R664 HydrophobicContact CD-CB 4.16Å; K577-R664 HydrophobicContact CD-CG 3.8Å; K577-F667 HydrophobicContact CD-CD1 4.49Å; K577-F667 HydrophobicContact CG-CD1 3.9Å; K577-F667 HydrophobicContact CG-CE1 3.94Å; K577-S668 VanDerWaalsContact CA-OG 3.26Å; K577-S668 WeakPolarHBondContact CA-OG 3.49Å; K577-S668 PolarHBondContact N-OG 3.35Å
578	A	98.4	Very high	97.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-59.7	-50.4	-177.6	0	0	0	0	0	112.5	L264 L265 W268 I574 I575 S580 A581 L582	L264-A578 HydrophobicContact CB-CB 4.08Å; L265-A578 HydrophobicContact CD2-CB 4.46Å; W268-A578 HydrophobicContact CB-CB 4.5Å; W268-A578 HydrophobicContact CE3-CB 4.18Å; I574-A578 PolarHBondContact O-N 3.5Å; I575-A578 PolarHBondContact O-N 3.49Å; A578-S580 PolarHBondContact O-N 2.96Å; A578-A581 PolarHBondContact O-N 3.48Å; A578-L582 VanDerWaalsContact O-CB 3.29Å; A578-L582 WeakPolarHBondContact O-CB 3.47Å; A578-L582 PolarHBondContact O-N 3.04Å
579	I	98.5	Very high	97.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.3	-42.4	-178.4	-63.7	168.4	0	0	0	111.4	L264 L525 L528 L529 I575 A581 L583	L264-I579 HydrophobicContact CD1-CD1 3.91Å; L264-I579 HydrophobicContact CD1-CG1 3.95Å; L264-I579 HydrophobicContact CD2-CG1 4Å; L525-I579 HydrophobicContact CB-CG2 4.19Å; L525-I579 HydrophobicContact CD2-CG1 4.3Å; L525-I579 HydrophobicContact CD2-CG2 4.47Å; L528-I579 HydrophobicContact CB-CD1 3.52Å; L529-I579 HydrophobicContact CB-CD1 4.26Å; L529-I579 HydrophobicContact CB-CG2 4.19Å; I575-I579 HydrophobicContact CG2-CD1 3.56Å; I575-I579 HydrophobicContact CG2-CG1 4.41Å; I575-I579 WeakPolarHBondContact O-CB 3.32Å; I575-I579 WeakPolarHBondContact O-CG1 3.43Å; I575-I579 PolarHBondContact O-N 3.35Å; I579-A581 VanDerWaalsContact C-N 3.3Å; I579-A581 PolarHBondContact O-N 3.5Å; I579-L583 HydrophobicContact CG2-CD1 3.8Å; I579-L583 HydrophobicContact CG2-CG 4.18Å; I579-L583 WeakPolarHBondContact O-CB 3.46Å; I579-L583 WeakPolarHBondContact O-CG 3.41Å; I579-L583 PolarHBondContact O-N 3.33Å
580	S	98.5	Very high	97.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.1	-33.6	-179.6	73.8	0	0	0	0	112.4	V576 K577 A578 L584 N671 I675	V576-S580 WeakPolarHBondContact O-CB 3.47Å; V576-S580 PolarHBondContact O-N 3.24Å; V576-S580 PolarHBondContact O-OG 2.94Å; K577-S580 PolarHBondContact O-N 3.31Å; K577-S580 PolarHBondContact O-OG 3.29Å; A578-S580 PolarHBondContact O-N 2.96Å; S580-L584 VanDerWaalsContact O-CB 3.28Å; S580-L584 WeakPolarHBondContact O-CB 3.18Å; S580-L584 PolarHBondContact O-N 3.14Å; S580-N671 WeakPolarHBondContact OG-CB 3.47Å; S580-N671 PolarHBondContact OG-ND2 2.77Å; S580-I675 WeakPolarHBondContact O-CD1 3.3Å
581	A	98.3	Very high	97.7	Very high	4 Å²	4	8 Å²	8	3%	0.033	4%	0.037	C	C	.	.	H	α-helix	trans	-74.8	-47.7	176	0	0	0	0	0	112	W268 K577 A578 I579 L583 L584 L585 F667	W268-A581 HydrophobicContact CD2-CB 3.98Å; W268-A581 HydrophobicContact CG-CB 4.26Å; W268-A581 HydrophobicContact CZ2-CB 3.65Å; W268-A581 VanDerWaalsContact NE1-CB 3.27Å; K577-A581 WeakPolarHBondContact O-CB 3.46Å; K577-A581 PolarHBondContact O-N 2.9Å; A578-A581 PolarHBondContact O-N 3.48Å; I579-A581 VanDerWaalsContact C-N 3.3Å; I579-A581 PolarHBondContact O-N 3.5Å; A581-L583 PolarHBondContact O-N 3.06Å; A581-L584 PolarHBondContact O-N 3.09Å; A581-L584 VanDerWaalsContact O-N 3.14Å; A581-L585 WeakPolarHBondContact O-CG 3.3Å; A581-L585 PolarHBondContact O-N 2.92Å; A581-F667 HydrophobicContact CB-CE1 3.82Å; A581-F667 HydrophobicContact CB-CZ 3.89Å
582	L	98.6	Very high	97.7	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-54.5	-53.8	176	177.2	64.7	0	0	0	111.7	F244 L267 W268 V271 L525 A578 L584 L585 L586	F244-L582 HydrophobicContact CE1-CD2 4.19Å; F244-L582 HydrophobicContact CZ-CD1 4.29Å; F244-L582 HydrophobicContact CZ-CD2 4.21Å; L267-L582 HydrophobicContact CD2-CD2 3.63Å; L267-L582 HydrophobicContact CG-CD1 4.22Å; L267-L582 HydrophobicContact CG-CD2 3.85Å; W268-L582 HydrophobicContact CB-CB 4.46Å; V271-L582 HydrophobicContact CB-CD1 3.97Å; V271-L582 HydrophobicContact CG1-CD1 4.06Å; V271-L582 HydrophobicContact CG2-CD1 3.89Å; L525-L582 HydrophobicContact CD1-CD2 3.94Å; L525-L582 HydrophobicContact CD2-CD2 3.87Å; A578-L582 VanDerWaalsContact O-CB 3.29Å; A578-L582 WeakPolarHBondContact O-CB 3.47Å; A578-L582 PolarHBondContact O-N 3.04Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.32Å; L582-L585 PolarHBondContact O-N 2.96Å; L582-L586 HydrophobicContact CD1-CD1 4.18Å; L582-L586 HydrophobicContact CD1-CG 4.36Å; L582-L586 HydrophobicContact CG-CD1 4.13Å; L582-L586 WeakPolarHBondContact O-CG 3.35Å; L582-L586 PolarHBondContact O-N 3.3Å
583	L	98.6	Very high	97.8	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.016	4%	0.043	C	C	.	.	H	α-helix	trans	-58.9	-37.9	177.8	-73.7	177.6	0	0	0	112.2	L525 L526 I579 A581 L587 L605 I675	L525-L583 HydrophobicContact CD1-CD2 3.57Å; L525-L583 HydrophobicContact CD1-CG 4.12Å; L526-L583 HydrophobicContact CD2-CD1 4.39Å; I579-L583 HydrophobicContact CG2-CD1 3.8Å; I579-L583 HydrophobicContact CG2-CG 4.18Å; I579-L583 WeakPolarHBondContact O-CB 3.46Å; I579-L583 WeakPolarHBondContact O-CG 3.41Å; I579-L583 PolarHBondContact O-N 3.33Å; A581-L583 PolarHBondContact O-N 3.06Å; L583-L587 VanDerWaalsContact O-CB 3.32Å; L583-L587 WeakPolarHBondContact O-CB 3.43Å; L583-L587 WeakPolarHBondContact O-CD1 3.45Å; L583-L587 WeakPolarHBondContact O-CG 3.47Å; L583-L587 PolarHBondContact O-N 3.14Å; L583-L587 VanDerWaalsContact O-N 3.08Å; L583-L605 HydrophobicContact CD1-CD2 4.32Å; L583-L605 HydrophobicContact CD2-CD2 4.04Å; L583-I675 HydrophobicContact CB-CD1 3.71Å; L583-I675 HydrophobicContact CD1-CD1 4.49Å
584	L	98.4	Very high	97.8	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-72.1	-37.3	179.3	-178.7	59.6	0	0	0	112.7	F278 S580 A581 L582 K588 N671 R674 I675 K678	F278-L584 HydrophobicContact CZ-CD2 4.17Å; S580-L584 VanDerWaalsContact O-CB 3.28Å; S580-L584 WeakPolarHBondContact O-CB 3.18Å; S580-L584 PolarHBondContact O-N 3.14Å; A581-L584 PolarHBondContact O-N 3.09Å; A581-L584 VanDerWaalsContact O-N 3.14Å; L582-L584 VanDerWaalsContact C-N 3.26Å; L582-L584 PolarHBondContact O-N 3.32Å; L584-K588 HydrophobicContact CD1-CD 4.29Å; L584-K588 HydrophobicContact CD1-CG 4.39Å; L584-K588 HydrophobicContact CG-CD 4.24Å; L584-K588 WeakPolarHBondContact O-CB 3.41Å; L584-K588 WeakPolarHBondContact O-CG 3.49Å; L584-K588 PolarHBondContact O-N 3.31Å; L584-K588 VanDerWaalsContact O-N 3.16Å; L584-N671 HydrophobicContact CD2-CB 4.17Å; L584-N671 WeakPolarHBondContact CD2-OD1 3.45Å; L584-R674 HydrophobicContact CD1-CB 3.78Å; L584-R674 HydrophobicContact CD2-CB 3.93Å; L584-R674 HydrophobicContact CD2-CG 4.49Å; L584-I675 HydrophobicContact CB-CD1 4.29Å; L584-I675 HydrophobicContact CB-CG1 4.09Å; L584-I675 HydrophobicContact CD1-CG1 4.25Å; L584-K678 HydrophobicContact CD1-CD 3.85Å
585	L	98	Very high	97.8	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-64.8	-51.6	175.3	-75.5	167	0	0	0	110.7	L272 F278 A581 L582 L587 K588 H589	L272-L585 HydrophobicContact CB-CD1 4.02Å; L272-L585 HydrophobicContact CD1-CD1 4.03Å; L272-L585 HydrophobicContact CD1-CD2 4.2Å; F278-L585 HydrophobicContact CD1-CD2 4.13Å; F278-L585 HydrophobicContact CE1-CD2 3.85Å; A581-L585 WeakPolarHBondContact O-CG 3.3Å; A581-L585 PolarHBondContact O-N 2.92Å; L582-L585 PolarHBondContact O-N 2.96Å; L585-L587 PolarHBondContact O-N 3.24Å; L585-K588 WeakPolarHBondContact O-CA 3.3Å; L585-K588 WeakPolarHBondContact O-CB 3.34Å; L585-K588 PolarHBondContact O-N 2.88Å; L585-H589 PolarHBondContact O-N 3.03Å
586	L	98.3	Very high	97.8	Very high	8 Å²	8	10 Å²	10	4%	0.042	5%	0.048	C	C	.	.	H	α-helix	trans	-54.5	-51.8	175.9	-65.5	169	0	0	0	111.3	F244 V271 L510 M514 L582 K588 H589 L590	F244-L586 HydrophobicContact CZ-CD1 4.03Å; V271-L586 HydrophobicContact CG1-CD2 4.23Å; L510-L586 HydrophobicContact CD2-CD2 4.04Å; M514-L586 HydrophobicContact SD-CD2 4.42Å; L582-L586 HydrophobicContact CD1-CD1 4.18Å; L582-L586 HydrophobicContact CD1-CG 4.36Å; L582-L586 HydrophobicContact CG-CD1 4.13Å; L582-L586 WeakPolarHBondContact O-CG 3.35Å; L582-L586 PolarHBondContact O-N 3.3Å; L586-K588 PolarHBondContact O-N 3.36Å; L586-H589 PolarHBondContact O-N 2.85Å; L586-L590 HydrophobicContact CB-CD1 4.45Å; L586-L590 VanDerWaalsContact O-CB 3.27Å; L586-L590 WeakPolarHBondContact O-CB 3.37Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.43Å; L586-L590 PolarHBondContact O-N 2.63Å
587	L	98.5	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.6	-12.4	177.7	-70.7	173.5	0	0	0	114	L583 L585 K591 F598 V601 L605 I675 K678	L583-L587 VanDerWaalsContact O-CB 3.32Å; L583-L587 WeakPolarHBondContact O-CB 3.43Å; L583-L587 WeakPolarHBondContact O-CD1 3.45Å; L583-L587 WeakPolarHBondContact O-CG 3.47Å; L583-L587 PolarHBondContact O-N 3.14Å; L583-L587 VanDerWaalsContact O-N 3.08Å; L585-L587 PolarHBondContact O-N 3.24Å; L587-K591 WeakPolarHBondContact O-CB 3.34Å; L587-F598 HydrophobicContact CB-CD2 4.24Å; L587-F598 HydrophobicContact CB-CE2 4.22Å; L587-F598 HydrophobicContact CD2-CD2 3.78Å; L587-F598 HydrophobicContact CD2-CE2 3.79Å; L587-F598 VanDerWaalsContact O-CD2 3.3Å; L587-F598 WeakPolarHBondContact O-CD2 3.48Å; L587-V601 HydrophobicContact CD2-CB 4.29Å; L587-V601 HydrophobicContact CD2-CG1 3.87Å; L587-L605 HydrophobicContact CD1-CD1 3.79Å; L587-L605 HydrophobicContact CD2-CD1 3.94Å; L587-L605 HydrophobicContact CG-CD1 4.18Å; L587-I675 HydrophobicContact CD1-CG1 4.27Å; L587-I675 HydrophobicContact CD1-CG2 3.99Å; L587-K678 HydrophobicContact CB-CD 4.08Å; L587-K678 PolarHBondContact O-NZ 3.37Å
588	K	97.7	Very high	97.9	Very high	25 Å²	25	10.2 Å²	10.2	11%	0.109	5%	0.049	C	C	.	.	H	α-helix	trans	-93.7	-49.7	174.6	-78.9	176.7	89	-141.7	0	111.3	F278 L281 L584 L585 L586 K591 L592 K678	F278-K588 HydrophobicContact CD1-CD 4.24Å; F278-K588 HydrophobicContact CE1-CD 4Å; L281-K588 HydrophobicContact CD1-CB 4.49Å; L281-K588 HydrophobicContact CD2-CB 3.7Å; L281-K588 HydrophobicContact CD2-CD 4.01Å; L281-K588 HydrophobicContact CD2-CG 4.2Å; L584-K588 HydrophobicContact CD1-CD 4.29Å; L584-K588 HydrophobicContact CD1-CG 4.39Å; L584-K588 HydrophobicContact CG-CD 4.24Å; L584-K588 WeakPolarHBondContact O-CB 3.41Å; L584-K588 WeakPolarHBondContact O-CG 3.49Å; L584-K588 PolarHBondContact O-N 3.31Å; L584-K588 VanDerWaalsContact O-N 3.16Å; L585-K588 WeakPolarHBondContact O-CA 3.3Å; L585-K588 WeakPolarHBondContact O-CB 3.34Å; L585-K588 PolarHBondContact O-N 2.88Å; L586-K588 PolarHBondContact O-N 3.36Å; K588-K591 PolarHBondContact O-N 3.3Å; K588-L592 PolarHBondContact O-N 3.41Å; K588-K678 VanDerWaalsContact CG-CE 3.46Å
589	H	98	Very high	97.8	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.023	5%	0.052	C	C	.	.	H	α-helix	trans	-68	-50.9	-178.9	-79	-59.6	0	0	0	112.2	L275 G276 L281 L585 L586 K591 L592 N593	L275-H589 VanDerWaalsContact CB-CD2 3.43Å; L275-H589 WeakPolarHBondContact CB-CD2 3.4Å; L275-H589 WeakPolarHBondContact CB-NE2 3.27Å; L275-H589 HydrophobicContact CD1-CB 3.87Å; L275-H589 PolarHBondContact O-CE1 2.87Å; L275-H589 PolarHBondContact O-NE2 2.77Å; G276-H589 PolarHBondContact O-NE2 3.09Å; L281-H589 WeakPolarHBondContact CD1-ND1 3.43Å; L585-H589 PolarHBondContact O-N 3.03Å; L586-H589 PolarHBondContact O-N 2.85Å; H589-K591 PolarHBondContact O-N 3.41Å; H589-K591 VanDerWaalsContact O-N 3.15Å; H589-L592 WeakPolarHBondContact O-CA 3.27Å; H589-L592 WeakPolarHBondContact O-CB 3.4Å; H589-L592 PolarHBondContact O-N 2.9Å; H589-N593 WeakPolarHBondContact O-CB 3.36Å; H589-N593 PolarHBondContact O-N 2.83Å
590	L	98.1	Very high	97.7	Very high	7 Å²	7	11.7 Å²	11.7	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-57.5	-34.7	175.6	-61.8	178.3	0	0	0	111.8	Y511 L586 L592 N593 H594 Q597 V601	Y511-L590 HydrophobicContact CD2-CD1 4.26Å; Y511-L590 HydrophobicContact CD2-CD2 3.89Å; Y511-L590 HydrophobicContact CG-CD2 4.21Å; L586-L590 HydrophobicContact CB-CD1 4.45Å; L586-L590 VanDerWaalsContact O-CB 3.27Å; L586-L590 WeakPolarHBondContact O-CB 3.37Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.43Å; L586-L590 PolarHBondContact O-N 2.63Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 2.94Å; L590-N593 PolarHBondContact O-N 3.03Å; L590-H594 CarbonylContact O-C 3.58Å; L590-H594 VanDerWaalsContact O-C 3.29Å; L590-H594 PolarHBondContact O-N 3.38Å; L590-Q597 HydrophobicContact CB-CB 4.16Å; L590-Q597 HydrophobicContact CD2-CB 4.48Å; L590-V601 HydrophobicContact CD1-CG2 3.68Å
591	K	97.8	Very high	97.7	Very high	55 Å²	55	12 Å²	12	24%	0.239	6%	0.058	C	C	.	.	H	α-helix	trans	-70.2	-28	176.8	-166.2	174.8	-173.6	74.6	0	113.6	L587 K588 H589 I595 F598	L587-K591 WeakPolarHBondContact O-CB 3.34Å; K588-K591 PolarHBondContact O-N 3.3Å; H589-K591 PolarHBondContact O-N 3.41Å; H589-K591 VanDerWaalsContact O-N 3.15Å; K591-I595 HydrophobicContact CG-CD1 4.5Å; K591-F598 HydrophobicContact CB-CB 3.62Å; K591-F598 HydrophobicContact CB-CD2 3.84Å; K591-F598 HydrophobicContact CB-CG 3.74Å; K591-F598 HydrophobicContact CD-CD1 4.09Å; K591-F598 HydrophobicContact CD-CD2 4.07Å; K591-F598 HydrophobicContact CD-CE1 4.29Å; K591-F598 HydrophobicContact CD-CE2 4.25Å; K591-F598 HydrophobicContact CD-CG 3.99Å; K591-F598 HydrophobicContact CD-CZ 4.37Å; K591-F598 HydrophobicContact CG-CB 3.97Å; K591-F598 HydrophobicContact CG-CD1 4.16Å; K591-F598 HydrophobicContact CG-CD2 4.19Å; K591-F598 HydrophobicContact CG-CG 3.81Å; K591-F598 VanDerWaalsContact NZ-CD1 3.26Å; K591-F598 VanDerWaalsContact NZ-CE1 3.28Å
592	L	96.5	Very high	97.6	Very high	28 Å²	28	11.8 Å²	11.8	15%	0.147	6%	0.057	C	C	.	.	H	α-helix	trans	-77.4	-44.7	174.6	-179.4	58.9	0	0	0	109.8	L281 M284 K285 A288 Q483 K588 H589 L590	L281-L592 HydrophobicContact CD1-CB 4.2Å; L281-L592 HydrophobicContact CD1-CD2 3.76Å; M284-L592 HydrophobicContact CB-CD2 3.72Å; K285-L592 HydrophobicContact CB-CD1 3.92Å; K285-L592 HydrophobicContact CB-CD2 4.12Å; K285-L592 HydrophobicContact CG-CD1 4.08Å; A288-L592 HydrophobicContact CB-CD1 4.18Å; Q483-L592 PolarHBondContact NE2-O 3.27Å; K588-L592 PolarHBondContact O-N 3.41Å; H589-L592 WeakPolarHBondContact O-CA 3.27Å; H589-L592 WeakPolarHBondContact O-CB 3.4Å; H589-L592 PolarHBondContact O-N 2.9Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 2.94Å
593	N	96.1	Very high	97.4	Very high	35 Å²	35	12.1 Å²	12.1	19%	0.187	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-61.3	179.7	-165	55.1	0	0	0	111.9	Q483 T505 A507 E508 H589 L590 Q597	Q483-N593 PolarHBondContact NE2-O 2.91Å; T505-N593 PolarHBondContact OG1-OD1 2.89Å; A507-N593 HydrophobicContact CB-CB 4.1Å; E508-N593 PolarHBondContact OE2-ND2 3.04Å; H589-N593 WeakPolarHBondContact O-CB 3.36Å; H589-N593 PolarHBondContact O-N 2.83Å; L590-N593 PolarHBondContact O-N 3.03Å; N593-Q597 PolarHBondContact ND2-NE2 3.3Å; N593-Q597 PolarHBondContact ND2-OE1 3.4Å
594	H	96.4	Very high	97.3	Very high	13 Å²	13	14.5 Å²	14.5	6%	0.06	7%	0.069	C	C	.	.			trans	-147.7	134.7	164.8	-152.4	-115	0	0	0	115.2	L590 Y596 Q597 F598 F779	L590-H594 CarbonylContact O-C 3.58Å; L590-H594 VanDerWaalsContact O-C 3.29Å; L590-H594 PolarHBondContact O-N 3.38Å; H594-Y596 VanDerWaalsContact C-N 3.3Å; H594-Y596 AromaticContact CE1-CD2 3.7Å; H594-Y596 AromaticContact ND1-CD2 3.96Å; H594-Y596 PolarHBondContact O-N 2.62Å; H594-Q597 HydrophobicContact CB-CB 4.38Å; H594-Q597 HydrophobicContact CB-CG 3.87Å; H594-Q597 WeakPolarHBondContact O-CB 3.18Å; H594-Q597 PolarHBondContact O-N 3.05Å; H594-Q597 VanDerWaalsContact O-N 3.09Å; H594-F598 PolarHBondContact O-N 2.81Å; H594-F779 HydrophobicContact CB-CZ 4.03Å; H594-F779 AromaticContact CE1-CD2 3.6Å; H594-F779 AromaticContact CE1-CE2 3.29Å; H594-F779 WeakPolarHBondContact CE1-CE2 3.38Å; H594-F779 AromaticContact CE1-CZ 3.88Å; H594-F779 AromaticContact CG-CE2 3.81Å; H594-F779 AromaticContact CG-CZ 3.7Å; H594-F779 AromaticContact ND1-CD2 3.64Å; H594-F779 AromaticContact ND1-CE1 3.78Å; H594-F779 AromaticContact ND1-CE2 3.04Å; H594-F779 WeakPolarHBondContact ND1-CE2 3.42Å; H594-F779 AromaticContact ND1-CZ 3.11Å; H594-F779 WeakPolarHBondContact ND1-CZ 3.37Å
595	I	97.3	Very high	97.3	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-50.5	-43.5	176.9	-177.4	54.3	0	0	0	114	Q483 I484 K591 F598 E599	Q483-I595 HydrophobicContact CB-CB 4.37Å; Q483-I595 HydrophobicContact CB-CG2 3.6Å; I484-I595 HydrophobicContact CD1-CG1 4.22Å; I484-I595 HydrophobicContact CG1-CG1 4.24Å; I484-I595 HydrophobicContact CG1-CG2 3.87Å; K591-I595 HydrophobicContact CG-CD1 4.5Å; I595-F598 HydrophobicContact CD1-CD1 4.08Å; I595-F598 WeakPolarHBondContact O-CB 3.33Å; I595-F598 PolarHBondContact O-N 3.06Å; I595-E599 HydrophobicContact CD1-CG 4.18Å; I595-E599 HydrophobicContact CG1-CG 4.42Å; I595-E599 WeakPolarHBondContact O-CG 3.46Å; I595-E599 PolarHBondContact O-N 3.13Å
596	Y	97.1	Very high	97.1	Very high	14 Å²	14	14.9 Å²	14.9	6%	0.055	7%	0.072	C	C	.	.	H	α-helix	trans	-73.1	-29.2	-179.3	-67.1	-57.7	0	0	0	113.5	E487 H594 F598 E599 I600 L772 I776 F779	E487-Y596 HydrophobicContact CB-CE2 3.91Å; E487-Y596 HydrophobicContact CG-CD2 4.37Å; E487-Y596 HydrophobicContact CG-CE2 3.85Å; H594-Y596 VanDerWaalsContact C-N 3.3Å; H594-Y596 AromaticContact CE1-CD2 3.7Å; H594-Y596 AromaticContact ND1-CD2 3.96Å; H594-Y596 PolarHBondContact O-N 2.62Å; Y596-F598 VanDerWaalsContact C-N 3.3Å; Y596-F598 PolarHBondContact O-N 3.25Å; Y596-E599 PolarHBondContact O-N 3.31Å; Y596-I600 WeakPolarHBondContact O-CG2 3.32Å; Y596-I600 PolarHBondContact O-N 2.99Å; Y596-L772 HydrophobicContact CE1-CD1 4.36Å; Y596-I776 HydrophobicContact CD1-CG1 3.76Å; Y596-I776 HydrophobicContact CG-CG1 4.43Å; Y596-F779 VanDerWaalsContact CB-CD1 3.42Å; Y596-F779 HydrophobicContact CD2-CB 3.85Å; Y596-F779 HydrophobicContact CD2-CD1 4.42Å; Y596-F779 HydrophobicContact CD2-CD2 4.21Å; Y596-F779 AromaticContact CD2-CG 3.89Å; Y596-F779 HydrophobicContact CD2-CG 3.89Å; Y596-F779 HydrophobicContact CG-CB 4.2Å; Y596-F779 HydrophobicContact CG-CD1 4.31Å; Y596-F779 HydrophobicContact CG-CG 4.21Å
597	Q	98	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-39.4	168.5	-64.9	173.9	-15.7	0	0	111.4	E508 Y511 L590 N593 H594 I600 V601 F779 Y784	E508-Q597 PolarHBondContact OE2-NE2 3.41Å; Y511-Q597 HydrophobicContact CD1-CG 3.83Å; Y511-Q597 HydrophobicContact CD2-CB 3.75Å; Y511-Q597 HydrophobicContact CD2-CG 3.77Å; Y511-Q597 HydrophobicContact CE1-CG 3.74Å; Y511-Q597 HydrophobicContact CE2-CB 3.57Å; Y511-Q597 HydrophobicContact CE2-CG 3.64Å; Y511-Q597 HydrophobicContact CG-CB 4.3Å; Y511-Q597 HydrophobicContact CG-CG 3.84Å; L590-Q597 HydrophobicContact CB-CB 4.16Å; L590-Q597 HydrophobicContact CD2-CB 4.48Å; N593-Q597 PolarHBondContact ND2-NE2 3.3Å; N593-Q597 PolarHBondContact ND2-OE1 3.4Å; H594-Q597 HydrophobicContact CB-CB 4.38Å; H594-Q597 HydrophobicContact CB-CG 3.87Å; H594-Q597 WeakPolarHBondContact O-CB 3.18Å; H594-Q597 PolarHBondContact O-N 3.05Å; H594-Q597 VanDerWaalsContact O-N 3.09Å; Q597-I600 VanDerWaalsContact O-CG2 3.28Å; Q597-I600 WeakPolarHBondContact O-CG2 3.41Å; Q597-V601 WeakPolarHBondContact O-CG2 3.15Å; Q597-V601 PolarHBondContact O-N 3.34Å; Q597-F779 HydrophobicContact CG-CE1 4.08Å; Q597-F779 HydrophobicContact CG-CZ 4.26Å; Q597-Y784 PolarHBondContact NE2-OH 3.04Å
598	F	98.2	Very high	96.7	Very high	5 Å²	5	22 Å²	22	2%	0.022	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-41.8	171.7	159.5	-90.3	0	0	0	112.5	L587 K591 H594 I595 Y596 S602 K678	L587-F598 HydrophobicContact CB-CD2 4.24Å; L587-F598 HydrophobicContact CB-CE2 4.22Å; L587-F598 HydrophobicContact CD2-CD2 3.78Å; L587-F598 HydrophobicContact CD2-CE2 3.79Å; L587-F598 VanDerWaalsContact O-CD2 3.3Å; L587-F598 WeakPolarHBondContact O-CD2 3.48Å; K591-F598 HydrophobicContact CB-CB 3.62Å; K591-F598 HydrophobicContact CB-CD2 3.84Å; K591-F598 HydrophobicContact CB-CG 3.74Å; K591-F598 HydrophobicContact CD-CD1 4.09Å; K591-F598 HydrophobicContact CD-CD2 4.07Å; K591-F598 HydrophobicContact CD-CE1 4.29Å; K591-F598 HydrophobicContact CD-CE2 4.25Å; K591-F598 HydrophobicContact CD-CG 3.99Å; K591-F598 HydrophobicContact CD-CZ 4.37Å; K591-F598 HydrophobicContact CG-CB 3.97Å; K591-F598 HydrophobicContact CG-CD1 4.16Å; K591-F598 HydrophobicContact CG-CD2 4.19Å; K591-F598 HydrophobicContact CG-CG 3.81Å; K591-F598 VanDerWaalsContact NZ-CD1 3.26Å; K591-F598 VanDerWaalsContact NZ-CE1 3.28Å; H594-F598 PolarHBondContact O-N 2.81Å; I595-F598 HydrophobicContact CD1-CD1 4.08Å; I595-F598 WeakPolarHBondContact O-CB 3.33Å; I595-F598 PolarHBondContact O-N 3.06Å; Y596-F598 VanDerWaalsContact C-N 3.3Å; Y596-F598 PolarHBondContact O-N 3.25Å; F598-S602 WeakPolarHBondContact O-CB 3.49Å; F598-S602 PolarHBondContact O-N 2.8Å; F598-K678 HydrophobicContact CE2-CB 4.24Å; F598-K678 HydrophobicContact CZ-CB 4.36Å
599	E	97.3	Very high	96.6	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	13%	0.127	C	C	.	.	H	α-helix	trans	-70.2	-35	-176.3	-67.5	-71.4	177.1	0	0	112.5	I595 Y596 S602 Q603 K683 R686 L772 I776	I595-E599 HydrophobicContact CD1-CG 4.18Å; I595-E599 HydrophobicContact CG1-CG 4.42Å; I595-E599 WeakPolarHBondContact O-CG 3.46Å; I595-E599 PolarHBondContact O-N 3.13Å; Y596-E599 PolarHBondContact O-N 3.31Å; E599-S602 CarbonylContact O-C 3.6Å; E599-S602 WeakPolarHBondContact O-CB 3.44Å; E599-S602 PolarHBondContact O-N 2.72Å; E599-Q603 WeakPolarHBondContact O-CB 3.49Å; E599-Q603 WeakPolarHBondContact O-CG 3.49Å; E599-Q603 PolarHBondContact O-N 3.13Å; E599-K683 VanDerWaalsContact OE1-CE 3.24Å; E599-K683 WeakPolarHBondContact OE1-CE 3.41Å; E599-K683 IonicContact OE1-NZ 3.44Å; E599-K683 PolarHBondContact OE1-NZ 3.38Å; E599-K683 VanDerWaalsContact OE2-CE 3.31Å; E599-K683 WeakPolarHBondContact OE2-CE 3.32Å; E599-K683 IonicContact OE2-NZ 2.69Å; E599-K683 PolarHBondContact OE2-NZ 3.29Å; E599-R686 IonicContact OE2-NH1 2.92Å; E599-R686 IonicContact OE2-NH2 2.7Å; E599-L772 HydrophobicContact CB-CD1 4.22Å; E599-L772 HydrophobicContact CG-CD1 4.07Å; E599-I776 HydrophobicContact CB-CD1 3.75Å; E599-I776 HydrophobicContact CB-CG1 4.23Å
600	I	96.3	Very high	96.5	Very high	18 Å²	18	25.1 Å²	25.1	9%	0.092	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-46.1	174.3	-171.3	166.6	0	0	0	112.2	Y511 L515 L518 Y596 Q597 S602 Q603 H604 I776 N780	Y511-I600 HydrophobicContact CE2-CG2 3.89Å; Y511-I600 WeakPolarHBondContact OH-CG2 3.23Å; L515-I600 HydrophobicContact CD1-CD1 4.36Å; L518-I600 HydrophobicContact CD2-CD1 4.21Å; L518-I600 HydrophobicContact CD2-CG1 4.07Å; L518-I600 HydrophobicContact CD2-CG2 3.95Å; Y596-I600 WeakPolarHBondContact O-CG2 3.32Å; Y596-I600 PolarHBondContact O-N 2.99Å; Q597-I600 VanDerWaalsContact O-CG2 3.28Å; Q597-I600 WeakPolarHBondContact O-CG2 3.41Å; I600-S602 VanDerWaalsContact C-N 3.26Å; I600-S602 PolarHBondContact O-N 2.67Å; I600-Q603 PolarHBondContact O-N 3.21Å; I600-Q603 VanDerWaalsContact O-N 3.14Å; I600-H604 PolarHBondContact O-CD2 3.25Å; I600-H604 VanDerWaalsContact O-CD2 3.31Å; I600-H604 PolarHBondContact O-N 2.93Å; I600-I776 HydrophobicContact CB-CG2 3.74Å; I600-I776 HydrophobicContact CD1-CG2 3.97Å; I600-I776 HydrophobicContact CG1-CG2 4.11Å; I600-N780 WeakPolarHBondContact CD1-ND2 3.43Å
601	V	97.7	Very high	96.5	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.036	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-39.8	174.4	178.6	0	0	0	0	110.3	L518 V522 L587 L590 Q597 Q603 H604 L605	L518-V601 HydrophobicContact CD1-CG2 4.04Å; L518-V601 HydrophobicContact CD2-CG2 4Å; L518-V601 HydrophobicContact CG-CG2 4.42Å; V522-V601 HydrophobicContact CG2-CG1 4.38Å; L587-V601 HydrophobicContact CD2-CB 4.29Å; L587-V601 HydrophobicContact CD2-CG1 3.87Å; L590-V601 HydrophobicContact CD1-CG2 3.68Å; Q597-V601 WeakPolarHBondContact O-CG2 3.15Å; Q597-V601 PolarHBondContact O-N 3.34Å; V601-Q603 PolarHBondContact O-N 3.06Å; V601-H604 PolarHBondContact O-N 3.43Å; V601-L605 HydrophobicContact CG1-CD1 4.09Å; V601-L605 WeakPolarHBondContact O-CB 3.46Å; V601-L605 VanDerWaalsContact O-CG 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.18Å; V601-L605 PolarHBondContact O-N 3.26Å
602	S	97.6	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-36.1	175.2	-173.3	0	0	0	0	113	F598 E599 I600 V606 L679 R686	F598-S602 WeakPolarHBondContact O-CB 3.49Å; F598-S602 PolarHBondContact O-N 2.8Å; E599-S602 CarbonylContact O-C 3.6Å; E599-S602 WeakPolarHBondContact O-CB 3.44Å; E599-S602 PolarHBondContact O-N 2.72Å; I600-S602 VanDerWaalsContact C-N 3.26Å; I600-S602 PolarHBondContact O-N 2.67Å; S602-V606 WeakPolarHBondContact O-CG2 3.15Å; S602-V606 PolarHBondContact O-N 2.76Å; S602-L679 WeakPolarHBondContact OG-CD2 3.44Å; S602-R686 PolarHBondContact OG-NH1 2.97Å
603	Q	94.1	Very high	96.3	Very high	9 Å²	9	23 Å²	23	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-48.2	175.5	-83.2	-172.7	-19.5	0	0	110.8	E599 I600 V601 L605 V606 F607 I776	E599-Q603 WeakPolarHBondContact O-CB 3.49Å; E599-Q603 WeakPolarHBondContact O-CG 3.49Å; E599-Q603 PolarHBondContact O-N 3.13Å; I600-Q603 PolarHBondContact O-N 3.21Å; I600-Q603 VanDerWaalsContact O-N 3.14Å; V601-Q603 PolarHBondContact O-N 3.06Å; Q603-L605 VanDerWaalsContact C-N 3.3Å; Q603-L605 PolarHBondContact O-N 2.61Å; Q603-V606 PolarHBondContact O-N 3.01Å; Q603-F607 HydrophobicContact CB-CD2 4.27Å; Q603-F607 HydrophobicContact CB-CE2 3.86Å; Q603-F607 HydrophobicContact CB-CZ 4.49Å; Q603-F607 HydrophobicContact CG-CE2 4.39Å; Q603-F607 VanDerWaalsContact O-CD2 3.24Å; Q603-F607 WeakPolarHBondContact O-CD2 3.06Å; Q603-F607 WeakPolarHBondContact O-CG 3.15Å; Q603-F607 PolarHBondContact O-N 3.21Å; Q603-I776 HydrophobicContact CG-CD1 4.45Å
604	H	95.9	Very high	96.4	Very high	53 Å²	53	21.4 Å²	21.4	25%	0.245	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-41.5	175.2	-72.5	-53.1	0	0	0	112.4	V522 I600 V601 V606 A608	V522-H604 HydrophobicContact CB-CB 4.23Å; V522-H604 HydrophobicContact CG1-CB 4.04Å; V522-H604 HydrophobicContact CG2-CB 4.2Å; I600-H604 PolarHBondContact O-CD2 3.25Å; I600-H604 VanDerWaalsContact O-CD2 3.31Å; I600-H604 PolarHBondContact O-N 2.93Å; V601-H604 PolarHBondContact O-N 3.43Å; H604-V606 PolarHBondContact O-N 3.39Å; H604-A608 WeakPolarHBondContact O-CB 3.48Å; H604-A608 PolarHBondContact O-N 2.68Å
605	L	97.8	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-43.7	174.4	-77.5	165.9	0	0	0	112.1	V522 L526 L583 L587 V601 Q603 N609 C610 L679	V522-L605 HydrophobicContact CG1-CB 4.44Å; V522-L605 HydrophobicContact CG1-CD2 3.71Å; V522-L605 HydrophobicContact CG1-CG 3.85Å; L526-L605 HydrophobicContact CD1-CD2 4.08Å; L526-L605 HydrophobicContact CD2-CD2 4.01Å; L526-L605 HydrophobicContact CG-CD2 4.23Å; L583-L605 HydrophobicContact CD1-CD2 4.32Å; L583-L605 HydrophobicContact CD2-CD2 4.04Å; L587-L605 HydrophobicContact CD1-CD1 3.79Å; L587-L605 HydrophobicContact CD2-CD1 3.94Å; L587-L605 HydrophobicContact CG-CD1 4.18Å; V601-L605 HydrophobicContact CG1-CD1 4.09Å; V601-L605 WeakPolarHBondContact O-CB 3.46Å; V601-L605 VanDerWaalsContact O-CG 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.18Å; V601-L605 PolarHBondContact O-N 3.26Å; Q603-L605 VanDerWaalsContact C-N 3.3Å; Q603-L605 PolarHBondContact O-N 2.61Å; L605-N609 PolarHBondContact O-N 2.83Å; L605-C610 HydrophobicContact CB-CB 4Å; L605-C610 HydrophobicContact CD2-CB 4.18Å; L605-C610 WeakPolarHBondContact O-CB 3.16Å; L605-C610 PolarHBondContact O-N 3.48Å; L605-L679 HydrophobicContact CB-CD1 4.47Å; L605-L679 HydrophobicContact CB-CD2 4.11Å; L605-L679 HydrophobicContact CD1-CD2 4.01Å
606	V	94.8	Very high	96.2	Very high	12 Å²	12	24.4 Å²	24.4	7%	0.073	12%	0.123	C	C	.	.	H	α-helix	trans	-68	-46.4	-179.8	171.2	0	0	0	0	111.2	S602 Q603 H604 A608 N609 I611 L679 R686 M689	S602-V606 WeakPolarHBondContact O-CG2 3.15Å; S602-V606 PolarHBondContact O-N 2.76Å; Q603-V606 PolarHBondContact O-N 3.01Å; H604-V606 PolarHBondContact O-N 3.39Å; V606-A608 VanDerWaalsContact C-N 3.34Å; V606-A608 PolarHBondContact O-N 3.34Å; V606-N609 PolarHBondContact O-N 3.35Å; V606-N609 VanDerWaalsContact O-N 3.09Å; V606-I611 HydrophobicContact CG1-CD1 4.44Å; V606-I611 HydrophobicContact CG2-CD1 4.02Å; V606-I611 HydrophobicContact CG2-CG1 4.42Å; V606-L679 HydrophobicContact CG2-CB 4.38Å; V606-L679 HydrophobicContact CG2-CD1 4.36Å; V606-L679 HydrophobicContact CG2-CD2 4.43Å; V606-R686 HydrophobicContact CG1-CG 4.43Å; V606-R686 HydrophobicContact CG2-CG 4.46Å; V606-M689 HydrophobicContact CG1-CE 4.07Å; V606-M689 HydrophobicContact CG1-SD 3.96Å
607	F	92.8	Very high	96.1	Very high	129 Å²	129	24 Å²	24	57%	0.566	12%	0.121	S	C	*	.	H	α-helix	trans	-64.5	-36.2	177.4	-62.2	-38.7	0	0	0	112.5	Q603 N609	Q603-F607 HydrophobicContact CB-CD2 4.27Å; Q603-F607 HydrophobicContact CB-CE2 3.86Å; Q603-F607 HydrophobicContact CB-CZ 4.49Å; Q603-F607 HydrophobicContact CG-CE2 4.39Å; Q603-F607 VanDerWaalsContact O-CD2 3.24Å; Q603-F607 WeakPolarHBondContact O-CD2 3.06Å; Q603-F607 WeakPolarHBondContact O-CG 3.15Å; Q603-F607 PolarHBondContact O-N 3.21Å; F607-N609 PolarHBondContact O-N 2.72Å; F607-N609 VanDerWaalsContact O-N 3.14Å
608	A	94.7	Very high	96	Very high	28 Å²	28	24 Å²	24	23%	0.231	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	20.5	172.9	0	0	0	0	0	113.6	I523 L526 H604 V606 C610	I523-A608 HydrophobicContact CG1-CB 3.81Å; L526-A608 HydrophobicContact CD1-CB 3.53Å; L526-A608 WeakPolarHBondContact CD1-O 3.47Å; H604-A608 WeakPolarHBondContact O-CB 3.48Å; H604-A608 PolarHBondContact O-N 2.68Å; V606-A608 VanDerWaalsContact C-N 3.34Å; V606-A608 PolarHBondContact O-N 3.34Å; A608-C610 PolarHBondContact O-N 3.16Å
609	N	95.3	Very high	95.7	Very high	96 Å²	96	28 Å²	28	51%	0.513	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	28.6	172.4	-68.5	-61.7	0	0	0	115.7	L605 V606 F607 I611 P612 L613	L605-N609 PolarHBondContact O-N 2.83Å; V606-N609 PolarHBondContact O-N 3.35Å; V606-N609 VanDerWaalsContact O-N 3.09Å; F607-N609 PolarHBondContact O-N 2.72Å; F607-N609 VanDerWaalsContact O-N 3.14Å; N609-I611 VanDerWaalsContact C-N 3.32Å; N609-I611 PolarHBondContact O-N 2.86Å; N609-P612 HydrophobicContact CB-CG 3.88Å; N609-P612 VanDerWaalsContact O-CD 3.26Å; N609-P612 WeakPolarHBondContact O-CD 3.36Å; N609-P612 WeakPolarHBondContact O-CG 3.25Å; N609-L613 VanDerWaalsContact O-CB 3.31Å; N609-L613 WeakPolarHBondContact O-CB 3.48Å; N609-L613 PolarHBondContact O-N 2.92Å
610	C	97.4	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-38.9	176.2	-175.8	0	0	0	0	113	L526 L605 A608 L613 I614 L679	L526-C610 HydrophobicContact CD1-CB 3.93Å; L526-C610 HydrophobicContact CD2-CB 3.87Å; L605-C610 HydrophobicContact CB-CB 4Å; L605-C610 HydrophobicContact CD2-CB 4.18Å; L605-C610 WeakPolarHBondContact O-CB 3.16Å; L605-C610 PolarHBondContact O-N 3.48Å; A608-C610 PolarHBondContact O-N 3.16Å; C610-L613 PolarHBondContact O-N 3.04Å; C610-I614 WeakPolarHBondContact O-CG1 3.4Å; C610-I614 PolarHBondContact O-N 2.88Å; C610-I614 VanDerWaalsContact SG-CD1 3.6Å; C610-L679 HydrophobicContact CB-CD1 4.31Å
611	I	96.6	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-60.8	178.3	-68.2	179.9	0	0	0	111.5	V606 N609 L613 I614 L615 L676 L679 T680 R686 M689 L690 F693	V606-I611 HydrophobicContact CG1-CD1 4.44Å; V606-I611 HydrophobicContact CG2-CD1 4.02Å; V606-I611 HydrophobicContact CG2-CG1 4.42Å; N609-I611 VanDerWaalsContact C-N 3.32Å; N609-I611 PolarHBondContact O-N 2.86Å; I611-L613 VanDerWaalsContact C-N 3.28Å; I611-L613 PolarHBondContact O-N 3.42Å; I611-I614 PolarHBondContact O-N 3.06Å; I611-L615 HydrophobicContact CG2-CD1 4.27Å; I611-L615 WeakPolarHBondContact O-CG 3.49Å; I611-L615 PolarHBondContact O-N 3.37Å; I611-L676 HydrophobicContact CB-CD1 4.28Å; I611-L676 HydrophobicContact CG1-CD1 3.92Å; I611-L676 HydrophobicContact CG2-CD1 4.13Å; I611-L679 HydrophobicContact CG1-CD1 4.1Å; I611-T680 HydrophobicContact CD1-CG2 4.04Å; I611-R686 HydrophobicContact CD1-CB 4.19Å; I611-M689 HydrophobicContact CD1-CE 4.45Å; I611-M689 HydrophobicContact CD1-SD 4.27Å; I611-L690 HydrophobicContact CG2-CD2 3.88Å; I611-F693 HydrophobicContact CG2-CD2 4.37Å
612	P	95.7	Very high	95	Very high	27 Å²	27	33.1 Å²	33.1	18%	0.175	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-28.5	178.2	24.7	-34.1	0	0	0	113.1	N609 L615 K616 F693	N609-P612 HydrophobicContact CB-CG 3.88Å; N609-P612 VanDerWaalsContact O-CD 3.26Å; N609-P612 WeakPolarHBondContact O-CD 3.36Å; N609-P612 WeakPolarHBondContact O-CG 3.25Å; P612-L615 PolarHBondContact O-N 3.07Å; P612-K616 WeakPolarHBondContact O-CB 3.42Å; P612-K616 PolarHBondContact O-N 2.95Å; P612-F693 HydrophobicContact CB-CD1 4.19Å; P612-F693 HydrophobicContact CB-CD2 4.25Å; P612-F693 HydrophobicContact CB-CE1 3.92Å; P612-F693 HydrophobicContact CB-CE2 3.98Å; P612-F693 HydrophobicContact CB-CG 4.37Å; P612-F693 HydrophobicContact CB-CZ 3.81Å; P612-F693 HydrophobicContact CG-CE1 4.41Å; P612-F693 HydrophobicContact CG-CE2 3.97Å; P612-F693 HydrophobicContact CG-CZ 3.85Å
613	L	95.6	Very high	94.7	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.099	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-49.1	172.5	176.9	58.9	0	0	0	112.1	L526 L529 L530 N609 C610 I611 L615 K616 F617	L526-L613 HydrophobicContact CB-CD2 4.2Å; L526-L613 HydrophobicContact CD2-CD2 4.02Å; L529-L613 HydrophobicContact CB-CD2 4.28Å; L529-L613 HydrophobicContact CD2-CD2 3.96Å; L529-L613 HydrophobicContact CG-CD2 4.16Å; L530-L613 HydrophobicContact CB-CD1 3.84Å; L530-L613 HydrophobicContact CB-CD2 4.4Å; L530-L613 HydrophobicContact CD1-CD1 3.74Å; L530-L613 HydrophobicContact CG-CD1 4.32Å; N609-L613 VanDerWaalsContact O-CB 3.31Å; N609-L613 WeakPolarHBondContact O-CB 3.48Å; N609-L613 PolarHBondContact O-N 2.92Å; C610-L613 PolarHBondContact O-N 3.04Å; I611-L613 VanDerWaalsContact C-N 3.28Å; I611-L613 PolarHBondContact O-N 3.42Å; L613-L615 VanDerWaalsContact C-N 3.31Å; L613-L615 PolarHBondContact O-N 2.92Å; L613-K616 WeakPolarHBondContact O-CB 3.26Å; L613-K616 PolarHBondContact O-N 2.8Å; L613-F617 PolarHBondContact O-N 3.35Å
614	I	97.4	Very high	94.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-40.8	176.1	-68	171.3	0	0	0	110.3	C610 I611 K616 F617 F618 L672 I675 L676	C610-I614 WeakPolarHBondContact O-CG1 3.4Å; C610-I614 PolarHBondContact O-N 2.88Å; C610-I614 VanDerWaalsContact SG-CD1 3.6Å; I611-I614 PolarHBondContact O-N 3.06Å; I614-K616 PolarHBondContact O-N 2.97Å; I614-F617 WeakPolarHBondContact O-CB 3.46Å; I614-F617 PolarHBondContact O-N 3.38Å; I614-F618 HydrophobicContact CG2-CD2 3.8Å; I614-F618 HydrophobicContact CG2-CE2 3.94Å; I614-F618 WeakPolarHBondContact O-CD2 3.28Å; I614-F618 PolarHBondContact O-N 2.95Å; I614-L672 HydrophobicContact CD1-CD2 4.44Å; I614-L672 HydrophobicContact CG1-CB 4.44Å; I614-L672 HydrophobicContact CG1-CD2 4.22Å; I614-L672 HydrophobicContact CG2-CB 4.14Å; I614-I675 HydrophobicContact CD1-CB 4.37Å; I614-I675 HydrophobicContact CD1-CG2 4Å; I614-L676 HydrophobicContact CD1-CB 4.33Å; I614-L676 HydrophobicContact CG2-CB 4.33Å; I614-L676 HydrophobicContact CG2-CD2 3.93Å
615	L	95.9	Very high	94.4	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-38.8	176.6	-65.4	180	0	0	0	112.6	I611 P612 L613 F618 N619 L676 L690 F693 S695 I698	I611-L615 HydrophobicContact CG2-CD1 4.27Å; I611-L615 WeakPolarHBondContact O-CG 3.49Å; I611-L615 PolarHBondContact O-N 3.37Å; P612-L615 PolarHBondContact O-N 3.07Å; L613-L615 VanDerWaalsContact C-N 3.31Å; L613-L615 PolarHBondContact O-N 2.92Å; L615-F618 CarbonylContact O-C 3.6Å; L615-F618 PolarHBondContact O-N 2.79Å; L615-N619 WeakPolarHBondContact O-CB 3.5Å; L615-N619 PolarHBondContact O-N 3.19Å; L615-L676 HydrophobicContact CD2-CD2 4Å; L615-L690 HydrophobicContact CD1-CD2 4.13Å; L615-L690 HydrophobicContact CD2-CD2 4.38Å; L615-F693 HydrophobicContact CD1-CB 3.6Å; L615-F693 HydrophobicContact CD1-CG 4.38Å; L615-S695 VanDerWaalsContact CD2-CB 3.48Å; L615-I698 HydrophobicContact CB-CD1 4.43Å
616	K	93.8	Very high	94.2	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.335	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-44.8	172.4	-173.1	-165.8	173.9	-161.8	0	110.8	T535 S536 P612 L613 I614 F618 N619	T535-K616 WeakPolarHBondContact OG1-CE 3.39Å; S536-K616 PolarHBondContact OG-NZ 3.21Å; P612-K616 WeakPolarHBondContact O-CB 3.42Å; P612-K616 PolarHBondContact O-N 2.95Å; L613-K616 WeakPolarHBondContact O-CB 3.26Å; L613-K616 PolarHBondContact O-N 2.8Å; I614-K616 PolarHBondContact O-N 2.97Å; K616-F618 VanDerWaalsContact C-N 3.28Å; K616-F618 PolarHBondContact O-N 2.77Å; K616-N619 WeakPolarHBondContact O-CB 3.46Å; K616-N619 PolarHBondContact O-N 2.95Å
617	F	94.9	Very high	94	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-38	174.6	-176.5	-83	0	0	0	112.4	A533 V576 L613 I614 N619 Q620 Y625 L672	A533-F617 HydrophobicContact CB-CD2 4.15Å; V576-F617 HydrophobicContact CG1-CE2 3.72Å; V576-F617 HydrophobicContact CG1-CZ 3.85Å; V576-F617 HydrophobicContact CG2-CE2 4.19Å; L613-F617 PolarHBondContact O-N 3.35Å; I614-F617 WeakPolarHBondContact O-CB 3.46Å; I614-F617 PolarHBondContact O-N 3.38Å; F617-N619 VanDerWaalsContact C-N 3.32Å; F617-Q620 WeakPolarHBondContact O-CG 3.38Å; F617-Q620 PolarHBondContact O-NE2 2.91Å; F617-Y625 HydrophobicContact CE1-CD1 4.5Å; F617-Y625 AromaticContact CE1-CE1 3.91Å; F617-Y625 HydrophobicContact CE1-CE1 3.91Å; F617-Y625 HydrophobicContact CZ-CD1 4.39Å; F617-Y625 AromaticContact CZ-CE1 3.5Å; F617-Y625 HydrophobicContact CZ-CE1 3.5Å; F617-Y625 AromaticContact CZ-CZ 3.67Å; F617-L672 HydrophobicContact CD1-CD1 3.6Å; F617-L672 HydrophobicContact CD2-CD1 4.26Å; F617-L672 HydrophobicContact CE1-CD1 3.65Å; F617-L672 HydrophobicContact CE2-CD1 4.29Å; F617-L672 HydrophobicContact CG-CD1 3.92Å; F617-L672 HydrophobicContact CZ-CD1 4Å
618	F	95.6	Very high	93.8	Very high	1 Å²	1	35 Å²	35	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-79.7	-8.7	174.2	-81.7	-73.7	0	0	0	114.6	I614 L615 K616 Q620 I622 C669 L672 L673 I698 A702 M710	I614-F618 HydrophobicContact CG2-CD2 3.8Å; I614-F618 HydrophobicContact CG2-CE2 3.94Å; I614-F618 WeakPolarHBondContact O-CD2 3.28Å; I614-F618 PolarHBondContact O-N 2.95Å; L615-F618 CarbonylContact O-C 3.6Å; L615-F618 PolarHBondContact O-N 2.79Å; K616-F618 VanDerWaalsContact C-N 3.28Å; K616-F618 PolarHBondContact O-N 2.77Å; F618-Q620 PolarHBondContact O-N 3.48Å; F618-I622 HydrophobicContact CD1-CD1 3.67Å; F618-I622 HydrophobicContact CD1-CG1 4.07Å; F618-I622 HydrophobicContact CE1-CD1 4.28Å; F618-I622 HydrophobicContact CG-CD1 4.46Å; F618-C669 HydrophobicContact CE1-CB 4.03Å; F618-C669 HydrophobicContact CZ-CB 3.89Å; F618-C669 WeakPolarHBondContact CZ-O 3.22Å; F618-L672 HydrophobicContact CE2-CB 4.03Å; F618-L673 HydrophobicContact CE1-CD1 4.22Å; F618-L673 HydrophobicContact CE1-CG 4.31Å; F618-L673 HydrophobicContact CE2-CD2 4.02Å; F618-L673 HydrophobicContact CE2-CG 3.81Å; F618-L673 HydrophobicContact CZ-CD1 3.83Å; F618-L673 HydrophobicContact CZ-CD2 4.05Å; F618-L673 HydrophobicContact CZ-CG 3.55Å; F618-I698 HydrophobicContact CB-CG2 3.63Å; F618-I698 WeakPolarHBondContact O-CG2 3.46Å; F618-A702 HydrophobicContact CD1-CB 4.28Å; F618-M710 HydrophobicContact CE1-CE 3.88Å
619	N	93.5	Very high	93.5	Very high	88 Å²	88	39.3 Å²	39.3	47%	0.471	21%	0.212	S	C	.	.	S	Bend	trans	-84.8	44.8	-177.8	-165.8	22.5	0	0	0	113.2	L615 K616 F617 I698 R701	L615-N619 WeakPolarHBondContact O-CB 3.5Å; L615-N619 PolarHBondContact O-N 3.19Å; K616-N619 WeakPolarHBondContact O-CB 3.46Å; K616-N619 PolarHBondContact O-N 2.95Å; F617-N619 VanDerWaalsContact C-N 3.32Å; N619-I698 HydrophobicContact CB-CD1 4.24Å; N619-I698 HydrophobicContact CB-CG2 4.47Å; N619-R701 PolarHBondContact OD1-NH2 2.83Å
620	Q	91.2	Very high	93.3	Very high	38 Å²	38	35.8 Å²	35.8	18%	0.178	19%	0.193	C	C	.	.	S	Bend	trans	-138.7	-178	-179.8	62.4	-179.6	-25.9	0	0	111	T535 F617 F618 I622	T535-Q620 HydrophobicContact CG2-CB 3.92Å; T535-Q620 HydrophobicContact CG2-CG 4.41Å; F617-Q620 WeakPolarHBondContact O-CG 3.38Å; F617-Q620 PolarHBondContact O-NE2 2.91Å; F618-Q620 PolarHBondContact O-N 3.48Å; Q620-I622 HydrophobicContact CG-CD1 3.61Å; Q620-I622 PolarHBondContact O-N 2.88Å
621	N	92.1	Very high	92.9	Very high	101 Å²	101	37.3 Å²	37.3	54%	0.54	20%	0.203	S	C	.	.			trans	-76.7	91.4	170.5	-170.2	-9.6	0	0	0	110.1	M623 S624 Y625	N621-M623 VanDerWaalsContact C-N 3.26Å; N621-M623 PolarHBondContact O-N 3.43Å; N621-M623 PolarHBondContact OD1-N 2.76Å; N621-S624 VanDerWaalsContact CG-OG 3.31Å; N621-S624 PolarHBondContact ND2-OG 3.17Å; N621-S624 PolarHBondContact O-N 3.17Å; N621-S624 VanDerWaalsContact O-N 3.17Å; N621-S624 PolarHBondContact OD1-N 2.65Å; N621-Y625 PolarHBondContact O-N 3.45Å
622	I	93	Very high	92.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-31	-176.9	-56.7	-61.5	0	0	0	112.7	F618 Q620 Y625 I626 V705 M710	F618-I622 HydrophobicContact CD1-CD1 3.67Å; F618-I622 HydrophobicContact CD1-CG1 4.07Å; F618-I622 HydrophobicContact CE1-CD1 4.28Å; F618-I622 HydrophobicContact CG-CD1 4.46Å; Q620-I622 HydrophobicContact CG-CD1 3.61Å; Q620-I622 PolarHBondContact O-N 2.88Å; I622-Y625 PolarHBondContact O-N 2.92Å; I622-I626 HydrophobicContact CG2-CG2 4.32Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 2.82Å; I622-V705 HydrophobicContact CG2-CG2 3.84Å; I622-M710 HydrophobicContact CG2-CE 3.74Å
623	M	90.6	Very high	92.1	Very high	69 Å²	69	38.7 Å²	38.7	34%	0.34	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-47.1	174.4	-66.9	-60	-57	0	0	110.9	N621 Y625 I626 S627 K704 V705	N621-M623 VanDerWaalsContact C-N 3.26Å; N621-M623 PolarHBondContact O-N 3.43Å; N621-M623 PolarHBondContact OD1-N 2.76Å; M623-Y625 VanDerWaalsContact C-N 3.32Å; M623-Y625 PolarHBondContact O-N 2.89Å; M623-I626 WeakPolarHBondContact O-CG1 3.12Å; M623-I626 PolarHBondContact O-N 2.8Å; M623-I626 HydrophobicContact SD-CD1 4.4Å; M623-S627 WeakPolarHBondContact O-CB 3.42Å; M623-S627 PolarHBondContact O-N 3.15Å; M623-S627 PolarHBondContact O-OG 2.97Å; M623-K704 HydrophobicContact CG-CB 4.25Å; M623-K704 HydrophobicContact SD-CB 4.17Å; M623-V705 HydrophobicContact SD-CB 4.38Å; M623-V705 HydrophobicContact SD-CG2 3.77Å
624	S	91.4	Very high	91.7	Very high	71 Å²	71	39.9 Å²	39.9	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-36.8	175.8	-59.2	0	0	0	0	112.6	N621 A628	N621-S624 VanDerWaalsContact CG-OG 3.31Å; N621-S624 PolarHBondContact ND2-OG 3.17Å; N621-S624 PolarHBondContact O-N 3.17Å; N621-S624 VanDerWaalsContact O-N 3.17Å; N621-S624 PolarHBondContact OD1-N 2.65Å; S624-A628 PolarHBondContact O-N 3.24Å; S624-A628 VanDerWaalsContact O-N 3.12Å
625	Y	92.8	Very high	91.3	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-46.8	176.5	177.1	-114.5	0	0	0	112.2	P534 F617 N621 I622 M623 S627 A628 N665	P534-Y625 HydrophobicContact CG-CD2 3.82Å; P534-Y625 HydrophobicContact CG-CE2 3.58Å; F617-Y625 HydrophobicContact CE1-CD1 4.5Å; F617-Y625 AromaticContact CE1-CE1 3.91Å; F617-Y625 HydrophobicContact CE1-CE1 3.91Å; F617-Y625 HydrophobicContact CZ-CD1 4.39Å; F617-Y625 AromaticContact CZ-CE1 3.5Å; F617-Y625 HydrophobicContact CZ-CE1 3.5Å; F617-Y625 AromaticContact CZ-CZ 3.67Å; N621-Y625 PolarHBondContact O-N 3.45Å; I622-Y625 PolarHBondContact O-N 2.92Å; M623-Y625 VanDerWaalsContact C-N 3.32Å; M623-Y625 PolarHBondContact O-N 2.89Å; Y625-S627 VanDerWaalsContact C-N 3.29Å; Y625-S627 PolarHBondContact O-N 3.4Å; Y625-A628 WeakPolarHBondContact O-CB 3.32Å; Y625-A628 PolarHBondContact O-N 3.27Å; Y625-N665 HydrophobicContact CD1-CB 4.08Å; Y625-N665 HydrophobicContact CE1-CB 3.6Å; Y625-N665 HydrophobicContact CE2-CB 4.23Å; Y625-N665 VanDerWaalsContact CZ-OD1 3.32Å; Y625-N665 PolarHBondContact O-ND2 2.94Å; Y625-N665 PolarHBondContact OH-OD1 3.09Å
626	I	92.3	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.1	-23	178.2	68.9	169.6	0	0	0	113.1	L45 I622 M623 F661 C662 V705	L45-I626 HydrophobicContact CD1-CD1 4Å; I622-I626 HydrophobicContact CG2-CG2 4.32Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 2.82Å; M623-I626 WeakPolarHBondContact O-CG1 3.12Å; M623-I626 PolarHBondContact O-N 2.8Å; M623-I626 HydrophobicContact SD-CD1 4.4Å; I626-F661 CarbonylContact O-C 3.54Å; I626-F661 WeakPolarHBondContact O-CA 3.45Å; I626-F661 WeakPolarHBondContact O-CB 3.45Å; I626-C662 PolarHBondContact O-N 3.36Å; I626-V705 HydrophobicContact CD1-CB 4.22Å; I626-V705 HydrophobicContact CD1-CG1 3.54Å; I626-V705 HydrophobicContact CD1-CG2 3.71Å
627	S	90.6	Very high	91.2	Very high	58 Å²	58	38.1 Å²	38.1	41%	0.406	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	15	176.4	-61	0	0	0	0	113.4	M623 Y625 K629 Q660	M623-S627 WeakPolarHBondContact O-CB 3.42Å; M623-S627 PolarHBondContact O-N 3.15Å; M623-S627 PolarHBondContact O-OG 2.97Å; Y625-S627 VanDerWaalsContact C-N 3.29Å; Y625-S627 PolarHBondContact O-N 3.4Å; S627-K629 PolarHBondContact O-N 3.15Å; S627-Q660 PolarHBondContact OG-O 3.32Å
628	A	90	Very high	91.2	Very high	26 Å²	26	38 Å²	38	22%	0.215	21%	0.214	C	C	.	.			trans	-68.6	128.5	176	0	0	0	0	0	111	S624 Y625 C662	S624-A628 PolarHBondContact O-N 3.24Å; S624-A628 VanDerWaalsContact O-N 3.12Å; Y625-A628 WeakPolarHBondContact O-CB 3.32Å; Y625-A628 PolarHBondContact O-N 3.27Å; A628-C662 WeakPolarHBondContact O-CB 3.3Å
629	K	88.2	Confident	91	Very high	119 Å²	119	40.8 Å²	40.8	52%	0.517	23%	0.227	S	C	.	.			trans	-95.9	88.8	175	-66.9	-159.9	178.7	-159.4	0	110	S627 G656 D657	S627-K629 PolarHBondContact O-N 3.15Å; K629-G656 PolarHBondContact NZ-O 2.97Å; K629-D657 PolarHBondContact NZ-O 3.24Å
630	N	90.6	Very high	90.9	Very high	23 Å²	23	37.4 Å²	37.4	12%	0.123	21%	0.21	C	C	.	.			trans	-114	52.6	175.7	-64.4	-56	0	0	0	110.9	N569 R570 E573 R664	N569-N630 HydrophobicContact CB-CB 4.21Å; N569-N630 VanDerWaalsContact CB-CG 3.47Å; N569-N630 WeakPolarHBondContact CB-OD1 3.44Å; R570-N630 HydrophobicContact CB-CB 4.21Å; R570-N630 VanDerWaalsContact CB-O 3.24Å; R570-N630 WeakPolarHBondContact CB-O 3.33Å; R570-N630 WeakPolarHBondContact CD-O 3.37Å; R570-N630 WeakPolarHBondContact CG-O 3.36Å; E573-N630 PolarHBondContact OE1-ND2 2.94Å; N630-R664 PolarHBondContact O-NH2 2.98Å
631	S	88.8	Confident	90.9	Very high	31 Å²	31	36.9 Å²	36.9	22%	0.217	21%	0.21	C	C	.	.			trans	-153.3	141.1	176.5	-58	0	0	0	0	109.5	Y65 R664	Y65-S631 WeakPolarHBondContact OH-CA 3.35Å; S631-R664 PolarHBondContact OG-NH1 2.99Å; S631-R664 PolarHBondContact OG-NH2 3.29Å
632	I	89.4	Confident	90.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.193	C	C	.	.			trans	-121.6	96.8	-176.3	-56.2	164.6	0	0	0	105.9	Y65 K563 I566 V634 L635 D636 L653	Y65-I632 HydrophobicContact CD2-CD1 3.91Å; Y65-I632 HydrophobicContact CD2-CG1 4.49Å; Y65-I632 HydrophobicContact CE2-CB 4.03Å; Y65-I632 HydrophobicContact CE2-CD1 3.89Å; Y65-I632 HydrophobicContact CE2-CG1 3.98Å; Y65-I632 PolarHBondContact OH-N 2.87Å; K563-I632 HydrophobicContact CG-CD1 4.38Å; I566-I632 HydrophobicContact CB-CD1 4.32Å; I566-I632 HydrophobicContact CD1-CD1 4.11Å; I566-I632 HydrophobicContact CD1-CG1 4.35Å; I566-I632 HydrophobicContact CG2-CD1 3.92Å; I566-I632 HydrophobicContact CG2-CG1 3.95Å; I632-V634 HydrophobicContact CG2-CG2 3.8Å; I632-V634 PolarHBondContact O-N 3.33Å; I632-V634 VanDerWaalsContact O-N 3.17Å; I632-L635 HydrophobicContact CB-CB 4.31Å; I632-L635 HydrophobicContact CB-CD1 4.11Å; I632-L635 HydrophobicContact CB-CG 4.21Å; I632-L635 HydrophobicContact CD1-CD1 3.9Å; I632-L635 HydrophobicContact CG2-CB 4.26Å; I632-L635 HydrophobicContact CG2-CD1 3.85Å; I632-L635 HydrophobicContact CG2-CG 3.72Å; I632-L635 PolarHBondContact O-N 2.88Å; I632-D636 PolarHBondContact O-N 3.34Å; I632-L653 HydrophobicContact CD1-CD2 3.55Å; I632-L653 HydrophobicContact CG1-CD2 4.16Å; I632-L653 HydrophobicContact CG2-CD2 4.42Å
633	C	86.7	Confident	90.6	Very high	52 Å²	52	37.4 Å²	37.4	35%	0.351	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.8	-35.8	-168.2	-58.1	0	0	0	0	113.2	L635 D636	C633-L635 PolarHBondContact O-N 3.47Å; C633-D636 WeakPolarHBondContact CA-OD2 3.42Å; C633-D636 PolarHBondContact O-N 3.07Å; C633-D636 VanDerWaalsContact O-N 3.17Å
634	V	87.3	Confident	89.9	Confident	44 Å²	44	43.3 Å²	43.3	27%	0.267	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.2	-12.7	176.8	-60.9	0	0	0	0	114.4	I632 C640 P646	I632-V634 HydrophobicContact CG2-CG2 3.8Å; I632-V634 PolarHBondContact O-N 3.33Å; I632-V634 VanDerWaalsContact O-N 3.17Å; V634-C640 WeakPolarHBondContact O-CB 3.31Å; V634-P646 HydrophobicContact CG1-CG 4.37Å
635	L	89.6	Confident	88.9	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.063	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-107.7	-3.6	176.4	-58.2	-176.3	0	0	0	113	Y65 K563 I632 C633 C640 M645	Y65-L635 HydrophobicContact CD1-CB 3.5Å; Y65-L635 HydrophobicContact CD1-CD1 4.22Å; Y65-L635 HydrophobicContact CD2-CD1 4.41Å; Y65-L635 HydrophobicContact CE1-CB 3.64Å; Y65-L635 HydrophobicContact CG-CB 4.17Å; Y65-L635 HydrophobicContact CG-CD1 4.03Å; K563-L635 HydrophobicContact CD-CD1 4.1Å; K563-L635 HydrophobicContact CG-CD1 4.35Å; I632-L635 HydrophobicContact CB-CB 4.31Å; I632-L635 HydrophobicContact CB-CD1 4.11Å; I632-L635 HydrophobicContact CB-CG 4.21Å; I632-L635 HydrophobicContact CD1-CD1 3.9Å; I632-L635 HydrophobicContact CG2-CB 4.26Å; I632-L635 HydrophobicContact CG2-CD1 3.85Å; I632-L635 HydrophobicContact CG2-CG 3.72Å; I632-L635 PolarHBondContact O-N 2.88Å; C633-L635 PolarHBondContact O-N 3.47Å; L635-C640 PolarHBondContact O-SG 3.19Å; L635-C640 VanDerWaalsContact O-SG 3.37Å; L635-M645 HydrophobicContact CD2-CE 3.36Å; L635-M645 HydrophobicContact CD2-SD 3.71Å
636	D	92.3	Very high	87.7	Confident	29 Å²	29	45.9 Å²	45.9	16%	0.155	25%	0.249	C	C	.	.	S	Bend	trans	-77.4	135.3	-179.8	-71.9	-36.6	0	0	0	110.1	S60 Y65 R570 I632 C633 H639 C640	S60-D636 WeakPolarHBondContact OG-CB 3.39Å; S60-D636 PolarHBondContact OG-OD1 2.94Å; Y65-D636 VanDerWaalsContact CE1-OD1 3.28Å; Y65-D636 WeakPolarHBondContact CE1-OD1 3.39Å; Y65-D636 PolarHBondContact OH-OD1 2.91Å; R570-D636 IonicContact NH2-OD1 2.76Å; R570-D636 PolarHBondContact NH2-OD1 3.47Å; I632-D636 PolarHBondContact O-N 3.34Å; C633-D636 WeakPolarHBondContact CA-OD2 3.42Å; C633-D636 PolarHBondContact O-N 3.07Å; C633-D636 VanDerWaalsContact O-N 3.17Å; D636-H639 VanDerWaalsContact O-CB 3.29Å; D636-H639 WeakPolarHBondContact O-CB 3.41Å; D636-H639 PolarHBondContact O-N 2.97Å; D636-C640 PolarHBondContact O-N 2.98Å; D636-C640 VanDerWaalsContact O-N 3.09Å; D636-C640 PolarHBondContact O-SG 3.39Å
637	F	94	Very high	86.7	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.026	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	137.5	175.1	178	-87.8	0	0	0	110.2	L59 Y63 F71 Q130 V142 V641	L59-F637 HydrophobicContact CB-CD1 4.17Å; L59-F637 HydrophobicContact CD1-CE1 4.43Å; Y63-F637 HydrophobicContact CD2-CB 3.95Å; Y63-F637 HydrophobicContact CD2-CD1 4.46Å; Y63-F637 HydrophobicContact CD2-CG 4.12Å; Y63-F637 HydrophobicContact CE2-CB 4.38Å; Y63-F637 HydrophobicContact CE2-CD1 4.11Å; Y63-F637 HydrophobicContact CE2-CD2 4.43Å; Y63-F637 HydrophobicContact CE2-CG 4.05Å; F71-F637 HydrophobicContact CD1-CD2 4.28Å; F71-F637 HydrophobicContact CD1-CE2 4.43Å; F71-F637 AromaticContact CE1-CD2 3.46Å; F71-F637 HydrophobicContact CE1-CD2 3.46Å; F71-F637 VanDerWaalsContact CE1-CD2 3.46Å; F71-F637 AromaticContact CE1-CE2 3.88Å; F71-F637 HydrophobicContact CE1-CE2 3.88Å; F71-F637 HydrophobicContact CE1-CG 4.3Å; F71-F637 HydrophobicContact CZ-CB 4.17Å; F71-F637 AromaticContact CZ-CD2 3.7Å; F71-F637 HydrophobicContact CZ-CD2 3.7Å; F71-F637 HydrophobicContact CZ-CG 4.24Å; Q130-F637 HydrophobicContact CB-CE2 4.38Å; Q130-F637 HydrophobicContact CB-CZ 4.2Å; Q130-F637 HydrophobicContact CG-CE2 4.46Å; Q130-F637 HydrophobicContact CG-CZ 4.37Å; V142-F637 HydrophobicContact CG1-CZ 4.18Å; F637-V641 HydrophobicContact CD2-CG1 4.17Å; F637-V641 HydrophobicContact CD2-CG2 3.91Å; F637-V641 HydrophobicContact CE2-CG1 4.39Å; F637-V641 HydrophobicContact CE2-CG2 3.72Å
638	P	94.4	Very high	85.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.3	-3.2	7.6	35.9	-36.4	0	0	0	115.7	E139 V142 C640 V641 V642	E139-P638 HydrophobicContact CB-CG 3.9Å; E139-P638 HydrophobicContact CG-CG 3.99Å; V142-P638 HydrophobicContact CB-CB 4.29Å; V142-P638 HydrophobicContact CG1-CB 3.94Å; P638-C640 VanDerWaalsContact C-N 3.29Å; P638-C640 PolarHBondContact O-N 3.49Å; P638-V641 HydrophobicContact CB-CG2 4.36Å; P638-V641 WeakPolarHBondContact O-CG2 3.24Å; P638-V641 PolarHBondContact O-N 3.45Å; P638-V641 VanDerWaalsContact O-N 3.1Å; P638-V642 PolarHBondContact O-N 2.98Å
639	H	91.9	Very high	85.3	Confident	60 Å²	60	56 Å²	56	28%	0.278	29%	0.292	S	S	.	.	H	α-helix	trans	-51.9	-45.3	-176.1	-171.2	85	0	0	0	113.3	E139 D636 V641 V642 H643	E139-H639 WeakPolarHBondContact OE1-CB 3.35Å; E139-H639 IonicContact OE1-CE1 2.64Å; E139-H639 IonicContact OE1-CG 3.43Å; E139-H639 IonicContact OE1-ND1 2.72Å; E139-H639 PolarHBondContact OE1-ND1 2.89Å; D636-H639 VanDerWaalsContact O-CB 3.29Å; D636-H639 WeakPolarHBondContact O-CB 3.41Å; D636-H639 PolarHBondContact O-N 2.97Å; H639-V641 PolarHBondContact O-N 3.01Å; H639-V642 PolarHBondContact O-N 3.27Å; H639-H643 AromaticContact CE1-CD2 3.26Å; H639-H643 PolarHBondContact CE1-CD2 3.36Å; H639-H643 AromaticContact CE1-CG 3.99Å; H639-H643 AromaticContact CE1-NE2 3.9Å; H639-H643 AromaticContact CG-CD2 3.9Å; H639-H643 AromaticContact ND1-CD2 3.34Å; H639-H643 PolarHBondContact ND1-CD2 3.26Å; H639-H643 VanDerWaalsContact ND1-CD2 3.34Å; H639-H643 AromaticContact ND1-NE2 3.9Å; H639-H643 AromaticContact NE2-CD2 3.81Å; H639-H643 PolarHBondContact O-N 2.78Å; H639-H643 VanDerWaalsContact O-N 3.13Å
640	C	91.3	Very high	84.6	Confident	16 Å²	16	52.9 Å²	52.9	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-10.8	-177.2	63.1	0	0	0	0	115.9	V634 L635 D636 P638	V634-C640 WeakPolarHBondContact O-CB 3.31Å; L635-C640 PolarHBondContact O-SG 3.19Å; L635-C640 VanDerWaalsContact O-SG 3.37Å; D636-C640 PolarHBondContact O-N 2.98Å; D636-C640 VanDerWaalsContact O-N 3.09Å; D636-C640 PolarHBondContact O-SG 3.39Å; P638-C640 VanDerWaalsContact C-N 3.29Å; P638-C640 PolarHBondContact O-N 3.49Å
641	V	92.6	Very high	83.7	Confident	27 Å²	27	59.6 Å²	59.6	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-106.3	-9.9	176.6	-62	0	0	0	0	113.7	F71 F133 F637 P638 H639	F71-V641 HydrophobicContact CB-CG1 3.92Å; F71-V641 HydrophobicContact CD1-CG1 3.91Å; F71-V641 HydrophobicContact CD2-CG1 3.88Å; F71-V641 HydrophobicContact CE1-CG1 4.38Å; F71-V641 HydrophobicContact CE2-CG1 4.38Å; F71-V641 HydrophobicContact CG-CG1 3.66Å; F133-V641 HydrophobicContact CB-CB 4.09Å; F133-V641 HydrophobicContact CB-CG2 3.61Å; F133-V641 HydrophobicContact CD1-CB 4.1Å; F133-V641 HydrophobicContact CD1-CG1 4.34Å; F133-V641 HydrophobicContact CD1-CG2 3.93Å; F133-V641 HydrophobicContact CD2-CB 3.66Å; F133-V641 HydrophobicContact CD2-CG1 4.33Å; F133-V641 HydrophobicContact CD2-CG2 4.15Å; F133-V641 HydrophobicContact CE1-CB 4.48Å; F133-V641 HydrophobicContact CE1-CG1 4.29Å; F133-V641 HydrophobicContact CE2-CB 4.08Å; F133-V641 HydrophobicContact CE2-CG1 4.29Å; F133-V641 HydrophobicContact CG-CB 3.67Å; F133-V641 HydrophobicContact CG-CG1 4.36Å; F133-V641 HydrophobicContact CG-CG2 3.63Å; F133-V641 HydrophobicContact CZ-CB 4.48Å; F133-V641 HydrophobicContact CZ-CG1 4.28Å; F637-V641 HydrophobicContact CD2-CG1 4.17Å; F637-V641 HydrophobicContact CD2-CG2 3.91Å; F637-V641 HydrophobicContact CE2-CG1 4.39Å; F637-V641 HydrophobicContact CE2-CG2 3.72Å; P638-V641 HydrophobicContact CB-CG2 4.36Å; P638-V641 WeakPolarHBondContact O-CG2 3.24Å; P638-V641 PolarHBondContact O-N 3.45Å; P638-V641 VanDerWaalsContact O-N 3.1Å; H639-V641 PolarHBondContact O-N 3.01Å
642	V	90.6	Very high	82.8	Confident	31 Å²	31	59.1 Å²	59.1	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-101	-36.9	177.7	177.8	0	0	0	0	111.6	E139 V142 P638 H639	E139-V642 HydrophobicContact CG-CG2 4.41Å; V142-V642 HydrophobicContact CG2-CG2 3.54Å; P638-V642 PolarHBondContact O-N 2.98Å; H639-V642 PolarHBondContact O-N 3.27Å
643	H	86.6	Confident	81.9	Confident	89 Å²	89	59.7 Å²	59.7	41%	0.412	32%	0.318	S	S	.	.	S	Bend	trans	-104.1	140.8	-175.2	-62.2	-65.1	0	0	0	111.9	H639 M645	H639-H643 AromaticContact CE1-CD2 3.26Å; H639-H643 PolarHBondContact CE1-CD2 3.36Å; H639-H643 AromaticContact CE1-CG 3.99Å; H639-H643 AromaticContact CE1-NE2 3.9Å; H639-H643 AromaticContact CG-CD2 3.9Å; H639-H643 AromaticContact ND1-CD2 3.34Å; H639-H643 PolarHBondContact ND1-CD2 3.26Å; H639-H643 VanDerWaalsContact ND1-CD2 3.34Å; H639-H643 AromaticContact ND1-NE2 3.9Å; H639-H643 AromaticContact NE2-CD2 3.81Å; H639-H643 PolarHBondContact O-N 2.78Å; H639-H643 VanDerWaalsContact O-N 3.13Å; H643-M645 PolarHBondContact O-N 3.45Å; H643-M645 VanDerWaalsContact O-N 3.15Å
644	E	76.3	Confident	81	Confident	193 Å²	193	64.3 Å²	64.3	90%	0.902	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-55.8	121.1	171.6	-72.1	-171.6	157.4	0	0	109.9	P646	E644-P646 WeakPolarHBondContact O-CD 3.15Å
645	M	70.1	Confident	79.7	Confident	74 Å²	74	65.8 Å²	65.8	37%	0.365	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-62.8	122.3	178.3	-90.8	-168.2	53.3	0	0	110.3	E68 L635 H643 L648	E68-M645 HydrophobicContact CG-SD 4.29Å; L635-M645 HydrophobicContact CD2-CE 3.36Å; L635-M645 HydrophobicContact CD2-SD 3.71Å; H643-M645 PolarHBondContact O-N 3.45Å; H643-M645 VanDerWaalsContact O-N 3.15Å; M645-L648 HydrophobicContact CE-CD1 4.06Å
646	P	68.6	Low	78.1	Confident	69 Å²	69	66 Å²	66	45%	0.448	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-64.7	154.7	173	27.8	-34.1	0	0	0	110.4	V634 E644 L648	V634-P646 HydrophobicContact CG1-CG 4.37Å; E644-P646 WeakPolarHBondContact O-CD 3.15Å; P646-L648 PolarHBondContact O-N 2.76Å
647	E	70.8	Confident	76.5	Confident	174 Å²	174	69.1 Å²	69.1	81%	0.813	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-52.9	128.8	172.2	-73.4	-168.8	168.2	0	0	110.1	T649	E647-T649 PolarHBondContact O-N 2.82Å
648	L	72.4	Confident	75	Confident	58 Å²	58	76.2 Å²	76.2	30%	0.304	41%	0.412	S	S	.	.			trans	-66.7	114.3	-176.4	-132.5	128.5	0	0	0	108	L559 M645 P646 L653	L559-L648 HydrophobicContact CD2-CB 3.78Å; L559-L648 HydrophobicContact CD2-CD2 3.57Å; L559-L648 HydrophobicContact CD2-CG 4.28Å; L559-L648 WeakPolarHBondContact CD2-O 3.22Å; L559-L648 HydrophobicContact CG-CD2 3.79Å; M645-L648 HydrophobicContact CE-CD1 4.06Å; P646-L648 PolarHBondContact O-N 2.76Å; L648-L653 HydrophobicContact CD2-CD1 4.37Å; L648-L653 HydrophobicContact CD2-CD2 4.07Å; L648-L653 HydrophobicContact CD2-CG 4.28Å
649	T	78.7	Confident	73.8	Confident	65 Å²	65	80.7 Å²	80.7	40%	0.399	44%	0.436	S	S	.	.			trans	-123.1	161.8	179.7	54.8	0	0	0	0	110.3	E647 E651 S652 L653	E647-T649 PolarHBondContact O-N 2.82Å; T649-E651 PolarHBondContact O-N 3.4Å; T649-S652 PolarHBondContact N-OG 3.33Å; T649-S652 PolarHBondContact O-N 2.86Å; T649-S652 PolarHBondContact O-OG 3.35Å; T649-S652 WeakPolarHBondContact OG1-CB 2.94Å; T649-S652 PolarHBondContact OG1-N 2.97Å; T649-S652 VanDerWaalsContact OG1-N 3.08Å; T649-S652 PolarHBondContact OG1-OG 3.46Å; T649-L653 PolarHBondContact O-N 2.99Å
650	A	74.7	Confident	73.1	Confident	53 Å²	53	83.1 Å²	83.1	44%	0.438	45%	0.447	S	S	.	.	H	α-helix	trans	-60.1	-39.4	173	0	0	0	0	0	111	L653 E654	A650-L653 PolarHBondContact O-N 3.46Å; A650-E654 PolarHBondContact O-N 2.92Å; A650-E654 VanDerWaalsContact O-N 3.16Å
651	E	70.9	Confident	72.8	Confident	163 Å²	163	83.7 Å²	83.7	76%	0.762	45%	0.448	S	S	*	.	H	α-helix	trans	-63.4	-41.3	176.3	-63.4	-179.7	-173.2	0	0	111.8	T649 L653 E654 A655	T649-E651 PolarHBondContact O-N 3.4Å; E651-L653 VanDerWaalsContact C-N 3.27Å; E651-L653 PolarHBondContact O-N 2.84Å; E651-E654 PolarHBondContact O-N 3.24Å; E651-E654 VanDerWaalsContact O-N 3.15Å; E651-A655 WeakPolarHBondContact O-CB 3.42Å; E651-A655 PolarHBondContact O-N 2.84Å
652	S	70.1	Confident	72.8	Confident	22 Å²	22	83.1 Å²	83.1	15%	0.154	45%	0.445	C	S	.	.	H	α-helix	trans	-66.9	-24.3	175.8	66.3	0	0	0	0	114.2	T649	T649-S652 PolarHBondContact N-OG 3.33Å; T649-S652 PolarHBondContact O-N 2.86Å; T649-S652 PolarHBondContact O-OG 3.35Å; T649-S652 WeakPolarHBondContact OG1-CB 2.94Å; T649-S652 PolarHBondContact OG1-N 2.97Å; T649-S652 VanDerWaalsContact OG1-N 3.08Å; T649-S652 PolarHBondContact OG1-OG 3.46Å
653	L	70.9	Confident	72.9	Confident	15 Å²	15	83.5 Å²	83.5	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-78.3	-28.5	173.2	-69.9	176	0	0	0	112.4	L559 M562 I566 I632 L648 T649 A650 E651	L559-L653 HydrophobicContact CD1-CD1 3.47Å; L559-L653 VanDerWaalsContact CD1-CD1 3.47Å; L559-L653 HydrophobicContact CD1-CG 4.43Å; L559-L653 HydrophobicContact CG-CD1 4.02Å; M562-L653 HydrophobicContact CB-CD1 4.06Å; M562-L653 HydrophobicContact CE-CD1 4.46Å; I566-L653 HydrophobicContact CD1-CD2 4.31Å; I632-L653 HydrophobicContact CD1-CD2 3.55Å; I632-L653 HydrophobicContact CG1-CD2 4.16Å; I632-L653 HydrophobicContact CG2-CD2 4.42Å; L648-L653 HydrophobicContact CD2-CD1 4.37Å; L648-L653 HydrophobicContact CD2-CD2 4.07Å; L648-L653 HydrophobicContact CD2-CG 4.28Å; T649-L653 PolarHBondContact O-N 2.99Å; A650-L653 PolarHBondContact O-N 3.46Å; E651-L653 VanDerWaalsContact C-N 3.27Å; E651-L653 PolarHBondContact O-N 2.84Å
654	E	66.4	Low	73.2	Confident	149 Å²	149	80.4 Å²	80.4	70%	0.696	43%	0.427	S	S	*	.	H	α-helix	trans	-92.2	-19.3	178.4	-67.3	-173.3	-175.2	0	0	113.1	A650 E651 G656	A650-E654 PolarHBondContact O-N 2.92Å; A650-E654 VanDerWaalsContact O-N 3.16Å; E651-E654 PolarHBondContact O-N 3.24Å; E651-E654 VanDerWaalsContact O-N 3.15Å; E654-G656 PolarHBondContact O-N 3.45Å
655	A	61.2	Low	74.1	Confident	76 Å²	76	71.2 Å²	71.2	63%	0.628	38%	0.384	S	S	*	.			trans	-70.9	52	173	0	0	0	0	0	112.9	E651	E651-A655 WeakPolarHBondContact O-CB 3.42Å; E651-A655 PolarHBondContact O-N 2.84Å
656	G	56.4	Low	75.3	Confident	17 Å²	17	67.7 Å²	67.7	18%	0.175	37%	0.367	C	S	.	.			trans	-89.9	155.9	169	0	0	0	0	0	111.9	K629 E654	K629-G656 PolarHBondContact NZ-O 2.97Å; E654-G656 PolarHBondContact O-N 3.45Å
657	D	58.3	Low	76.6	Confident	94 Å²	94	64.4 Å²	64.4	50%	0.503	35%	0.346	S	S	.	.			trans	-41.1	147.5	-176.2	-158.5	-7	0	0	0	114.6	K629 N659	K629-D657 PolarHBondContact NZ-O 3.24Å; D657-N659 VanDerWaalsContact CG-ND2 3.34Å; D657-N659 PolarHBondContact O-N 2.92Å; D657-N659 PolarHBondContact OD2-ND2 3.11Å
658	N	61.3	Low	77.9	Confident	155 Å²	155	56.1 Å²	56.1	83%	0.829	31%	0.307	S	S	*	.			trans	-73.5	8.5	-178.7	-83.3	-42.8	0	0	0	113.4	Q660	N658-Q660 PolarHBondContact O-N 2.85Å
659	N	70.2	Confident	79.1	Confident	95 Å²	95	53.4 Å²	53.4	51%	0.508	29%	0.293	S	S	.	.			trans	-58	130.1	176.1	-71	-29.7	0	0	0	112	D657 F661	D657-N659 VanDerWaalsContact CG-ND2 3.34Å; D657-N659 PolarHBondContact O-N 2.92Å; D657-N659 PolarHBondContact OD2-ND2 3.11Å; N659-F661 PolarHBondContact O-N 2.95Å
660	Q	76.9	Confident	79.9	Confident	110 Å²	110	50.3 Å²	50.3	51%	0.514	27%	0.274	S	S	.	.	S	Bend	trans	-71.9	-12.9	-179.9	-59.8	173.4	22.6	0	0	112.6	L45 S627 N658	L45-Q660 HydrophobicContact CD2-CB 4.28Å; S627-Q660 PolarHBondContact OG-O 3.32Å; N658-Q660 PolarHBondContact O-N 2.85Å
661	F	85.9	Confident	81	Confident	29 Å²	29	47.8 Å²	47.8	13%	0.127	25%	0.253	C	S	.	.	S	Bend	trans	-152.1	153.6	-176.6	65.9	-86.9	0	0	0	111.6	L45 E46 F47 I626 N659 L666	L45-F661 HydrophobicContact CB-CD1 4.17Å; L45-F661 HydrophobicContact CB-CE1 4.21Å; L45-F661 HydrophobicContact CD1-CD1 4.48Å; L45-F661 HydrophobicContact CD2-CD1 3.89Å; L45-F661 HydrophobicContact CG-CD1 4.39Å; E46-F661 WeakPolarHBondContact O-CZ 3.46Å; F47-F661 HydrophobicContact CB-CE1 4.4Å; F47-F661 HydrophobicContact CB-CE2 4.11Å; F47-F661 HydrophobicContact CB-CZ 3.75Å; F47-F661 HydrophobicContact CD2-CD2 4.43Å; F47-F661 AromaticContact CD2-CE2 3.53Å; F47-F661 HydrophobicContact CD2-CE2 3.53Å; F47-F661 AromaticContact CD2-CZ 3.96Å; F47-F661 HydrophobicContact CD2-CZ 3.96Å; F47-F661 HydrophobicContact CE2-CE2 4.38Å; F47-F661 HydrophobicContact CG-CE2 4.22Å; F47-F661 HydrophobicContact CG-CZ 4.33Å; I626-F661 CarbonylContact O-C 3.54Å; I626-F661 WeakPolarHBondContact O-CA 3.45Å; I626-F661 WeakPolarHBondContact O-CB 3.45Å; N659-F661 PolarHBondContact O-N 2.95Å; F661-L666 HydrophobicContact CD2-CB 4.28Å; F661-L666 HydrophobicContact CD2-CD2 3.6Å; F661-L666 HydrophobicContact CE2-CD2 3.89Å; F661-L666 HydrophobicContact CG-CD2 4.06Å
662	C	90.8	Very high	82.4	Confident	14 Å²	14	40 Å²	40	10%	0.095	22%	0.217	C	C	.	.			trans	-83.1	121.2	167.2	170.2	0	0	0	0	109.8	I626 A628 R664 N665 L666	I626-C662 PolarHBondContact O-N 3.36Å; A628-C662 WeakPolarHBondContact O-CB 3.3Å; C662-R664 PolarHBondContact O-N 3.22Å; C662-N665 HydrophobicContact CB-CB 4.23Å; C662-N665 PolarHBondContact O-N 3.18Å; C662-L666 PolarHBondContact O-N 3.38Å
663	W	92.8	Very high	83.7	Confident	40 Å²	40	39 Å²	39	15%	0.152	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-47.5	-179.4	-170.7	108.4	0	0	0	111.7	F47 D53 K577 N665 L666 F667	F47-W663 AromaticContact CD2-CD1 3.79Å; F47-W663 HydrophobicContact CD2-CG 4.39Å; F47-W663 AromaticContact CE2-CD1 3.44Å; F47-W663 VanDerWaalsContact CE2-CD1 3.44Å; F47-W663 HydrophobicContact CE2-CD2 4.06Å; F47-W663 AromaticContact CE2-CE2 3.88Å; F47-W663 AromaticContact CE2-CG 3.77Å; F47-W663 HydrophobicContact CE2-CG 3.77Å; F47-W663 AromaticContact CE2-NE1 3.46Å; D53-W663 HydrophobicContact CB-CD2 4.04Å; D53-W663 HydrophobicContact CB-CE3 4.02Å; D53-W663 HydrophobicContact CB-CH2 4.05Å; D53-W663 HydrophobicContact CB-CZ2 4.02Å; D53-W663 HydrophobicContact CB-CZ3 4.05Å; D53-W663 WeakPolarHBondContact OD2-CB 3.27Å; K577-W663 HydrophobicContact CD-CZ3 4.08Å; W663-N665 VanDerWaalsContact C-N 3.3Å; W663-N665 PolarHBondContact O-N 2.83Å; W663-L666 PolarHBondContact O-N 2.73Å; W663-F667 HydrophobicContact CD2-CB 4.27Å; W663-F667 HydrophobicContact CE3-CB 3.78Å; W663-F667 HydrophobicContact CE3-CG 4.15Å; W663-F667 HydrophobicContact CH2-CB 4Å; W663-F667 AromaticContact CH2-CD1 3.99Å; W663-F667 HydrophobicContact CH2-CD1 3.99Å; W663-F667 AromaticContact CH2-CD2 3.43Å; W663-F667 HydrophobicContact CH2-CD2 3.43Å; W663-F667 VanDerWaalsContact CH2-CD2 3.43Å; W663-F667 HydrophobicContact CH2-CE1 4.24Å; W663-F667 AromaticContact CH2-CE2 3.75Å; W663-F667 HydrophobicContact CH2-CE2 3.75Å; W663-F667 AromaticContact CH2-CG 3.56Å; W663-F667 HydrophobicContact CH2-CG 3.56Å; W663-F667 HydrophobicContact CH2-CZ 4.13Å; W663-F667 HydrophobicContact CZ2-CB 4.49Å; W663-F667 AromaticContact CZ2-CD2 3.99Å; W663-F667 HydrophobicContact CZ2-CD2 3.99Å; W663-F667 HydrophobicContact CZ2-CE2 4.48Å; W663-F667 HydrophobicContact CZ2-CG 4.34Å; W663-F667 HydrophobicContact CZ3-CB 3.61Å; W663-F667 AromaticContact CZ3-CD1 3.62Å; W663-F667 HydrophobicContact CZ3-CD1 3.62Å; W663-F667 AromaticContact CZ3-CD2 3.85Å; W663-F667 HydrophobicContact CZ3-CD2 3.85Å; W663-F667 HydrophobicContact CZ3-CE1 4.14Å; W663-F667 HydrophobicContact CZ3-CE2 4.38Å; W663-F667 AromaticContact CZ3-CG 3.44Å; W663-F667 HydrophobicContact CZ3-CG 3.44Å; W663-F667 VanDerWaalsContact CZ3-CG 3.44Å; W663-F667 HydrophobicContact CZ3-CZ 4.49Å; W663-F667 VanDerWaalsContact O-CB 3.24Å; W663-F667 WeakPolarHBondContact O-CB 3.34Å; W663-F667 PolarHBondContact O-N 3.29Å
664	R	93.9	Very high	85	Confident	23 Å²	23	39.1 Å²	39.1	9%	0.087	21%	0.209	C	C	.	.	H	α-helix	trans	-52	-46.6	179.1	-60.5	-178.3	-72.2	-84.4	-1.2	112.4	E61 E573 K577 N630 S631 C662 S668	E61-R664 WeakPolarHBondContact OE1-CD 3.46Å; E61-R664 WeakPolarHBondContact OE1-CG 3.44Å; E61-R664 IonicContact OE1-NH1 3.43Å; E573-R664 HydrophobicContact CB-CB 4.4Å; E573-R664 IonicContact OE2-CZ 2.73Å; E573-R664 VanDerWaalsContact OE2-CZ 3.3Å; E573-R664 IonicContact OE2-NE 2.89Å; E573-R664 PolarHBondContact OE2-NE 2.93Å; E573-R664 IonicContact OE2-NH2 2.71Å; E573-R664 PolarHBondContact OE2-NH2 3.49Å; K577-R664 HydrophobicContact CB-CB 4.48Å; K577-R664 HydrophobicContact CD-CB 4.16Å; K577-R664 HydrophobicContact CD-CG 3.8Å; N630-R664 PolarHBondContact O-NH2 2.98Å; S631-R664 PolarHBondContact OG-NH1 2.99Å; S631-R664 PolarHBondContact OG-NH2 3.29Å; C662-R664 PolarHBondContact O-N 3.22Å; R664-S668 WeakPolarHBondContact O-CB 3.49Å; R664-S668 PolarHBondContact O-N 2.82Å; R664-S668 PolarHBondContact O-OG 3.12Å
665	N	95.1	Very high	86.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.8	-40.5	-174.6	-67.9	-8.6	0	0	0	111.4	E573 Y625 C662 W663 C669	E573-N665 WeakPolarHBondContact CB-OD1 3.45Å; E573-N665 VanDerWaalsContact CD-ND2 3.29Å; E573-N665 VanDerWaalsContact CD-OD1 3.24Å; E573-N665 WeakPolarHBondContact CG-OD1 3.15Å; E573-N665 PolarHBondContact OE1-ND2 3.42Å; Y625-N665 HydrophobicContact CD1-CB 4.08Å; Y625-N665 HydrophobicContact CE1-CB 3.6Å; Y625-N665 HydrophobicContact CE2-CB 4.23Å; Y625-N665 VanDerWaalsContact CZ-OD1 3.32Å; Y625-N665 PolarHBondContact O-ND2 2.94Å; Y625-N665 PolarHBondContact OH-OD1 3.09Å; C662-N665 HydrophobicContact CB-CB 4.23Å; C662-N665 PolarHBondContact O-N 3.18Å; W663-N665 VanDerWaalsContact C-N 3.3Å; W663-N665 PolarHBondContact O-N 2.83Å; N665-C669 WeakPolarHBondContact O-CB 3.32Å; N665-C669 PolarHBondContact O-N 3.44Å; N665-C669 PolarHBondContact O-SG 3.15Å; N665-C669 VanDerWaalsContact O-SG 3.35Å
666	L	94.9	Very high	88.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-44.5	176.9	-176.9	53.8	0	0	0	112	L45 F47 F661 C662 W663 C669 I670 V705 Q707 M710	L45-L666 HydrophobicContact CD1-CD2 4.26Å; F47-L666 HydrophobicContact CB-CD2 3.82Å; F47-L666 HydrophobicContact CD1-CD2 3.91Å; F47-L666 HydrophobicContact CD1-CG 4.18Å; F47-L666 HydrophobicContact CD2-CD2 3.69Å; F47-L666 HydrophobicContact CD2-CG 4.24Å; F47-L666 HydrophobicContact CE1-CD2 4.37Å; F47-L666 HydrophobicContact CE1-CG 4.16Å; F47-L666 HydrophobicContact CE2-CB 4.35Å; F47-L666 HydrophobicContact CE2-CD2 4.14Å; F47-L666 HydrophobicContact CE2-CG 4.2Å; F47-L666 HydrophobicContact CG-CD2 3.52Å; F47-L666 HydrophobicContact CG-CG 4.2Å; F47-L666 HydrophobicContact CZ-CD2 4.47Å; F47-L666 HydrophobicContact CZ-CG 4.16Å; F661-L666 HydrophobicContact CD2-CB 4.28Å; F661-L666 HydrophobicContact CD2-CD2 3.6Å; F661-L666 HydrophobicContact CE2-CD2 3.89Å; F661-L666 HydrophobicContact CG-CD2 4.06Å; C662-L666 PolarHBondContact O-N 3.38Å; W663-L666 PolarHBondContact O-N 2.73Å; L666-C669 PolarHBondContact O-N 2.93Å; L666-I670 HydrophobicContact CD1-CD1 4.25Å; L666-I670 HydrophobicContact CG-CD1 4.26Å; L666-I670 WeakPolarHBondContact O-CG1 3.22Å; L666-I670 PolarHBondContact O-N 2.81Å; L666-V705 HydrophobicContact CD1-CG1 4.15Å; L666-Q707 HydrophobicContact CD1-CB 4.35Å; L666-Q707 HydrophobicContact CD1-CG 4.36Å; L666-Q707 HydrophobicContact CD2-CG 4.25Å; L666-M710 HydrophobicContact CD1-SD 3.93Å
667	F	96.1	Very high	90.3	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-48.9	172.6	174.9	-104.9	0	0	0	111.5	F47 Y49 W268 K577 A581 W663 C669 I670 N671	F47-F667 HydrophobicContact CZ-CB 4.16Å; Y49-F667 AromaticContact CD2-CD2 3.94Å; Y49-F667 HydrophobicContact CD2-CD2 3.94Å; Y49-F667 HydrophobicContact CD2-CE2 4.48Å; Y49-F667 AromaticContact CE2-CD2 3.57Å; Y49-F667 HydrophobicContact CE2-CD2 3.57Å; Y49-F667 AromaticContact CE2-CE2 3.89Å; Y49-F667 HydrophobicContact CE2-CE2 3.89Å; W268-F667 HydrophobicContact CH2-CE1 4.27Å; W268-F667 HydrophobicContact CH2-CZ 4.47Å; W268-F667 HydrophobicContact CZ2-CE1 4.16Å; W268-F667 HydrophobicContact CZ2-CZ 4.03Å; K577-F667 HydrophobicContact CD-CD1 4.49Å; K577-F667 HydrophobicContact CG-CD1 3.9Å; K577-F667 HydrophobicContact CG-CE1 3.94Å; A581-F667 HydrophobicContact CB-CE1 3.82Å; A581-F667 HydrophobicContact CB-CZ 3.89Å; W663-F667 HydrophobicContact CD2-CB 4.27Å; W663-F667 HydrophobicContact CE3-CB 3.78Å; W663-F667 HydrophobicContact CE3-CG 4.15Å; W663-F667 HydrophobicContact CH2-CB 4Å; W663-F667 AromaticContact CH2-CD1 3.99Å; W663-F667 HydrophobicContact CH2-CD1 3.99Å; W663-F667 AromaticContact CH2-CD2 3.43Å; W663-F667 HydrophobicContact CH2-CD2 3.43Å; W663-F667 VanDerWaalsContact CH2-CD2 3.43Å; W663-F667 HydrophobicContact CH2-CE1 4.24Å; W663-F667 AromaticContact CH2-CE2 3.75Å; W663-F667 HydrophobicContact CH2-CE2 3.75Å; W663-F667 AromaticContact CH2-CG 3.56Å; W663-F667 HydrophobicContact CH2-CG 3.56Å; W663-F667 HydrophobicContact CH2-CZ 4.13Å; W663-F667 HydrophobicContact CZ2-CB 4.49Å; W663-F667 AromaticContact CZ2-CD2 3.99Å; W663-F667 HydrophobicContact CZ2-CD2 3.99Å; W663-F667 HydrophobicContact CZ2-CE2 4.48Å; W663-F667 HydrophobicContact CZ2-CG 4.34Å; W663-F667 HydrophobicContact CZ3-CB 3.61Å; W663-F667 AromaticContact CZ3-CD1 3.62Å; W663-F667 HydrophobicContact CZ3-CD1 3.62Å; W663-F667 AromaticContact CZ3-CD2 3.85Å; W663-F667 HydrophobicContact CZ3-CD2 3.85Å; W663-F667 HydrophobicContact CZ3-CE1 4.14Å; W663-F667 HydrophobicContact CZ3-CE2 4.38Å; W663-F667 AromaticContact CZ3-CG 3.44Å; W663-F667 HydrophobicContact CZ3-CG 3.44Å; W663-F667 VanDerWaalsContact CZ3-CG 3.44Å; W663-F667 HydrophobicContact CZ3-CZ 4.49Å; W663-F667 VanDerWaalsContact O-CB 3.24Å; W663-F667 WeakPolarHBondContact O-CB 3.34Å; W663-F667 PolarHBondContact O-N 3.29Å; F667-C669 PolarHBondContact O-N 3.4Å; F667-I670 PolarHBondContact O-N 3.02Å; F667-N671 WeakPolarHBondContact CD1-ND2 2.96Å; F667-N671 WeakPolarHBondContact CE1-ND2 3.24Å; F667-N671 WeakPolarHBondContact CZ-ND2 3.43Å; F667-N671 VanDerWaalsContact O-CG 3.26Å; F667-N671 PolarHBondContact O-N 3.43Å
668	S	97.4	Very high	92.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-48.5	175.3	-66.5	0	0	0	0	112.5	K577 R664 I670 N671 L672	K577-S668 VanDerWaalsContact CA-OG 3.26Å; K577-S668 WeakPolarHBondContact CA-OG 3.49Å; K577-S668 PolarHBondContact N-OG 3.35Å; R664-S668 WeakPolarHBondContact O-CB 3.49Å; R664-S668 PolarHBondContact O-N 2.82Å; R664-S668 PolarHBondContact O-OG 3.12Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.49Å; S668-N671 PolarHBondContact O-N 2.67Å; S668-L672 WeakPolarHBondContact O-CG 3.38Å; S668-L672 PolarHBondContact O-N 3.17Å
669	C	97.4	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-45.5	176.5	-79.3	0	0	0	0	111.8	F618 N665 L666 F667 L673 M710	F618-C669 HydrophobicContact CE1-CB 4.03Å; F618-C669 HydrophobicContact CZ-CB 3.89Å; F618-C669 WeakPolarHBondContact CZ-O 3.22Å; N665-C669 WeakPolarHBondContact O-CB 3.32Å; N665-C669 PolarHBondContact O-N 3.44Å; N665-C669 PolarHBondContact O-SG 3.15Å; N665-C669 VanDerWaalsContact O-SG 3.35Å; L666-C669 PolarHBondContact O-N 2.93Å; F667-C669 PolarHBondContact O-N 3.4Å; C669-L673 WeakPolarHBondContact O-CB 3.4Å; C669-L673 WeakPolarHBondContact O-CD1 3.41Å; C669-L673 VanDerWaalsContact O-CG 3.28Å; C669-L673 WeakPolarHBondContact O-CG 3.3Å; C669-L673 PolarHBondContact O-N 2.98Å; C669-L673 VanDerWaalsContact O-N 3.07Å; C669-M710 HydrophobicContact CB-CE 3.91Å; C669-M710 HydrophobicContact CB-SD 4.1Å
670	I	97.1	Very high	95.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.5	-44.5	177.3	-68.9	162.6	0	0	0	110.6	F47 Y49 L666 F667 S668 L673 R674 M709 M710	F47-I670 HydrophobicContact CD1-CD1 4.13Å; F47-I670 HydrophobicContact CE1-CD1 3.42Å; F47-I670 VanDerWaalsContact CE1-CD1 3.42Å; F47-I670 HydrophobicContact CZ-CD1 4.18Å; Y49-I670 HydrophobicContact CD2-CB 4.39Å; Y49-I670 HydrophobicContact CD2-CD1 4.05Å; Y49-I670 HydrophobicContact CD2-CG2 3.94Å; Y49-I670 HydrophobicContact CE1-CG2 4.35Å; Y49-I670 HydrophobicContact CE2-CB 3.99Å; Y49-I670 HydrophobicContact CE2-CD1 4.5Å; Y49-I670 HydrophobicContact CE2-CG2 3.45Å; Y49-I670 VanDerWaalsContact CE2-CG2 3.45Å; L666-I670 HydrophobicContact CD1-CD1 4.25Å; L666-I670 HydrophobicContact CG-CD1 4.26Å; L666-I670 WeakPolarHBondContact O-CG1 3.22Å; L666-I670 PolarHBondContact O-N 2.81Å; F667-I670 PolarHBondContact O-N 3.02Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.49Å; I670-L673 PolarHBondContact O-N 2.98Å; I670-R674 HydrophobicContact CG2-CG 4.36Å; I670-R674 WeakPolarHBondContact O-CB 3.49Å; I670-R674 VanDerWaalsContact O-CG 3.25Å; I670-R674 WeakPolarHBondContact O-CG 3.37Å; I670-R674 PolarHBondContact O-N 2.92Å; I670-M709 HydrophobicContact CD1-CB 4.28Å; I670-M709 HydrophobicContact CG2-CB 4.5Å; I670-M709 HydrophobicContact CG2-CG 3.72Å; I670-M710 HydrophobicContact CG1-CB 3.85Å
671	N	98.3	Very high	95.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-49	179.8	-70.5	-13.5	0	0	0	112.3	Y49 S580 L584 F667 S668 L673 R674 I675	Y49-N671 PolarHBondContact OH-OD1 3.47Å; S580-N671 WeakPolarHBondContact OG-CB 3.47Å; S580-N671 PolarHBondContact OG-ND2 2.77Å; L584-N671 HydrophobicContact CD2-CB 4.17Å; L584-N671 WeakPolarHBondContact CD2-OD1 3.45Å; F667-N671 WeakPolarHBondContact CD1-ND2 2.96Å; F667-N671 WeakPolarHBondContact CE1-ND2 3.24Å; F667-N671 WeakPolarHBondContact CZ-ND2 3.43Å; F667-N671 VanDerWaalsContact O-CG 3.26Å; F667-N671 PolarHBondContact O-N 3.43Å; S668-N671 PolarHBondContact O-N 2.67Å; N671-L673 VanDerWaalsContact C-N 3.32Å; N671-L673 PolarHBondContact O-N 3.1Å; N671-R674 WeakPolarHBondContact O-CA 3.36Å; N671-R674 WeakPolarHBondContact O-CB 3.46Å; N671-R674 PolarHBondContact O-N 3.06Å; N671-I675 WeakPolarHBondContact O-CG1 3.42Å; N671-I675 PolarHBondContact O-N 3.11Å
672	L	98.4	Very high	95.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-38.6	178.3	-64.2	175.6	0	0	0	111.8	L529 V576 I614 F617 F618 S668 I675 L676	L529-L672 HydrophobicContact CD1-CD2 4.49Å; L529-L672 HydrophobicContact CD2-CD2 4.03Å; V576-L672 HydrophobicContact CG1-CD1 4.45Å; I614-L672 HydrophobicContact CD1-CD2 4.44Å; I614-L672 HydrophobicContact CG1-CB 4.44Å; I614-L672 HydrophobicContact CG1-CD2 4.22Å; I614-L672 HydrophobicContact CG2-CB 4.14Å; F617-L672 HydrophobicContact CD1-CD1 3.6Å; F617-L672 HydrophobicContact CD2-CD1 4.26Å; F617-L672 HydrophobicContact CE1-CD1 3.65Å; F617-L672 HydrophobicContact CE2-CD1 4.29Å; F617-L672 HydrophobicContact CG-CD1 3.92Å; F617-L672 HydrophobicContact CZ-CD1 4Å; F618-L672 HydrophobicContact CE2-CB 4.03Å; S668-L672 WeakPolarHBondContact O-CG 3.38Å; S668-L672 PolarHBondContact O-N 3.17Å; L672-I675 HydrophobicContact CD2-CD1 4.41Å; L672-I675 PolarHBondContact O-N 3.2Å; L672-L676 WeakPolarHBondContact O-CB 3.2Å; L672-L676 PolarHBondContact O-N 3.26Å
673	L	98.3	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.3	-36.5	172.7	-71.9	163.9	0	0	0	112.6	F618 C669 I670 N671 N677 L699 M710 V714 L717	F618-L673 HydrophobicContact CE1-CD1 4.22Å; F618-L673 HydrophobicContact CE1-CG 4.31Å; F618-L673 HydrophobicContact CE2-CD2 4.02Å; F618-L673 HydrophobicContact CE2-CG 3.81Å; F618-L673 HydrophobicContact CZ-CD1 3.83Å; F618-L673 HydrophobicContact CZ-CD2 4.05Å; F618-L673 HydrophobicContact CZ-CG 3.55Å; C669-L673 WeakPolarHBondContact O-CB 3.4Å; C669-L673 WeakPolarHBondContact O-CD1 3.41Å; C669-L673 VanDerWaalsContact O-CG 3.28Å; C669-L673 WeakPolarHBondContact O-CG 3.3Å; C669-L673 PolarHBondContact O-N 2.98Å; C669-L673 VanDerWaalsContact O-N 3.07Å; I670-L673 PolarHBondContact O-N 2.98Å; N671-L673 VanDerWaalsContact C-N 3.32Å; N671-L673 PolarHBondContact O-N 3.1Å; L673-N677 WeakPolarHBondContact O-CB 3.34Å; L673-N677 PolarHBondContact O-N 3.18Å; L673-N677 PolarHBondContact O-ND2 2.7Å; L673-L699 HydrophobicContact CD2-CD2 3.92Å; L673-M710 HydrophobicContact CD1-CE 4.27Å; L673-M710 HydrophobicContact CD1-CG 3.68Å; L673-V714 HydrophobicContact CD1-CG2 3.64Å; L673-V714 HydrophobicContact CD2-CG2 3.8Å; L673-V714 HydrophobicContact CG-CG2 4.38Å; L673-L717 HydrophobicContact CD2-CD1 3.8Å
674	R	98.1	Very high	95.7	Very high	18 Å²	18	21 Å²	21	7%	0.068	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-40.1	174.9	-73.1	178.2	87.5	-162.6	11.2	111.9	Y49 F278 L584 I670 N671 K678 Y713	Y49-R674 VanDerWaalsContact CE1-NH1 3.3Å; Y49-R674 WeakPolarHBondContact OH-CD 3.39Å; Y49-R674 PolarHBondContact OH-NH1 2.99Å; F278-R674 VanDerWaalsContact CE2-NH1 3.29Å; L584-R674 HydrophobicContact CD1-CB 3.78Å; L584-R674 HydrophobicContact CD2-CB 3.93Å; L584-R674 HydrophobicContact CD2-CG 4.49Å; I670-R674 HydrophobicContact CG2-CG 4.36Å; I670-R674 WeakPolarHBondContact O-CB 3.49Å; I670-R674 VanDerWaalsContact O-CG 3.25Å; I670-R674 WeakPolarHBondContact O-CG 3.37Å; I670-R674 PolarHBondContact O-N 2.92Å; N671-R674 WeakPolarHBondContact O-CA 3.36Å; N671-R674 WeakPolarHBondContact O-CB 3.46Å; N671-R674 PolarHBondContact O-N 3.06Å; R674-K678 WeakPolarHBondContact O-CG 3.35Å; R674-K678 PolarHBondContact O-N 2.71Å; R674-Y713 HydrophobicContact CG-CD1 4.12Å; R674-Y713 HydrophobicContact CG-CD2 3.58Å; R674-Y713 HydrophobicContact CG-CE1 3.91Å; R674-Y713 HydrophobicContact CG-CE2 3.36Å; R674-Y713 HydrophobicContact CG-CG 3.98Å; R674-Y713 PolarHBondContact NE-OH 3.23Å
675	I	98.6	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-53.3	172.4	-67.7	164	0	0	0	109.3	S580 L583 L584 L587 I614 N671 L672 N677 K678 L679	S580-I675 WeakPolarHBondContact O-CD1 3.3Å; L583-I675 HydrophobicContact CB-CD1 3.71Å; L583-I675 HydrophobicContact CD1-CD1 4.49Å; L584-I675 HydrophobicContact CB-CD1 4.29Å; L584-I675 HydrophobicContact CB-CG1 4.09Å; L584-I675 HydrophobicContact CD1-CG1 4.25Å; L587-I675 HydrophobicContact CD1-CG1 4.27Å; L587-I675 HydrophobicContact CD1-CG2 3.99Å; I614-I675 HydrophobicContact CD1-CB 4.37Å; I614-I675 HydrophobicContact CD1-CG2 4Å; N671-I675 WeakPolarHBondContact O-CG1 3.42Å; N671-I675 PolarHBondContact O-N 3.11Å; L672-I675 HydrophobicContact CD2-CD1 4.41Å; L672-I675 PolarHBondContact O-N 3.2Å; I675-N677 VanDerWaalsContact C-N 3.27Å; I675-N677 PolarHBondContact O-N 3.28Å; I675-K678 WeakPolarHBondContact O-CA 3.13Å; I675-K678 WeakPolarHBondContact O-CB 3.4Å; I675-K678 PolarHBondContact O-N 2.95Å; I675-L679 HydrophobicContact CG2-CD1 4.1Å; I675-L679 HydrophobicContact CG2-CG 4.23Å; I675-L679 WeakPolarHBondContact O-CG 3.43Å; I675-L679 PolarHBondContact O-N 3.36Å
676	L	98.3	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-38	-179.2	-168.7	59.3	0	0	0	112.6	I611 I614 L615 L672 T680 L690 L717	I611-L676 HydrophobicContact CB-CD1 4.28Å; I611-L676 HydrophobicContact CG1-CD1 3.92Å; I611-L676 HydrophobicContact CG2-CD1 4.13Å; I614-L676 HydrophobicContact CD1-CB 4.33Å; I614-L676 HydrophobicContact CG2-CB 4.33Å; I614-L676 HydrophobicContact CG2-CD2 3.93Å; L615-L676 HydrophobicContact CD2-CD2 4Å; L672-L676 WeakPolarHBondContact O-CB 3.2Å; L672-L676 PolarHBondContact O-N 3.26Å; L676-T680 HydrophobicContact CD1-CG2 4.45Å; L676-T680 WeakPolarHBondContact O-CG2 3.47Å; L676-T680 PolarHBondContact O-N 3.05Å; L676-T680 PolarHBondContact O-OG1 3.27Å; L676-L690 HydrophobicContact CD1-CD2 3.99Å; L676-L690 HydrophobicContact CD2-CD2 4.17Å; L676-L690 HydrophobicContact CG-CD2 4.28Å; L676-L717 HydrophobicContact CB-CD1 4.27Å; L676-L717 HydrophobicContact CB-CD2 4.43Å; L676-L717 HydrophobicContact CD2-CD1 3.84Å; L676-L717 HydrophobicContact CD2-CD2 4.33Å; L676-L717 HydrophobicContact CG-CD1 4.12Å; L676-L717 HydrophobicContact CG-CD2 3.92Å
677	N	97.9	Very high	95.3	Very high	20 Å²	20	21.3 Å²	21.3	11%	0.107	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-42.2	170.8	-91	-99.1	0	0	0	112.6	L673 I675 K681 Y713 K716 L717	L673-N677 WeakPolarHBondContact O-CB 3.34Å; L673-N677 PolarHBondContact O-N 3.18Å; L673-N677 PolarHBondContact O-ND2 2.7Å; I675-N677 VanDerWaalsContact C-N 3.27Å; I675-N677 PolarHBondContact O-N 3.28Å; N677-K681 WeakPolarHBondContact O-CB 3.4Å; N677-K681 PolarHBondContact O-N 3.22Å; N677-Y713 HydrophobicContact CB-CD1 4.19Å; N677-Y713 PolarHBondContact ND2-O 3.4Å; N677-K716 WeakPolarHBondContact OD1-CB 3.37Å; N677-L717 WeakPolarHBondContact ND2-CD1 3.26Å; N677-L717 VanDerWaalsContact ND2-CG 3.32Å; N677-L717 WeakPolarHBondContact ND2-CG 3.38Å
678	K	97.5	Very high	95	Very high	49 Å²	49	22.4 Å²	22.4	21%	0.213	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-42.6	178.6	-82.5	166.6	159.2	-76.6	0	112.1	L584 L587 K588 F598 R674 I675 T680	L584-K678 HydrophobicContact CD1-CD 3.85Å; L587-K678 HydrophobicContact CB-CD 4.08Å; L587-K678 PolarHBondContact O-NZ 3.37Å; K588-K678 VanDerWaalsContact CG-CE 3.46Å; F598-K678 HydrophobicContact CE2-CB 4.24Å; F598-K678 HydrophobicContact CZ-CB 4.36Å; R674-K678 WeakPolarHBondContact O-CG 3.35Å; R674-K678 PolarHBondContact O-N 2.71Å; I675-K678 WeakPolarHBondContact O-CA 3.13Å; I675-K678 WeakPolarHBondContact O-CB 3.4Å; I675-K678 PolarHBondContact O-N 2.95Å; K678-T680 VanDerWaalsContact C-N 3.34Å; K678-T680 PolarHBondContact O-N 3.26Å
679	L	97.3	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-35.9	-179.1	-61.6	-179.3	0	0	0	112.4	S602 L605 V606 C610 I611 I675 R686	S602-L679 WeakPolarHBondContact OG-CD2 3.44Å; L605-L679 HydrophobicContact CB-CD1 4.47Å; L605-L679 HydrophobicContact CB-CD2 4.11Å; L605-L679 HydrophobicContact CD1-CD2 4.01Å; V606-L679 HydrophobicContact CG2-CB 4.38Å; V606-L679 HydrophobicContact CG2-CD1 4.36Å; V606-L679 HydrophobicContact CG2-CD2 4.43Å; C610-L679 HydrophobicContact CB-CD1 4.31Å; I611-L679 HydrophobicContact CG1-CD1 4.1Å; I675-L679 HydrophobicContact CG2-CD1 4.1Å; I675-L679 HydrophobicContact CG2-CG 4.23Å; I675-L679 WeakPolarHBondContact O-CG 3.43Å; I675-L679 PolarHBondContact O-N 3.36Å; L679-R686 WeakPolarHBondContact O-CD 3.4Å; L679-R686 PolarHBondContact O-NH1 3.44Å
680	T	95.6	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-102.1	-21.4	-168.7	56.3	0	0	0	0	114.8	I611 L676 K678 W682 K683 R686 T687 L690 I720	I611-T680 HydrophobicContact CD1-CG2 4.04Å; L676-T680 HydrophobicContact CD1-CG2 4.45Å; L676-T680 WeakPolarHBondContact O-CG2 3.47Å; L676-T680 PolarHBondContact O-N 3.05Å; L676-T680 PolarHBondContact O-OG1 3.27Å; K678-T680 VanDerWaalsContact C-N 3.34Å; K678-T680 PolarHBondContact O-N 3.26Å; T680-W682 PolarHBondContact O-N 2.91Å; T680-K683 PolarHBondContact O-N 2.92Å; T680-K683 VanDerWaalsContact O-N 3.11Å; T680-R686 HydrophobicContact CG2-CB 4.18Å; T680-T687 PolarHBondContact O-OG1 3.49Å; T680-L690 HydrophobicContact CG2-CD1 3.9Å; T680-L690 HydrophobicContact CG2-CD2 4.45Å; T680-L690 HydrophobicContact CG2-CG 4.05Å; T680-I720 WeakPolarHBondContact OG1-CD1 3.35Å
681	K	92.6	Very high	94.4	Very high	127 Å²	127	26.1 Å²	26.1	55%	0.552	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	119.5	-179.1	175.3	-171.1	175	-161	0	111.6	N677 K683	N677-K681 WeakPolarHBondContact O-CB 3.4Å; N677-K681 PolarHBondContact O-N 3.22Å; K681-K683 VanDerWaalsContact C-N 3.29Å
682	W	86	Confident	94	Very high	121 Å²	121	30.1 Å²	30.1	46%	0.458	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	27.1	-177	-55.1	118.7	0	0	0	114.9	T680 R747	T680-W682 PolarHBondContact O-N 2.91Å; W682-R747 VanDerWaalsContact CH2-CZ 3.47Å; W682-R747 VanDerWaalsContact CH2-NH1 3.3Å
683	K	91.2	Very high	93.8	Very high	30 Å²	30	34.2 Å²	34.2	13%	0.13	16%	0.161	C	C	.	.			trans	-123.9	106.7	173.2	-56	-70.4	174.9	169.9	0	108.2	E599 T680 K681 R686 T687 L772	E599-K683 VanDerWaalsContact OE1-CE 3.24Å; E599-K683 WeakPolarHBondContact OE1-CE 3.41Å; E599-K683 IonicContact OE1-NZ 3.44Å; E599-K683 PolarHBondContact OE1-NZ 3.38Å; E599-K683 VanDerWaalsContact OE2-CE 3.31Å; E599-K683 WeakPolarHBondContact OE2-CE 3.32Å; E599-K683 IonicContact OE2-NZ 2.69Å; E599-K683 PolarHBondContact OE2-NZ 3.29Å; T680-K683 PolarHBondContact O-N 2.92Å; T680-K683 VanDerWaalsContact O-N 3.11Å; K681-K683 VanDerWaalsContact C-N 3.29Å; K683-R686 HydrophobicContact CB-CB 3.95Å; K683-R686 HydrophobicContact CB-CG 3.97Å; K683-T687 WeakPolarHBondContact O-CB 3.32Å; K683-T687 PolarHBondContact O-N 2.72Å; K683-T687 PolarHBondContact O-OG1 3.4Å; K683-L772 HydrophobicContact CD-CD2 4.48Å
684	H	89.9	Confident	93.7	Very high	50 Å²	50	42.1 Å²	42.1	23%	0.231	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-47.1	-174.2	-69	123.9	0	0	0	111.8	R686 T687 M688 K723 Y724 F765 E768	H684-R686 PolarHBondContact O-N 3.49Å; H684-T687 PolarHBondContact O-N 3.41Å; H684-T687 VanDerWaalsContact O-N 3.1Å; H684-M688 PolarHBondContact O-N 3.09Å; H684-K723 PolarHBondContact CD2-NZ 3.35Å; H684-K723 PolarHBondContact NE2-NZ 3.25Å; H684-Y724 PolarHBondContact CD2-OH 3.34Å; H684-F765 HydrophobicContact CB-CB 4.05Å; H684-F765 HydrophobicContact CB-CD1 3.27Å; H684-F765 HydrophobicContact CB-CD2 3.85Å; H684-F765 HydrophobicContact CB-CE1 3.58Å; H684-F765 HydrophobicContact CB-CE2 4.11Å; H684-F765 HydrophobicContact CB-CG 3.42Å; H684-F765 VanDerWaalsContact CB-CG 3.42Å; H684-F765 HydrophobicContact CB-CZ 3.99Å; H684-F765 AromaticContact CG-CD1 3.96Å; H684-F765 AromaticContact CG-CE1 3.92Å; H684-E768 IonicContact CE1-OE1 3.43Å; H684-E768 IonicContact CG-OE1 3.53Å; H684-E768 IonicContact CG-OE2 2.77Å; H684-E768 IonicContact ND1-OE1 3.57Å; H684-E768 PolarHBondContact ND1-OE1 2.93Å; H684-E768 IonicContact ND1-OE2 3.7Å; H684-E768 PolarHBondContact ND1-OE2 3.39Å
685	S	89.8	Confident	93.6	Very high	23 Å²	23	41.2 Å²	41.2	16%	0.161	19%	0.193	C	C	.	.	H	α-helix	trans	-47.7	-55.5	172.5	175.5	0	0	0	0	112.1	T687 M688 M689	S685-T687 VanDerWaalsContact C-N 3.33Å; S685-T687 PolarHBondContact O-N 3.35Å; S685-M688 WeakPolarHBondContact O-CB 3.31Å; S685-M688 PolarHBondContact O-N 3.14Å; S685-M688 VanDerWaalsContact O-N 3.09Å; S685-M689 WeakPolarHBondContact O-CG 3.09Å; S685-M689 PolarHBondContact O-N 3.03Å
686	R	93.4	Very high	93.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-27.2	-178.6	-54.5	172.8	-164.8	178.1	2.6	113.5	E599 S602 V606 I611 L679 T680 K683 H684 M689 L690 E769	E599-R686 IonicContact OE2-NH1 2.92Å; E599-R686 IonicContact OE2-NH2 2.7Å; S602-R686 PolarHBondContact OG-NH1 2.97Å; V606-R686 HydrophobicContact CG1-CG 4.43Å; V606-R686 HydrophobicContact CG2-CG 4.46Å; I611-R686 HydrophobicContact CD1-CB 4.19Å; L679-R686 WeakPolarHBondContact O-CD 3.4Å; L679-R686 PolarHBondContact O-NH1 3.44Å; T680-R686 HydrophobicContact CG2-CB 4.18Å; K683-R686 HydrophobicContact CB-CB 3.95Å; K683-R686 HydrophobicContact CB-CG 3.97Å; H684-R686 PolarHBondContact O-N 3.49Å; R686-M689 HydrophobicContact CG-SD 4.48Å; R686-L690 PolarHBondContact O-N 2.88Å; R686-E769 WeakPolarHBondContact CG-OE1 3.38Å; R686-E769 IonicContact CZ-OE1 2.74Å; R686-E769 IonicContact CZ-OE2 2.7Å; R686-E769 IonicContact NE-OE1 3.49Å; R686-E769 PolarHBondContact NE-OE1 3.02Å; R686-E769 IonicContact NE-OE2 3.01Å; R686-E769 PolarHBondContact NE-OE2 3Å; R686-E769 IonicContact NH2-OE1 2.68Å; R686-E769 PolarHBondContact NH2-OE1 3Å; R686-E769 IonicContact NH2-OE2 2.94Å; R686-E769 PolarHBondContact NH2-OE2 3.3Å
687	T	93.1	Very high	93.3	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-72.1	-38.2	171.1	-55	0	0	0	0	110.9	T680 K683 H684 S685 M689 L690 V691 I720 Q721 Y724	T680-T687 PolarHBondContact O-OG1 3.49Å; K683-T687 WeakPolarHBondContact O-CB 3.32Å; K683-T687 PolarHBondContact O-N 2.72Å; K683-T687 PolarHBondContact O-OG1 3.4Å; H684-T687 PolarHBondContact O-N 3.41Å; H684-T687 VanDerWaalsContact O-N 3.1Å; S685-T687 VanDerWaalsContact C-N 3.33Å; S685-T687 PolarHBondContact O-N 3.35Å; T687-M689 VanDerWaalsContact C-N 3.32Å; T687-M689 PolarHBondContact O-N 3.44Å; T687-L690 WeakPolarHBondContact O-CB 3.46Å; T687-L690 PolarHBondContact O-N 3.09Å; T687-L690 VanDerWaalsContact O-N 3.15Å; T687-V691 PolarHBondContact O-N 3.28Å; T687-I720 HydrophobicContact CG2-CB 4.06Å; T687-I720 HydrophobicContact CG2-CD1 4.01Å; T687-I720 HydrophobicContact CG2-CG1 3.92Å; T687-I720 WeakPolarHBondContact CG2-O 3.48Å; T687-Q721 HydrophobicContact CG2-CG 4.34Å; T687-Y724 HydrophobicContact CG2-CD2 4.14Å; T687-Y724 HydrophobicContact CG2-CE2 3.71Å
688	M	90	Very high	93.2	Very high	24 Å²	24	45.2 Å²	45.2	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-35.6	174.3	-168.1	57	171.5	0	0	111.5	H684 S685 L690 V691 V692 Y724 A760 P762	H684-M688 PolarHBondContact O-N 3.09Å; S685-M688 WeakPolarHBondContact O-CB 3.31Å; S685-M688 PolarHBondContact O-N 3.14Å; S685-M688 VanDerWaalsContact O-N 3.09Å; M688-L690 VanDerWaalsContact C-N 3.29Å; M688-L690 PolarHBondContact O-N 3.1Å; M688-V691 WeakPolarHBondContact O-CB 3.44Å; M688-V691 PolarHBondContact O-N 2.91Å; M688-V691 HydrophobicContact SD-CB 4.21Å; M688-V691 HydrophobicContact SD-CG1 4.5Å; M688-V692 WeakPolarHBondContact O-CG2 3.33Å; M688-V692 PolarHBondContact O-N 2.97Å; M688-Y724 HydrophobicContact SD-CD1 4.13Å; M688-Y724 HydrophobicContact SD-CG 4.38Å; M688-A760 WeakPolarHBondContact CE-O 3.5Å; M688-P762 HydrophobicContact CE-CG 4.05Å; M688-P762 HydrophobicContact CG-CB 4.41Å; M688-P762 HydrophobicContact CG-CG 4.38Å
689	M	91.7	Very high	93.2	Very high	47 Å²	47	42.9 Å²	42.9	23%	0.232	21%	0.208	C	C	.	.	H	α-helix	trans	-55	-41.7	169.7	-64.5	173.9	73.6	0	0	112.4	V606 I611 S685 R686 T687 V691 V692 F693	V606-M689 HydrophobicContact CG1-CE 4.07Å; V606-M689 HydrophobicContact CG1-SD 3.96Å; I611-M689 HydrophobicContact CD1-CE 4.45Å; I611-M689 HydrophobicContact CD1-SD 4.27Å; S685-M689 WeakPolarHBondContact O-CG 3.09Å; S685-M689 PolarHBondContact O-N 3.03Å; R686-M689 HydrophobicContact CG-SD 4.48Å; T687-M689 VanDerWaalsContact C-N 3.32Å; T687-M689 PolarHBondContact O-N 3.44Å; M689-V691 VanDerWaalsContact C-N 3.25Å; M689-V691 PolarHBondContact O-N 2.79Å; M689-V692 PolarHBondContact O-N 3.29Å; M689-F693 HydrophobicContact CB-CD2 4.37Å; M689-F693 HydrophobicContact CB-CE2 4.42Å; M689-F693 HydrophobicContact CE-CE2 4.19Å; M689-F693 WeakPolarHBondContact O-CB 2.99Å; M689-F693 WeakPolarHBondContact O-CD2 3.45Å; M689-F693 PolarHBondContact O-N 2.79Å
690	L	94.5	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-34	175.8	-68.6	179.5	0	0	0	112.9	I611 L615 L676 T680 R686 T687 M688 S695 L717 I720 Q721	I611-L690 HydrophobicContact CG2-CD2 3.88Å; L615-L690 HydrophobicContact CD1-CD2 4.13Å; L615-L690 HydrophobicContact CD2-CD2 4.38Å; L676-L690 HydrophobicContact CD1-CD2 3.99Å; L676-L690 HydrophobicContact CD2-CD2 4.17Å; L676-L690 HydrophobicContact CG-CD2 4.28Å; T680-L690 HydrophobicContact CG2-CD1 3.9Å; T680-L690 HydrophobicContact CG2-CD2 4.45Å; T680-L690 HydrophobicContact CG2-CG 4.05Å; R686-L690 PolarHBondContact O-N 2.88Å; T687-L690 WeakPolarHBondContact O-CB 3.46Å; T687-L690 PolarHBondContact O-N 3.09Å; T687-L690 VanDerWaalsContact O-N 3.15Å; M688-L690 VanDerWaalsContact C-N 3.29Å; M688-L690 PolarHBondContact O-N 3.1Å; L690-S695 WeakPolarHBondContact O-CB 3.26Å; L690-S695 PolarHBondContact O-N 3.48Å; L690-S695 PolarHBondContact O-OG 3.42Å; L690-L717 HydrophobicContact CD1-CD2 3.99Å; L690-I720 HydrophobicContact CD1-CD1 4.13Å; L690-Q721 HydrophobicContact CB-CG 4.18Å; L690-Q721 HydrophobicContact CD1-CG 4.32Å; L690-Q721 PolarHBondContact O-OE1 3.4Å
691	V	91.9	Very high	92.9	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-74.5	-47	179.1	-178.8	0	0	0	0	109.8	T687 M688 M689 F693 K694 Q721 Y724 L725	T687-V691 PolarHBondContact O-N 3.28Å; M688-V691 WeakPolarHBondContact O-CB 3.44Å; M688-V691 PolarHBondContact O-N 2.91Å; M688-V691 HydrophobicContact SD-CB 4.21Å; M688-V691 HydrophobicContact SD-CG1 4.5Å; M689-V691 VanDerWaalsContact C-N 3.25Å; M689-V691 PolarHBondContact O-N 2.79Å; V691-F693 VanDerWaalsContact C-N 3.35Å; V691-F693 PolarHBondContact O-N 3.45Å; V691-K694 WeakPolarHBondContact O-CA 3.37Å; V691-K694 PolarHBondContact O-N 2.79Å; V691-Q721 HydrophobicContact CG2-CB 4.34Å; V691-Q721 HydrophobicContact CG2-CG 4.02Å; V691-Y724 HydrophobicContact CG2-CD2 4.09Å; V691-Y724 HydrophobicContact CG2-CG 4.2Å; V691-L725 HydrophobicContact CG1-CD2 4.37Å
692	V	91.1	Very high	93	Very high	84 Å²	84	45.2 Å²	45.2	51%	0.509	22%	0.215	S	C	.	.	H	α-helix	trans	-58.4	-44	175.8	172.3	0	0	0	0	111.4	M688 M689 K694 P762	M688-V692 WeakPolarHBondContact O-CG2 3.33Å; M688-V692 PolarHBondContact O-N 2.97Å; M689-V692 PolarHBondContact O-N 3.29Å; V692-K694 PolarHBondContact O-N 3.25Å; V692-K694 VanDerWaalsContact O-N 3.12Å; V692-P762 HydrophobicContact CG2-CG 4.16Å
693	F	94	Very high	93.3	Very high	86 Å²	86	39.7 Å²	39.7	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	11.3	173.8	-70.5	-58.8	0	0	0	114.3	I611 P612 L615 M689 V691 S695	I611-F693 HydrophobicContact CG2-CD2 4.37Å; P612-F693 HydrophobicContact CB-CD1 4.19Å; P612-F693 HydrophobicContact CB-CD2 4.25Å; P612-F693 HydrophobicContact CB-CE1 3.92Å; P612-F693 HydrophobicContact CB-CE2 3.98Å; P612-F693 HydrophobicContact CB-CG 4.37Å; P612-F693 HydrophobicContact CB-CZ 3.81Å; P612-F693 HydrophobicContact CG-CE1 4.41Å; P612-F693 HydrophobicContact CG-CE2 3.97Å; P612-F693 HydrophobicContact CG-CZ 3.85Å; L615-F693 HydrophobicContact CD1-CB 3.6Å; L615-F693 HydrophobicContact CD1-CG 4.38Å; M689-F693 HydrophobicContact CB-CD2 4.37Å; M689-F693 HydrophobicContact CB-CE2 4.42Å; M689-F693 HydrophobicContact CE-CE2 4.19Å; M689-F693 WeakPolarHBondContact O-CB 2.99Å; M689-F693 WeakPolarHBondContact O-CD2 3.45Å; M689-F693 PolarHBondContact O-N 2.79Å; V691-F693 VanDerWaalsContact C-N 3.35Å; V691-F693 PolarHBondContact O-N 3.45Å; F693-S695 VanDerWaalsContact C-N 3.27Å; F693-S695 PolarHBondContact O-N 3.45Å
694	K	94.8	Very high	93.2	Very high	166 Å²	166	42.6 Å²	42.6	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	44.6	177.8	-60.1	179.1	-179.2	175.7	0	112.3	V691 V692 A696 P697	V691-K694 WeakPolarHBondContact O-CA 3.37Å; V691-K694 PolarHBondContact O-N 2.79Å; V692-K694 PolarHBondContact O-N 3.25Å; V692-K694 VanDerWaalsContact O-N 3.12Å; K694-A696 PolarHBondContact O-N 3.42Å; K694-P697 WeakPolarHBondContact O-CD 3.44Å
695	S	96.5	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-26.9	-172.8	79.7	0	0	0	0	114.2	L615 L690 F693 I698 L699 Q721	L615-S695 VanDerWaalsContact CD2-CB 3.48Å; L690-S695 WeakPolarHBondContact O-CB 3.26Å; L690-S695 PolarHBondContact O-N 3.48Å; L690-S695 PolarHBondContact O-OG 3.42Å; F693-S695 VanDerWaalsContact C-N 3.27Å; F693-S695 PolarHBondContact O-N 3.45Å; S695-I698 WeakPolarHBondContact O-CA 3.31Å; S695-I698 WeakPolarHBondContact O-CB 3.49Å; S695-I698 PolarHBondContact O-N 3.43Å; S695-L699 WeakPolarHBondContact O-CB 3.4Å; S695-L699 WeakPolarHBondContact O-CG 3.41Å; S695-L699 PolarHBondContact O-N 3.4Å; S695-Q721 VanDerWaalsContact OG-CD 3.23Å; S695-Q721 PolarHBondContact OG-NE2 2.8Å; S695-Q721 PolarHBondContact OG-OE1 2.87Å
696	A	95.6	Very high	93.1	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-43.8	-172	0	0	0	0	0	114.2	K694 I698 K700 L718 L725 W729	K694-A696 PolarHBondContact O-N 3.42Å; A696-I698 PolarHBondContact O-N 3.13Å; A696-K700 VanDerWaalsContact O-CB 3.27Å; A696-K700 WeakPolarHBondContact O-CB 3.49Å; A696-K700 PolarHBondContact O-N 3.36Å; A696-L718 HydrophobicContact CB-CD2 3.95Å; A696-L725 HydrophobicContact CB-CD1 3.84Å; A696-L725 HydrophobicContact CB-CD2 4.36Å; A696-W729 HydrophobicContact CB-CZ2 4.18Å
697	P	95.2	Very high	92.9	Very high	82 Å²	82	41 Å²	41	53%	0.532	20%	0.197	S	C	.	.	H	α-helix	trans	-59.5	-39.3	169.1	-27.2	35	0	0	0	114.6	K694 K700 R701	K694-P697 WeakPolarHBondContact O-CD 3.44Å; P697-K700 PolarHBondContact O-N 3.15Å; P697-R701 PolarHBondContact O-N 3.42Å; P697-R701 VanDerWaalsContact O-N 3.16Å
698	I	95.8	Very high	92.7	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-52.5	179.1	-58	173.6	0	0	0	109.4	L615 F618 N619 S695 A696 K700 R701 A702	L615-I698 HydrophobicContact CB-CD1 4.43Å; F618-I698 HydrophobicContact CB-CG2 3.63Å; F618-I698 WeakPolarHBondContact O-CG2 3.46Å; N619-I698 HydrophobicContact CB-CD1 4.24Å; N619-I698 HydrophobicContact CB-CG2 4.47Å; S695-I698 WeakPolarHBondContact O-CA 3.31Å; S695-I698 WeakPolarHBondContact O-CB 3.49Å; S695-I698 PolarHBondContact O-N 3.43Å; A696-I698 PolarHBondContact O-N 3.13Å; I698-K700 PolarHBondContact O-N 2.87Å; I698-R701 PolarHBondContact O-N 3.46Å; I698-A702 PolarHBondContact O-N 2.9Å
699	L	96.7	Very high	92.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-40.9	177	-70.3	172.1	0	0	0	112.1	L673 S695 R701 A702 L703 V714 L717 L718	L673-L699 HydrophobicContact CD2-CD2 3.92Å; S695-L699 WeakPolarHBondContact O-CB 3.4Å; S695-L699 WeakPolarHBondContact O-CG 3.41Å; S695-L699 PolarHBondContact O-N 3.4Å; L699-R701 VanDerWaalsContact C-N 3.29Å; L699-R701 PolarHBondContact O-N 2.75Å; L699-A702 WeakPolarHBondContact O-CB 3.34Å; L699-A702 PolarHBondContact O-N 2.65Å; L699-L703 PolarHBondContact O-N 2.67Å; L699-V714 HydrophobicContact CB-CG1 4.03Å; L699-V714 HydrophobicContact CD2-CG1 4.47Å; L699-V714 WeakPolarHBondContact O-CG1 3.43Å; L699-L717 HydrophobicContact CD1-CB 3.71Å; L699-L717 HydrophobicContact CD1-CD1 4.42Å; L699-L717 HydrophobicContact CD2-CD1 3.93Å; L699-L718 HydrophobicContact CB-CD1 4.47Å; L699-L718 HydrophobicContact CB-CD2 3.9Å; L699-L718 HydrophobicContact CB-CG 4.13Å; L699-L718 HydrophobicContact CD1-CD2 4.36Å
700	K	94.2	Very high	92.9	Very high	61 Å²	61	38.4 Å²	38.4	27%	0.265	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-35.4	176.2	-173.8	-178.5	177.1	-176.3	0	112.4	A696 P697 I698 L703 N733	A696-K700 VanDerWaalsContact O-CB 3.27Å; A696-K700 WeakPolarHBondContact O-CB 3.49Å; A696-K700 PolarHBondContact O-N 3.36Å; P697-K700 PolarHBondContact O-N 3.15Å; I698-K700 PolarHBondContact O-N 2.87Å; K700-L703 WeakPolarHBondContact O-CB 3.48Å; K700-L703 PolarHBondContact O-N 3Å; K700-N733 WeakPolarHBondContact CD-OD1 3.44Å; K700-N733 WeakPolarHBondContact CE-OD1 3.17Å; K700-N733 PolarHBondContact NZ-OD1 2.96Å
701	R	93.1	Very high	92.9	Very high	115 Å²	115	38.7 Å²	38.7	43%	0.434	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-37	173.1	-70.7	-175.7	-59.2	178.6	1.4	112.2	N619 P697 I698 L699 L703 K704	N619-R701 PolarHBondContact OD1-NH2 2.83Å; P697-R701 PolarHBondContact O-N 3.42Å; P697-R701 VanDerWaalsContact O-N 3.16Å; I698-R701 PolarHBondContact O-N 3.46Å; L699-R701 VanDerWaalsContact C-N 3.29Å; L699-R701 PolarHBondContact O-N 2.75Å; R701-L703 PolarHBondContact O-N 2.78Å; R701-K704 WeakPolarHBondContact O-CB 3.48Å; R701-K704 WeakPolarHBondContact O-CG 3.35Å; R701-K704 PolarHBondContact O-N 3.3Å; R701-K704 VanDerWaalsContact O-N 3.11Å
702	A	93.8	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-22.6	177.3	0	0	0	0	0	113.4	F618 I698 L699 K704 V705 M710 V714	F618-A702 HydrophobicContact CD1-CB 4.28Å; I698-A702 PolarHBondContact O-N 2.9Å; L699-A702 WeakPolarHBondContact O-CB 3.34Å; L699-A702 PolarHBondContact O-N 2.65Å; A702-K704 PolarHBondContact O-N 2.86Å; A702-K704 VanDerWaalsContact O-N 3.15Å; A702-V705 PolarHBondContact O-N 2.94Å; A702-M710 HydrophobicContact CB-CE 4.23Å; A702-V714 HydrophobicContact CB-CG2 4.05Å
703	L	92.8	Very high	93.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.6	172.6	-65.6	176.5	0	0	0	114.2	P314 L699 K700 R701 V705 Q711 V714 L715 L718 T736	P314-L703 HydrophobicContact CG-CD1 3.9Å; L699-L703 PolarHBondContact O-N 2.67Å; K700-L703 WeakPolarHBondContact O-CB 3.48Å; K700-L703 PolarHBondContact O-N 3Å; R701-L703 PolarHBondContact O-N 2.78Å; L703-V705 PolarHBondContact O-N 3.42Å; L703-Q711 HydrophobicContact CD2-CB 4.28Å; L703-Q711 HydrophobicContact CD2-CG 4.24Å; L703-Q711 PolarHBondContact O-NE2 3.23Å; L703-V714 HydrophobicContact CD2-CB 3.79Å; L703-V714 HydrophobicContact CD2-CG1 3.43Å; L703-V714 VanDerWaalsContact CD2-CG1 3.43Å; L703-V714 HydrophobicContact CG-CG1 3.69Å; L703-L715 HydrophobicContact CD1-CD2 4.06Å; L703-L715 HydrophobicContact CD2-CD2 3.9Å; L703-L715 HydrophobicContact CD2-CG 3.88Å; L703-L718 HydrophobicContact CD1-CD1 3.94Å; L703-L718 HydrophobicContact CG-CD1 4.49Å; L703-T736 HydrophobicContact CD1-CG2 4.3Å
704	K	89.8	Confident	93.4	Very high	91 Å²	91	30.6 Å²	30.6	40%	0.396	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.7	174	-72	-168	170.5	-158	0	112.9	P313 M623 R701 A702 K706	P313-K704 HydrophobicContact CB-CG 4.46Å; M623-K704 HydrophobicContact CG-CB 4.25Å; M623-K704 HydrophobicContact SD-CB 4.17Å; R701-K704 WeakPolarHBondContact O-CB 3.48Å; R701-K704 WeakPolarHBondContact O-CG 3.35Å; R701-K704 PolarHBondContact O-N 3.3Å; R701-K704 VanDerWaalsContact O-N 3.11Å; A702-K704 PolarHBondContact O-N 2.86Å; A702-K704 VanDerWaalsContact O-N 3.15Å; K704-K706 PolarHBondContact O-N 3.49Å
705	V	89.8	Confident	93.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.109	C	C	.	.	S	Bend	trans	-69.5	112.7	174.5	-177.5	0	0	0	0	109.2	L45 I622 M623 I626 L666 A702 L703 Q707 M710 Q711	L45-V705 HydrophobicContact CD1-CG1 3.93Å; I622-V705 HydrophobicContact CG2-CG2 3.84Å; M623-V705 HydrophobicContact SD-CB 4.38Å; M623-V705 HydrophobicContact SD-CG2 3.77Å; I626-V705 HydrophobicContact CD1-CB 4.22Å; I626-V705 HydrophobicContact CD1-CG1 3.54Å; I626-V705 HydrophobicContact CD1-CG2 3.71Å; L666-V705 HydrophobicContact CD1-CG1 4.15Å; A702-V705 PolarHBondContact O-N 2.94Å; L703-V705 PolarHBondContact O-N 3.42Å; V705-Q707 HydrophobicContact CG1-CB 4.02Å; V705-Q707 PolarHBondContact O-N 3.15Å; V705-M710 HydrophobicContact CB-CE 4.21Å; V705-M710 HydrophobicContact CB-SD 3.8Å; V705-M710 HydrophobicContact CG1-SD 3.67Å; V705-M710 HydrophobicContact CG2-CE 3.83Å; V705-M710 HydrophobicContact CG2-SD 3.97Å; V705-Q711 VanDerWaalsContact O-CG 3.25Å; V705-Q711 WeakPolarHBondContact O-CG 3.3Å; V705-Q711 PolarHBondContact O-NE2 3.44Å
706	K	86.4	Confident	93.5	Very high	24 Å²	24	24.8 Å²	24.8	10%	0.104	12%	0.117	C	C	.	.			trans	-78.7	60.6	178.4	-66.7	-170.7	-176.9	-173.9	0	112.1	S42 L45 A310 P313 K704	S42-K706 VanDerWaalsContact O-CD 3.3Å; S42-K706 WeakPolarHBondContact O-CD 3.39Å; S42-K706 WeakPolarHBondContact O-CE 3.25Å; S42-K706 PolarHBondContact O-NZ 2.95Å; L45-K706 PolarHBondContact N-O 3.18Å; A310-K706 HydrophobicContact CB-CB 4.16Å; P313-K706 HydrophobicContact CG-CG 4.36Å; K704-K706 PolarHBondContact O-N 3.49Å
707	Q	89.8	Confident	93.5	Very high	17 Å²	17	24.7 Å²	24.7	8%	0.079	12%	0.117	C	C	.	.			trans	-128.3	125.8	174.7	-159.1	-75.3	-22.5	0	0	110	L45 F47 L666 V705 M709 M710 Q711	L45-Q707 HydrophobicContact CD1-CB 4.41Å; F47-Q707 HydrophobicContact CB-CG 4.4Å; F47-Q707 HydrophobicContact CD1-CG 4.16Å; L666-Q707 HydrophobicContact CD1-CB 4.35Å; L666-Q707 HydrophobicContact CD1-CG 4.36Å; L666-Q707 HydrophobicContact CD2-CG 4.25Å; V705-Q707 HydrophobicContact CG1-CB 4.02Å; V705-Q707 PolarHBondContact O-N 3.15Å; Q707-M709 PolarHBondContact O-N 3.11Å; Q707-M709 VanDerWaalsContact OE1-CB 3.26Å; Q707-M710 HydrophobicContact CB-CB 4.37Å; Q707-M710 PolarHBondContact O-N 3.35Å; Q707-Q711 WeakPolarHBondContact O-CB 3.42Å; Q707-Q711 WeakPolarHBondContact O-CG 3.44Å; Q707-Q711 PolarHBondContact O-N 3.22Å
708	A	89.5	Confident	93.6	Very high	15 Å²	15	20.8 Å²	20.8	12%	0.124	9%	0.091	C	C	.	.	H	α-helix	trans	-66.7	-37.3	-165.5	0	0	0	0	0	114.3	V305 M308 L712	V305-A708 HydrophobicContact CG1-CB 4.42Å; M308-A708 HydrophobicContact CB-CB 4.13Å; M308-A708 VanDerWaalsContact O-CB 3.22Å; M308-A708 WeakPolarHBondContact O-CB 3.35Å; A708-L712 VanDerWaalsContact O-CB 3.22Å; A708-L712 WeakPolarHBondContact O-CB 3.44Å; A708-L712 PolarHBondContact O-N 2.76Å
709	M	91.4	Very high	93.5	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-48.8	178.7	-166.8	72.6	71.8	0	0	110.9	Y49 I302 V305 I670 Q707 L712 Y713	Y49-M709 HydrophobicContact CD1-CE 4.08Å; I302-M709 HydrophobicContact CG2-CE 4.25Å; V305-M709 HydrophobicContact CB-CE 3.83Å; V305-M709 HydrophobicContact CB-SD 4Å; V305-M709 HydrophobicContact CG1-CB 4.05Å; V305-M709 HydrophobicContact CG1-CE 3.73Å; V305-M709 HydrophobicContact CG1-CG 4.45Å; V305-M709 HydrophobicContact CG1-SD 3.6Å; V305-M709 HydrophobicContact CG2-SD 4.45Å; I670-M709 HydrophobicContact CD1-CB 4.28Å; I670-M709 HydrophobicContact CG2-CB 4.5Å; I670-M709 HydrophobicContact CG2-CG 3.72Å; Q707-M709 PolarHBondContact O-N 3.11Å; Q707-M709 VanDerWaalsContact OE1-CB 3.26Å; M709-L712 PolarHBondContact O-N 3.35Å; M709-Y713 HydrophobicContact CG-CD2 4.12Å; M709-Y713 HydrophobicContact CG-CE2 3.85Å; M709-Y713 WeakPolarHBondContact O-CD2 3.47Å; M709-Y713 PolarHBondContact O-N 2.96Å; M709-Y713 VanDerWaalsContact O-N 3.15Å; M709-Y713 HydrophobicContact SD-CD2 4.34Å; M709-Y713 HydrophobicContact SD-CE2 3.57Å; M709-Y713 VanDerWaalsContact SD-CE2 3.57Å
710	M	93.8	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-55.2	177	-176.4	164.3	179.4	0	0	110.8	F618 I622 L666 C669 I670 L673 A702 V705 Q707 L712 Y713 V714	F618-M710 HydrophobicContact CE1-CE 3.88Å; I622-M710 HydrophobicContact CG2-CE 3.74Å; L666-M710 HydrophobicContact CD1-SD 3.93Å; C669-M710 HydrophobicContact CB-CE 3.91Å; C669-M710 HydrophobicContact CB-SD 4.1Å; I670-M710 HydrophobicContact CG1-CB 3.85Å; L673-M710 HydrophobicContact CD1-CE 4.27Å; L673-M710 HydrophobicContact CD1-CG 3.68Å; A702-M710 HydrophobicContact CB-CE 4.23Å; V705-M710 HydrophobicContact CB-CE 4.21Å; V705-M710 HydrophobicContact CB-SD 3.8Å; V705-M710 HydrophobicContact CG1-SD 3.67Å; V705-M710 HydrophobicContact CG2-CE 3.83Å; V705-M710 HydrophobicContact CG2-SD 3.97Å; Q707-M710 HydrophobicContact CB-CB 4.37Å; Q707-M710 PolarHBondContact O-N 3.35Å; M710-L712 VanDerWaalsContact C-N 3.31Å; M710-L712 PolarHBondContact O-N 2.93Å; M710-Y713 PolarHBondContact O-N 2.86Å; M710-V714 WeakPolarHBondContact O-CG2 3.39Å; M710-V714 PolarHBondContact O-N 2.8Å
711	Q	94.1	Very high	93.2	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-58.9	-40.2	178.5	-72.8	-176.8	-23.4	0	0	112.4	A311 L703 V705 Q707 Y713 V714 L715	A311-Q711 PolarHBondContact O-NE2 3.18Å; A311-Q711 PolarHBondContact O-OE1 3.15Å; L703-Q711 HydrophobicContact CD2-CB 4.28Å; L703-Q711 HydrophobicContact CD2-CG 4.24Å; L703-Q711 PolarHBondContact O-NE2 3.23Å; V705-Q711 VanDerWaalsContact O-CG 3.25Å; V705-Q711 WeakPolarHBondContact O-CG 3.3Å; V705-Q711 PolarHBondContact O-NE2 3.44Å; Q707-Q711 WeakPolarHBondContact O-CB 3.42Å; Q707-Q711 WeakPolarHBondContact O-CG 3.44Å; Q707-Q711 PolarHBondContact O-N 3.22Å; Q711-Y713 PolarHBondContact O-N 3.35Å; Q711-V714 PolarHBondContact O-N 2.95Å; Q711-L715 WeakPolarHBondContact O-CB 3.24Å; Q711-L715 WeakPolarHBondContact O-CG 3.45Å; Q711-L715 PolarHBondContact O-N 3.35Å
712	L	94.5	Very high	93	Very high	4 Å²	4	15 Å²	15	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-42.7	177.6	177.7	65.7	0	0	0	112.5	V305 W425 A708 M709 M710 L715 K716 K743 V744	V305-L712 HydrophobicContact CB-CD2 4.45Å; V305-L712 HydrophobicContact CG1-CD2 4.21Å; V305-L712 HydrophobicContact CG2-CD2 3.33Å; W425-L712 HydrophobicContact CH2-CD2 3.92Å; W425-L712 HydrophobicContact CZ2-CD1 4.07Å; W425-L712 HydrophobicContact CZ2-CD2 3.67Å; A708-L712 VanDerWaalsContact O-CB 3.22Å; A708-L712 WeakPolarHBondContact O-CB 3.44Å; A708-L712 PolarHBondContact O-N 2.76Å; M709-L712 PolarHBondContact O-N 3.35Å; M710-L712 VanDerWaalsContact C-N 3.31Å; M710-L712 PolarHBondContact O-N 2.93Å; L712-L715 PolarHBondContact O-N 3.04Å; L712-K716 HydrophobicContact CG-CD 4.27Å; L712-K716 VanDerWaalsContact O-CG 3.26Å; L712-K716 WeakPolarHBondContact O-CG 3.2Å; L712-K716 PolarHBondContact O-N 3.22Å; L712-K743 VanDerWaalsContact CD1-O 3.3Å; L712-K743 WeakPolarHBondContact CD1-O 3.45Å; L712-V744 HydrophobicContact CD1-CG2 4.22Å
713	Y	96.6	Very high	92.7	Very high	26 Å²	26	17.4 Å²	17.4	10%	0.102	8%	0.081	C	C	.	.	H	α-helix	trans	-72.9	-31.6	178.1	-73.6	-67.5	0	0	0	112.7	R674 N677 M709 M710 Q711 K716 L717	R674-Y713 HydrophobicContact CG-CD1 4.12Å; R674-Y713 HydrophobicContact CG-CD2 3.58Å; R674-Y713 HydrophobicContact CG-CE1 3.91Å; R674-Y713 HydrophobicContact CG-CE2 3.36Å; R674-Y713 HydrophobicContact CG-CG 3.98Å; R674-Y713 PolarHBondContact NE-OH 3.23Å; N677-Y713 HydrophobicContact CB-CD1 4.19Å; N677-Y713 PolarHBondContact ND2-O 3.4Å; M709-Y713 HydrophobicContact CG-CD2 4.12Å; M709-Y713 HydrophobicContact CG-CE2 3.85Å; M709-Y713 WeakPolarHBondContact O-CD2 3.47Å; M709-Y713 PolarHBondContact O-N 2.96Å; M709-Y713 VanDerWaalsContact O-N 3.15Å; M709-Y713 HydrophobicContact SD-CD2 4.34Å; M709-Y713 HydrophobicContact SD-CE2 3.57Å; M709-Y713 VanDerWaalsContact SD-CE2 3.57Å; M710-Y713 PolarHBondContact O-N 2.86Å; Q711-Y713 PolarHBondContact O-N 3.35Å; Y713-K716 HydrophobicContact CD1-CD 3.93Å; Y713-K716 HydrophobicContact CE1-CD 4.28Å; Y713-L717 WeakPolarHBondContact O-CG 3.29Å; Y713-L717 PolarHBondContact O-N 3.43Å
714	V	97.5	Very high	92.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-48.3	168.8	176	0	0	0	0	111.2	L673 L699 A702 L703 M710 Q711 K716 L717 L718	L673-V714 HydrophobicContact CD1-CG2 3.64Å; L673-V714 HydrophobicContact CD2-CG2 3.8Å; L673-V714 HydrophobicContact CG-CG2 4.38Å; L699-V714 HydrophobicContact CB-CG1 4.03Å; L699-V714 HydrophobicContact CD2-CG1 4.47Å; L699-V714 WeakPolarHBondContact O-CG1 3.43Å; A702-V714 HydrophobicContact CB-CG2 4.05Å; L703-V714 HydrophobicContact CD2-CB 3.79Å; L703-V714 HydrophobicContact CD2-CG1 3.43Å; L703-V714 VanDerWaalsContact CD2-CG1 3.43Å; L703-V714 HydrophobicContact CG-CG1 3.69Å; M710-V714 WeakPolarHBondContact O-CG2 3.39Å; M710-V714 PolarHBondContact O-N 2.8Å; Q711-V714 PolarHBondContact O-N 2.95Å; V714-K716 VanDerWaalsContact C-N 3.32Å; V714-K716 PolarHBondContact O-N 3.07Å; V714-L717 PolarHBondContact O-N 3.15Å; V714-L717 VanDerWaalsContact O-N 3.15Å; V714-L718 HydrophobicContact CG1-CD1 3.9Å; V714-L718 HydrophobicContact CG1-CG 4.49Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 3.23Å
715	L	96.4	Very high	92.3	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-34.2	179.8	-68.9	169.5	0	0	0	112.2	L703 Q711 L712 L718 K719 T736 A739 I740 K743 V744	L703-L715 HydrophobicContact CD1-CD2 4.06Å; L703-L715 HydrophobicContact CD2-CD2 3.9Å; L703-L715 HydrophobicContact CD2-CG 3.88Å; Q711-L715 WeakPolarHBondContact O-CB 3.24Å; Q711-L715 WeakPolarHBondContact O-CG 3.45Å; Q711-L715 PolarHBondContact O-N 3.35Å; L712-L715 PolarHBondContact O-N 3.04Å; L715-L718 PolarHBondContact O-N 3.39Å; L715-K719 WeakPolarHBondContact O-CB 3.35Å; L715-K719 PolarHBondContact O-N 3.28Å; L715-T736 HydrophobicContact CD2-CG2 4.47Å; L715-A739 HydrophobicContact CD1-CB 4.18Å; L715-A739 HydrophobicContact CD2-CB 3.8Å; L715-I740 HydrophobicContact CB-CG1 4.25Å; L715-I740 HydrophobicContact CD2-CG1 3.89Å; L715-K743 HydrophobicContact CD1-CB 3.93Å; L715-K743 HydrophobicContact CD1-CG 4.18Å; L715-V744 HydrophobicContact CB-CG2 3.61Å
716	K	95.9	Very high	92.1	Very high	42 Å²	42	17 Å²	17	18%	0.183	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-43.5	171.2	-75.8	164.8	-178.6	163.3	0	112.4	N677 L712 Y713 V714 L718 K719 I720 V744	N677-K716 WeakPolarHBondContact OD1-CB 3.37Å; L712-K716 HydrophobicContact CG-CD 4.27Å; L712-K716 VanDerWaalsContact O-CG 3.26Å; L712-K716 WeakPolarHBondContact O-CG 3.2Å; L712-K716 PolarHBondContact O-N 3.22Å; Y713-K716 HydrophobicContact CD1-CD 3.93Å; Y713-K716 HydrophobicContact CE1-CD 4.28Å; V714-K716 VanDerWaalsContact C-N 3.32Å; V714-K716 PolarHBondContact O-N 3.07Å; K716-L718 VanDerWaalsContact C-N 3.35Å; K716-K719 PolarHBondContact O-N 3.33Å; K716-I720 PolarHBondContact O-N 3.45Å; K716-V744 HydrophobicContact CG-CG1 3.86Å; K716-V744 HydrophobicContact CG-CG2 4.41Å
717	L	97	Very high	92.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-34.1	177	-71.3	163.1	0	0	0	112.5	L673 L676 N677 L690 L699 Y713 V714 I720 Q721	L673-L717 HydrophobicContact CD2-CD1 3.8Å; L676-L717 HydrophobicContact CB-CD1 4.27Å; L676-L717 HydrophobicContact CB-CD2 4.43Å; L676-L717 HydrophobicContact CD2-CD1 3.84Å; L676-L717 HydrophobicContact CD2-CD2 4.33Å; L676-L717 HydrophobicContact CG-CD1 4.12Å; L676-L717 HydrophobicContact CG-CD2 3.92Å; N677-L717 WeakPolarHBondContact ND2-CD1 3.26Å; N677-L717 VanDerWaalsContact ND2-CG 3.32Å; N677-L717 WeakPolarHBondContact ND2-CG 3.38Å; L690-L717 HydrophobicContact CD1-CD2 3.99Å; L699-L717 HydrophobicContact CD1-CB 3.71Å; L699-L717 HydrophobicContact CD1-CD1 4.42Å; L699-L717 HydrophobicContact CD2-CD1 3.93Å; Y713-L717 WeakPolarHBondContact O-CG 3.29Å; Y713-L717 PolarHBondContact O-N 3.43Å; V714-L717 PolarHBondContact O-N 3.15Å; V714-L717 VanDerWaalsContact O-N 3.15Å; L717-I720 HydrophobicContact CD2-CD1 4.29Å; L717-I720 VanDerWaalsContact O-CG1 3.27Å; L717-I720 WeakPolarHBondContact O-CG1 3.49Å; L717-Q721 WeakPolarHBondContact O-CG 3.25Å; L717-Q721 PolarHBondContact O-NE2 3.24Å
718	L	95.8	Very high	92	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-42.9	173.1	-69.3	168.1	0	0	0	110.8	A696 L699 L703 V714 L715 K716 I720 Q721 T722 T736 I740	A696-L718 HydrophobicContact CB-CD2 3.95Å; L699-L718 HydrophobicContact CB-CD1 4.47Å; L699-L718 HydrophobicContact CB-CD2 3.9Å; L699-L718 HydrophobicContact CB-CG 4.13Å; L699-L718 HydrophobicContact CD1-CD2 4.36Å; L703-L718 HydrophobicContact CD1-CD1 3.94Å; L703-L718 HydrophobicContact CG-CD1 4.49Å; V714-L718 HydrophobicContact CG1-CD1 3.9Å; V714-L718 HydrophobicContact CG1-CG 4.49Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 3.23Å; L715-L718 PolarHBondContact O-N 3.39Å; K716-L718 VanDerWaalsContact C-N 3.35Å; L718-I720 PolarHBondContact O-N 3.17Å; L718-Q721 PolarHBondContact O-N 3.29Å; L718-Q721 VanDerWaalsContact O-N 3.08Å; L718-T722 VanDerWaalsContact O-CG2 3.31Å; L718-T722 WeakPolarHBondContact O-CG2 3.37Å; L718-T722 PolarHBondContact O-N 3.2Å; L718-T722 VanDerWaalsContact O-N 3.16Å; L718-T736 HydrophobicContact CD1-CG2 3.8Å; L718-I740 HydrophobicContact CB-CD1 4.15Å
719	K	93.9	Very high	92	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.096	14%	0.144	C	C	.	.	H	α-helix	trans	-56	-45.2	177.5	-176.9	176.6	177.2	170.9	0	113.1	L715 K716 Q721 T722 I740 V744 R745 H746 D750 W752	L715-K719 WeakPolarHBondContact O-CB 3.35Å; L715-K719 PolarHBondContact O-N 3.28Å; K716-K719 PolarHBondContact O-N 3.33Å; K719-Q721 PolarHBondContact O-N 3.31Å; K719-T722 PolarHBondContact O-N 2.91Å; K719-T722 PolarHBondContact O-OG1 2.96Å; K719-T722 VanDerWaalsContact O-OG1 3.05Å; K719-I740 HydrophobicContact CB-CD1 4.32Å; K719-I740 HydrophobicContact CB-CG2 3.78Å; K719-I740 HydrophobicContact CD-CG2 3.8Å; K719-I740 HydrophobicContact CG-CG2 3.84Å; K719-V744 HydrophobicContact CD-CB 4.3Å; K719-V744 HydrophobicContact CD-CG1 3.67Å; K719-R745 PolarHBondContact NZ-O 3.49Å; K719-H746 PolarHBondContact NZ-CE1 3.29Å; K719-H746 PolarHBondContact NZ-ND1 3.5Å; K719-D750 WeakPolarHBondContact CE-OD2 3.36Å; K719-D750 IonicContact NZ-OD1 3.46Å; K719-D750 IonicContact NZ-OD2 3.86Å; K719-D750 PolarHBondContact NZ-OD2 3.01Å; K719-W752 HydrophobicContact CD-CD2 4.37Å; K719-W752 HydrophobicContact CD-CG 4.43Å; K719-W752 VanDerWaalsContact CE-CD1 3.43Å; K719-W752 HydrophobicContact CG-CB 4.36Å; K719-W752 HydrophobicContact CG-CD2 3.92Å; K719-W752 HydrophobicContact CG-CE3 4.1Å; K719-W752 HydrophobicContact CG-CG 4Å
720	I	91.9	Very high	91.9	Very high	50 Å²	50	32.4 Å²	32.4	26%	0.256	15%	0.146	S	C	.	.	H	α-helix	trans	-68.6	-21.9	179.7	61.4	173.5	0	0	0	113.1	T680 T687 L690 K716 L717 L718	T680-I720 WeakPolarHBondContact OG1-CD1 3.35Å; T687-I720 HydrophobicContact CG2-CB 4.06Å; T687-I720 HydrophobicContact CG2-CD1 4.01Å; T687-I720 HydrophobicContact CG2-CG1 3.92Å; T687-I720 WeakPolarHBondContact CG2-O 3.48Å; L690-I720 HydrophobicContact CD1-CD1 4.13Å; K716-I720 PolarHBondContact O-N 3.45Å; L717-I720 HydrophobicContact CD2-CD1 4.29Å; L717-I720 VanDerWaalsContact O-CG1 3.27Å; L717-I720 WeakPolarHBondContact O-CG1 3.49Å; L718-I720 PolarHBondContact O-N 3.17Å
721	Q	92.4	Very high	91.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-87.9	-20.7	178.2	-70.9	176.4	81.5	0	0	113.8	T687 L690 V691 S695 L717 L718 K719 K723 Y724 L725	T687-Q721 HydrophobicContact CG2-CG 4.34Å; L690-Q721 HydrophobicContact CB-CG 4.18Å; L690-Q721 HydrophobicContact CD1-CG 4.32Å; L690-Q721 PolarHBondContact O-OE1 3.4Å; V691-Q721 HydrophobicContact CG2-CB 4.34Å; V691-Q721 HydrophobicContact CG2-CG 4.02Å; S695-Q721 VanDerWaalsContact OG-CD 3.23Å; S695-Q721 PolarHBondContact OG-NE2 2.8Å; S695-Q721 PolarHBondContact OG-OE1 2.87Å; L717-Q721 WeakPolarHBondContact O-CG 3.25Å; L717-Q721 PolarHBondContact O-NE2 3.24Å; L718-Q721 PolarHBondContact O-N 3.29Å; L718-Q721 VanDerWaalsContact O-N 3.08Å; K719-Q721 PolarHBondContact O-N 3.31Å; Q721-K723 PolarHBondContact O-N 3.04Å; Q721-Y724 PolarHBondContact O-N 3Å; Q721-L725 HydrophobicContact CB-CD1 3.91Å; Q721-L725 HydrophobicContact CB-CG 4.36Å; Q721-L725 WeakPolarHBondContact O-CG 3.34Å; Q721-L725 PolarHBondContact O-N 3.2Å
722	T	90.6	Very high	91.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.9	-172.4	60	0	0	0	0	114	L718 K719 Y724 W729 R730 M737 I740 W752	L718-T722 VanDerWaalsContact O-CG2 3.31Å; L718-T722 WeakPolarHBondContact O-CG2 3.37Å; L718-T722 PolarHBondContact O-N 3.2Å; L718-T722 VanDerWaalsContact O-N 3.16Å; K719-T722 PolarHBondContact O-N 2.91Å; K719-T722 PolarHBondContact O-OG1 2.96Å; K719-T722 VanDerWaalsContact O-OG1 3.05Å; T722-Y724 VanDerWaalsContact C-N 3.33Å; T722-W729 HydrophobicContact CG2-CZ3 3.99Å; T722-R730 PolarHBondContact O-NE 2.81Å; T722-R730 PolarHBondContact O-NH2 3.41Å; T722-M737 HydrophobicContact CG2-SD 3.91Å; T722-I740 HydrophobicContact CG2-CD1 4.17Å; T722-W752 WeakPolarHBondContact CB-O 3.49Å; T722-W752 HydrophobicContact CG2-CE3 4.08Å; T722-W752 HydrophobicContact CG2-CZ3 4.46Å; T722-W752 PolarHBondContact OG1-O 3.45Å
723	K	85.9	Confident	91.4	Very high	51 Å²	51	44.9 Å²	44.9	22%	0.222	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.4	174	63.7	174.4	177.5	167.2	0	113.9	H684 Q721 I758	H684-K723 PolarHBondContact CD2-NZ 3.35Å; H684-K723 PolarHBondContact NE2-NZ 3.25Å; Q721-K723 PolarHBondContact O-N 3.04Å; K723-I758 HydrophobicContact CB-CD1 4.02Å; K723-I758 HydrophobicContact CD-CD1 3.96Å; K723-I758 HydrophobicContact CG-CD1 4.34Å
724	Y	86.9	Confident	91.1	Very high	33 Å²	33	49 Å²	49	13%	0.129	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-10.9	-178.9	-56.4	-70.7	0	0	0	114.3	H684 T687 M688 V691 Q721 T722 A760 F765	H684-Y724 PolarHBondContact CD2-OH 3.34Å; T687-Y724 HydrophobicContact CG2-CD2 4.14Å; T687-Y724 HydrophobicContact CG2-CE2 3.71Å; M688-Y724 HydrophobicContact SD-CD1 4.13Å; M688-Y724 HydrophobicContact SD-CG 4.38Å; V691-Y724 HydrophobicContact CG2-CD2 4.09Å; V691-Y724 HydrophobicContact CG2-CG 4.2Å; Q721-Y724 PolarHBondContact O-N 3Å; T722-Y724 VanDerWaalsContact C-N 3.33Å; Y724-A760 HydrophobicContact CD1-CB 4.2Å; Y724-A760 HydrophobicContact CE1-CB 3.82Å; Y724-F765 HydrophobicContact CE1-CE2 4.33Å; Y724-F765 HydrophobicContact CE1-CZ 4.45Å
725	L	88.4	Confident	90.7	Very high	40 Å²	40	55 Å²	55	21%	0.209	26%	0.259	C	S	.	.	S	Bend	trans	-90	-2.5	-175.6	-64.8	169.5	0	0	0	114	V691 A696 Q721 W729	V691-L725 HydrophobicContact CG1-CD2 4.37Å; A696-L725 HydrophobicContact CB-CD1 3.84Å; A696-L725 HydrophobicContact CB-CD2 4.36Å; Q721-L725 HydrophobicContact CB-CD1 3.91Å; Q721-L725 HydrophobicContact CB-CG 4.36Å; Q721-L725 WeakPolarHBondContact O-CG 3.34Å; Q721-L725 PolarHBondContact O-N 3.2Å; L725-W729 HydrophobicContact CB-CB 3.91Å; L725-W729 HydrophobicContact CB-CD2 3.91Å; L725-W729 HydrophobicContact CB-CE3 4.11Å; L725-W729 HydrophobicContact CB-CG 3.81Å; L725-W729 HydrophobicContact CD1-CD2 3.74Å; L725-W729 HydrophobicContact CD1-CE3 3.94Å; L725-W729 HydrophobicContact CD1-CG 4.31Å; L725-W729 HydrophobicContact CD1-CH2 4.09Å; L725-W729 HydrophobicContact CD1-CZ2 3.89Å; L725-W729 HydrophobicContact CD1-CZ3 4.11Å; L725-W729 HydrophobicContact CG-CD2 4.39Å; L725-W729 WeakPolarHBondContact O-CB 3.43Å
726	G	85.8	Confident	90.5	Very high	18 Å²	18	55 Å²	55	19%	0.186	26%	0.258	C	S	.	.	H	α-helix	trans	68.7	172.9	176	0	0	0	0	0	115.9	Q728	G726-Q728 PolarHBondContact O-N 2.91Å
727	R	86.7	Confident	90.4	Very high	153 Å²	153	53.7 Å²	53.7	58%	0.577	25%	0.253	S	S	*	.	H	α-helix	trans	-62.1	-42.6	-175.4	-61.1	179.9	-171.3	-150.9	-9.7	114.2	W729 R730 K731 G755 D757	R727-W729 VanDerWaalsContact C-N 3.34Å; R727-W729 PolarHBondContact O-N 3.03Å; R727-R730 PolarHBondContact O-N 3.03Å; R727-K731 PolarHBondContact O-N 3.49Å; R727-K731 VanDerWaalsContact O-N 3.1Å; R727-G755 VanDerWaalsContact CZ-O 3.25Å; R727-G755 PolarHBondContact NE-O 3.42Å; R727-G755 PolarHBondContact NH2-O 2.86Å; R727-D757 IonicContact CZ-OD2 3.71Å; R727-D757 IonicContact NE-OD2 2.9Å; R727-D757 PolarHBondContact NE-OD2 2.76Å; R727-D757 IonicContact NH2-OD2 3.81Å
728	Q	86.5	Confident	90.1	Very high	174 Å²	174	56.1 Å²	56.1	81%	0.813	27%	0.27	S	S	*	.	H	α-helix	trans	-63	-38.4	-176.3	-68	-172	-3.1	0	0	112.6	G726 K731 S732	G726-Q728 PolarHBondContact O-N 2.91Å; Q728-K731 PolarHBondContact O-N 3.15Å; Q728-S732 PolarHBondContact O-N 2.78Å; Q728-S732 VanDerWaalsContact O-N 3.1Å; Q728-S732 PolarHBondContact O-OG 3.39Å
729	W	89.9	Confident	89.9	Confident	41 Å²	41	56.7 Å²	56.7	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-43.3	176.2	-173.2	95.4	0	0	0	111.2	A696 T722 L725 R727 K731 S732 N733 T736 M737	A696-W729 HydrophobicContact CB-CZ2 4.18Å; T722-W729 HydrophobicContact CG2-CZ3 3.99Å; L725-W729 HydrophobicContact CB-CB 3.91Å; L725-W729 HydrophobicContact CB-CD2 3.91Å; L725-W729 HydrophobicContact CB-CE3 4.11Å; L725-W729 HydrophobicContact CB-CG 3.81Å; L725-W729 HydrophobicContact CD1-CD2 3.74Å; L725-W729 HydrophobicContact CD1-CE3 3.94Å; L725-W729 HydrophobicContact CD1-CG 4.31Å; L725-W729 HydrophobicContact CD1-CH2 4.09Å; L725-W729 HydrophobicContact CD1-CZ2 3.89Å; L725-W729 HydrophobicContact CD1-CZ3 4.11Å; L725-W729 HydrophobicContact CG-CD2 4.39Å; L725-W729 WeakPolarHBondContact O-CB 3.43Å; R727-W729 VanDerWaalsContact C-N 3.34Å; R727-W729 PolarHBondContact O-N 3.03Å; W729-K731 PolarHBondContact O-N 3.49Å; W729-S732 WeakPolarHBondContact CA-OG 3.14Å; W729-S732 PolarHBondContact O-N 3.04Å; W729-S732 PolarHBondContact O-OG 3.25Å; W729-S732 VanDerWaalsContact O-OG 3.05Å; W729-N733 HydrophobicContact CD2-CB 4.2Å; W729-N733 HydrophobicContact CE3-CB 4.14Å; W729-N733 HydrophobicContact CH2-CB 4Å; W729-N733 HydrophobicContact CZ2-CB 4.06Å; W729-N733 HydrophobicContact CZ3-CB 4.03Å; W729-N733 PolarHBondContact NE1-ND2 3.37Å; W729-N733 VanDerWaalsContact O-CB 3.27Å; W729-N733 WeakPolarHBondContact O-CB 3.43Å; W729-N733 PolarHBondContact O-N 2.99Å; W729-N733 PolarHBondContact O-ND2 3.1Å; W729-T736 HydrophobicContact CH2-CG2 4.37Å; W729-M737 HydrophobicContact CZ3-SD 4.11Å
730	R	89.3	Confident	89.8	Confident	16 Å²	16	55.6 Å²	55.6	6%	0.06	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-45.9	177.7	-60.2	174	-159.9	125.4	2.1	111.1	T722 R727 S732 N733 M734 M737 Y754	T722-R730 PolarHBondContact O-NE 2.81Å; T722-R730 PolarHBondContact O-NH2 3.41Å; R727-R730 PolarHBondContact O-N 3.03Å; R730-S732 PolarHBondContact O-N 3Å; R730-N733 CarbonylContact O-C 3.6Å; R730-N733 PolarHBondContact O-N 3.09Å; R730-M734 PolarHBondContact O-N 3.46Å; R730-M737 HydrophobicContact CB-CE 4.39Å; R730-M737 HydrophobicContact CB-SD 4.4Å; R730-M737 HydrophobicContact CG-CE 4.11Å; R730-M737 HydrophobicContact CG-SD 4.21Å; R730-Y754 PolarHBondContact NH1-O 3.05Å
731	K	89.1	Confident	89.7	Confident	176 Å²	176	60.7 Å²	60.7	77%	0.765	29%	0.287	S	S	*	.	H	α-helix	trans	-58.2	-45.6	176.9	-172.8	176.9	-178.7	178.2	0	112.2	R727 Q728 W729 N733	R727-K731 PolarHBondContact O-N 3.49Å; R727-K731 VanDerWaalsContact O-N 3.1Å; Q728-K731 PolarHBondContact O-N 3.15Å; W729-K731 PolarHBondContact O-N 3.49Å; K731-N733 VanDerWaalsContact C-N 3.32Å; K731-N733 PolarHBondContact O-N 2.99Å
732	S	90.7	Very high	89.6	Confident	84 Å²	84	66.6 Å²	66.6	59%	0.587	32%	0.315	S	S	*	.	H	α-helix	trans	-77.5	-11.6	179.4	53.7	0	0	0	0	114.6	Q728 W729 R730	Q728-S732 PolarHBondContact O-N 2.78Å; Q728-S732 VanDerWaalsContact O-N 3.1Å; Q728-S732 PolarHBondContact O-OG 3.39Å; W729-S732 WeakPolarHBondContact CA-OG 3.14Å; W729-S732 PolarHBondContact O-N 3.04Å; W729-S732 PolarHBondContact O-OG 3.25Å; W729-S732 VanDerWaalsContact O-OG 3.05Å; R730-S732 PolarHBondContact O-N 3Å
733	N	92.4	Very high	89.5	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.07	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	28.6	-177.8	-67.7	-85.6	0	0	0	113.1	K700 W729 R730 K731 K735 T736 M737	K700-N733 WeakPolarHBondContact CD-OD1 3.44Å; K700-N733 WeakPolarHBondContact CE-OD1 3.17Å; K700-N733 PolarHBondContact NZ-OD1 2.96Å; W729-N733 HydrophobicContact CD2-CB 4.2Å; W729-N733 HydrophobicContact CE3-CB 4.14Å; W729-N733 HydrophobicContact CH2-CB 4Å; W729-N733 HydrophobicContact CZ2-CB 4.06Å; W729-N733 HydrophobicContact CZ3-CB 4.03Å; W729-N733 PolarHBondContact NE1-ND2 3.37Å; W729-N733 VanDerWaalsContact O-CB 3.27Å; W729-N733 WeakPolarHBondContact O-CB 3.43Å; W729-N733 PolarHBondContact O-N 2.99Å; W729-N733 PolarHBondContact O-ND2 3.1Å; R730-N733 CarbonylContact O-C 3.6Å; R730-N733 PolarHBondContact O-N 3.09Å; K731-N733 VanDerWaalsContact C-N 3.32Å; K731-N733 PolarHBondContact O-N 2.99Å; N733-K735 VanDerWaalsContact C-N 3.29Å; N733-K735 PolarHBondContact O-N 2.84Å; N733-K735 VanDerWaalsContact O-N 3.16Å; N733-T736 WeakPolarHBondContact O-CA 3.4Å; N733-T736 VanDerWaalsContact O-CB 3.23Å; N733-T736 WeakPolarHBondContact O-CB 3.4Å; N733-T736 PolarHBondContact O-N 3.35Å; N733-M737 PolarHBondContact O-N 3.33Å
734	M	90	Very high	89.8	Confident	112 Å²	112	66.6 Å²	66.6	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-53.6	-39.9	-175.7	-165	59.8	67.6	0	0	113.8	R730 T736 M737 S738	R730-M734 PolarHBondContact O-N 3.46Å; M734-T736 VanDerWaalsContact C-N 3.28Å; M734-T736 PolarHBondContact O-N 3.32Å; M734-M737 WeakPolarHBondContact O-CB 3.27Å; M734-M737 PolarHBondContact O-N 2.91Å; M734-M737 VanDerWaalsContact O-N 3.08Å; M734-M737 HydrophobicContact SD-CB 4.25Å; M734-S738 PolarHBondContact O-N 2.82Å; M734-S738 PolarHBondContact O-OG 3.03Å; M734-S738 VanDerWaalsContact O-OG 3.13Å
735	K	90	Very high	89.9	Confident	128 Å²	128	67.8 Å²	67.8	56%	0.557	32%	0.32	S	S	*	.	H	α-helix	trans	-57	-39.5	173.6	-68.5	-173	178.1	-176.4	0	112.6	P314 N733 A739	P314-K735 HydrophobicContact CB-CB 4.32Å; N733-K735 VanDerWaalsContact C-N 3.29Å; N733-K735 PolarHBondContact O-N 2.84Å; N733-K735 VanDerWaalsContact O-N 3.16Å; K735-A739 WeakPolarHBondContact O-CB 3.45Å; K735-A739 PolarHBondContact O-N 3.03Å
736	T	92.3	Very high	89.9	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-42.2	174.8	-49.8	0	0	0	0	111.1	L703 L715 L718 W729 N733 M734 S738 A739 I740	L703-T736 HydrophobicContact CD1-CG2 4.3Å; L715-T736 HydrophobicContact CD2-CG2 4.47Å; L718-T736 HydrophobicContact CD1-CG2 3.8Å; W729-T736 HydrophobicContact CH2-CG2 4.37Å; N733-T736 WeakPolarHBondContact O-CA 3.4Å; N733-T736 VanDerWaalsContact O-CB 3.23Å; N733-T736 WeakPolarHBondContact O-CB 3.4Å; N733-T736 PolarHBondContact O-N 3.35Å; M734-T736 VanDerWaalsContact C-N 3.28Å; M734-T736 PolarHBondContact O-N 3.32Å; T736-S738 PolarHBondContact O-N 3.38Å; T736-A739 PolarHBondContact O-N 3.13Å; T736-I740 HydrophobicContact CG2-CD1 4.33Å; T736-I740 WeakPolarHBondContact O-CG1 3.49Å; T736-I740 PolarHBondContact O-N 3.49Å
737	M	92	Very high	89.8	Confident	15 Å²	15	69.5 Å²	69.5	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-45.8	175.7	-61.1	-64.7	-70.6	0	0	111.2	T722 W729 R730 N733 M734 A739 I740 Y741 W752 A753	T722-M737 HydrophobicContact CG2-SD 3.91Å; W729-M737 HydrophobicContact CZ3-SD 4.11Å; R730-M737 HydrophobicContact CB-CE 4.39Å; R730-M737 HydrophobicContact CB-SD 4.4Å; R730-M737 HydrophobicContact CG-CE 4.11Å; R730-M737 HydrophobicContact CG-SD 4.21Å; N733-M737 PolarHBondContact O-N 3.33Å; M734-M737 WeakPolarHBondContact O-CB 3.27Å; M734-M737 PolarHBondContact O-N 2.91Å; M734-M737 VanDerWaalsContact O-N 3.08Å; M734-M737 HydrophobicContact SD-CB 4.25Å; M737-A739 PolarHBondContact O-N 3.26Å; M737-I740 PolarHBondContact O-N 3.24Å; M737-Y741 PolarHBondContact O-N 3.18Å; M737-W752 HydrophobicContact CE-CE3 3.98Å; M737-W752 HydrophobicContact CE-CH2 4.23Å; M737-W752 HydrophobicContact CE-CZ3 3.46Å; M737-W752 VanDerWaalsContact CE-CZ3 3.46Å; M737-W752 HydrophobicContact SD-CZ3 3.97Å; M737-A753 HydrophobicContact CE-CB 4.19Å
738	S	90.9	Very high	89.5	Confident	50 Å²	50	66 Å²	66	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.6	-54.7	0	0	0	0	112.4	M734 T736 Y741 Q742	M734-S738 PolarHBondContact O-N 2.82Å; M734-S738 PolarHBondContact O-OG 3.03Å; M734-S738 VanDerWaalsContact O-OG 3.13Å; T736-S738 PolarHBondContact O-N 3.38Å; S738-Y741 WeakPolarHBondContact O-CB 3.43Å; S738-Y741 PolarHBondContact O-N 3.42Å; S738-Q742 WeakPolarHBondContact O-CB 3.49Å; S738-Q742 VanDerWaalsContact O-CG 3.27Å; S738-Q742 WeakPolarHBondContact O-CG 3.37Å; S738-Q742 PolarHBondContact O-N 2.98Å
739	A	91.7	Very high	89.2	Confident	12 Å²	12	61 Å²	61	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-38.7	175.7	0	0	0	0	0	112.4	L715 K735 T736 M737 Y741 Q742 K743	L715-A739 HydrophobicContact CD1-CB 4.18Å; L715-A739 HydrophobicContact CD2-CB 3.8Å; K735-A739 WeakPolarHBondContact O-CB 3.45Å; K735-A739 PolarHBondContact O-N 3.03Å; T736-A739 PolarHBondContact O-N 3.13Å; M737-A739 PolarHBondContact O-N 3.26Å; A739-Y741 VanDerWaalsContact C-N 3.34Å; A739-Q742 PolarHBondContact O-N 3.24Å; A739-K743 WeakPolarHBondContact O-CB 3.33Å; A739-K743 WeakPolarHBondContact O-CG 3.18Å; A739-K743 PolarHBondContact O-N 2.95Å; A739-K743 VanDerWaalsContact O-N 3.13Å
740	I	92.8	Very high	88.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-47.5	171.3	-66.3	165.2	0	0	0	109.6	L715 L718 K719 T722 T736 M737 Q742 K743 V744 H746 W752	L715-I740 HydrophobicContact CB-CG1 4.25Å; L715-I740 HydrophobicContact CD2-CG1 3.89Å; L718-I740 HydrophobicContact CB-CD1 4.15Å; K719-I740 HydrophobicContact CB-CD1 4.32Å; K719-I740 HydrophobicContact CB-CG2 3.78Å; K719-I740 HydrophobicContact CD-CG2 3.8Å; K719-I740 HydrophobicContact CG-CG2 3.84Å; T722-I740 HydrophobicContact CG2-CD1 4.17Å; T736-I740 HydrophobicContact CG2-CD1 4.33Å; T736-I740 WeakPolarHBondContact O-CG1 3.49Å; T736-I740 PolarHBondContact O-N 3.49Å; M737-I740 PolarHBondContact O-N 3.24Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 2.89Å; I740-K743 PolarHBondContact O-N 3.29Å; I740-V744 HydrophobicContact CG2-CB 4.19Å; I740-V744 HydrophobicContact CG2-CG2 4.14Å; I740-V744 WeakPolarHBondContact O-CB 3.38Å; I740-V744 PolarHBondContact O-N 2.91Å; I740-H746 PolarHBondContact O-NE2 2.73Å; I740-W752 HydrophobicContact CB-CH2 3.79Å; I740-W752 HydrophobicContact CB-CZ3 3.89Å; I740-W752 HydrophobicContact CD1-CZ3 4.01Å; I740-W752 HydrophobicContact CG2-CD2 4.46Å; I740-W752 HydrophobicContact CG2-CE3 4.05Å; I740-W752 HydrophobicContact CG2-CH2 3.41Å; I740-W752 VanDerWaalsContact CG2-CH2 3.41Å; I740-W752 HydrophobicContact CG2-CZ2 3.86Å; I740-W752 HydrophobicContact CG2-CZ3 3.51Å
741	Y	90.2	Very high	88.2	Confident	156 Å²	156	64.6 Å²	64.6	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-38.1	179.2	-169.8	-91.6	0	0	0	113.3	M737 S738 A739 H746	M737-Y741 PolarHBondContact O-N 3.18Å; S738-Y741 WeakPolarHBondContact O-CB 3.43Å; S738-Y741 PolarHBondContact O-N 3.42Å; A739-Y741 VanDerWaalsContact C-N 3.34Å; Y741-H746 WeakPolarHBondContact CA-NE2 3.41Å
742	Q	89.4	Confident	87.9	Confident	126 Å²	126	57.2 Å²	57.2	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-85	-12.2	-177.2	-71.2	174.1	0.6	0	0	115	L423 S738 A739 I740	L423-Q742 VanDerWaalsContact CD2-C 3.46Å; L423-Q742 VanDerWaalsContact CD2-O 3.25Å; L423-Q742 WeakPolarHBondContact CD2-O 3.35Å; S738-Q742 WeakPolarHBondContact O-CB 3.49Å; S738-Q742 VanDerWaalsContact O-CG 3.27Å; S738-Q742 WeakPolarHBondContact O-CG 3.37Å; S738-Q742 PolarHBondContact O-N 2.98Å; A739-Q742 PolarHBondContact O-N 3.24Å; I740-Q742 VanDerWaalsContact C-N 3.34Å; I740-Q742 PolarHBondContact O-N 2.89Å
743	K	89.1	Confident	87.4	Confident	43 Å²	43	55.8 Å²	55.8	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-131	-26.2	-171.3	-58.1	-67.9	177.1	174.2	0	115	R309 W425 L712 L715 A739 I740	R309-K743 PolarHBondContact O-NZ 3.15Å; W425-K743 PolarHBondContact NE1-O 3.44Å; L712-K743 VanDerWaalsContact CD1-O 3.3Å; L712-K743 WeakPolarHBondContact CD1-O 3.45Å; L715-K743 HydrophobicContact CD1-CB 3.93Å; L715-K743 HydrophobicContact CD1-CG 4.18Å; A739-K743 WeakPolarHBondContact O-CB 3.33Å; A739-K743 WeakPolarHBondContact O-CG 3.18Å; A739-K743 PolarHBondContact O-N 2.95Å; A739-K743 VanDerWaalsContact O-N 3.13Å; I740-K743 PolarHBondContact O-N 3.29Å
744	V	91.8	Very high	86.6	Confident	8 Å²	8	63.2 Å²	63.2	5%	0.048	30%	0.303	C	S	.	.	S	Bend	trans	-101.1	133.3	-174.3	-173.6	0	0	0	0	110.4	L712 L715 K716 K719 I740 H746	L712-V744 HydrophobicContact CD1-CG2 4.22Å; L715-V744 HydrophobicContact CB-CG2 3.61Å; K716-V744 HydrophobicContact CG-CG1 3.86Å; K716-V744 HydrophobicContact CG-CG2 4.41Å; K719-V744 HydrophobicContact CD-CB 4.3Å; K719-V744 HydrophobicContact CD-CG1 3.67Å; I740-V744 HydrophobicContact CG2-CB 4.19Å; I740-V744 HydrophobicContact CG2-CG2 4.14Å; I740-V744 WeakPolarHBondContact O-CB 3.38Å; I740-V744 PolarHBondContact O-N 2.91Å; V744-H746 PolarHBondContact O-N 3Å
745	R	89.9	Confident	85.4	Confident	58 Å²	58	59 Å²	59	22%	0.219	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-49.4	130.1	174.8	-177.1	-175	-64.4	107.4	-4	111.4	E299 W425 A426 K719	E299-R745 IonicContact OE1-CZ 3.34Å; E299-R745 IonicContact OE1-NE 3.52Å; E299-R745 PolarHBondContact OE1-NE 2.77Å; E299-R745 IonicContact OE1-NH2 2.67Å; E299-R745 PolarHBondContact OE1-NH2 3.09Å; W425-R745 HydrophobicContact CB-CB 3.74Å; W425-R745 HydrophobicContact CB-CG 3.72Å; W425-R745 VanDerWaalsContact CD1-N 3.33Å; W425-R745 HydrophobicContact CD2-CB 4.26Å; W425-R745 HydrophobicContact CG-CB 3.71Å; W425-R745 HydrophobicContact CG-CG 4.27Å; A426-R745 WeakPolarHBondContact O-CD 3.47Å; A426-R745 PolarHBondContact O-NE 3.23Å; K719-R745 PolarHBondContact NZ-O 3.49Å
746	H	87.3	Confident	84.4	Confident	41 Å²	41	57.1 Å²	57.1	19%	0.19	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-91	155.4	169.6	-63.5	-51.4	0	0	0	112.7	L423 K719 I740 Y741 V744 D750 W752	L423-H746 WeakPolarHBondContact CD1-CD2 3.4Å; K719-H746 PolarHBondContact NZ-CE1 3.29Å; K719-H746 PolarHBondContact NZ-ND1 3.5Å; I740-H746 PolarHBondContact O-NE2 2.73Å; Y741-H746 WeakPolarHBondContact CA-NE2 3.41Å; V744-H746 PolarHBondContact O-N 3Å; H746-D750 VanDerWaalsContact CA-OD2 3.24Å; H746-D750 WeakPolarHBondContact CA-OD2 3.38Å; H746-D750 IonicContact CE1-OD2 2.91Å; H746-D750 PolarHBondContact CE1-OD2 3.33Å; H746-D750 IonicContact ND1-OD2 3.88Å; H746-W752 AromaticContact CE1-CD1 3.94Å; H746-W752 AromaticContact CE1-CE2 3.7Å; H746-W752 AromaticContact CE1-CZ2 4Å; H746-W752 AromaticContact CE1-NE1 3Å; H746-W752 PolarHBondContact CE1-NE1 2.73Å; H746-W752 AromaticContact ND1-NE1 3.77Å; H746-W752 AromaticContact NE2-CE2 3.48Å; H746-W752 AromaticContact NE2-CH2 3.72Å; H746-W752 AromaticContact NE2-CZ2 2.85Å; H746-W752 WeakPolarHBondContact NE2-CZ2 3.27Å; H746-W752 AromaticContact NE2-NE1 3.78Å
747	R	83.3	Confident	83	Confident	52 Å²	52	61.7 Å²	61.7	20%	0.196	31%	0.309	C	S	.	.			trans	-106.4	162.4	167.2	-55.1	178.8	145.9	-130.7	-19.4	108.8	D433 W682 N749 D750	D433-R747 IonicContact OD1-NH1 3.4Å; D433-R747 IonicContact OD2-CZ 2.88Å; D433-R747 IonicContact OD2-NH1 2.82Å; D433-R747 PolarHBondContact OD2-NH1 3.24Å; W682-R747 VanDerWaalsContact CH2-CZ 3.47Å; W682-R747 VanDerWaalsContact CH2-NH1 3.3Å; R747-N749 VanDerWaalsContact C-N 3.32Å; R747-D750 HydrophobicContact CB-CB 4.17Å; R747-D750 WeakPolarHBondContact CB-OD1 3.4Å; R747-D750 WeakPolarHBondContact CD-OD1 3.13Å; R747-D750 WeakPolarHBondContact CG-OD1 3.45Å; R747-D750 VanDerWaalsContact N-CG 3.26Å; R747-D750 PolarHBondContact N-OD2 2.67Å; R747-D750 WeakPolarHBondContact O-CB 3.49Å
748	L	82.1	Confident	82	Confident	79 Å²	79	64.6 Å²	64.6	41%	0.414	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.1	177.2	-60.5	-179.8	0	0	0	111.7	P427 V429 T470 L471 H474	P427-L748 HydrophobicContact CB-CD2 4.39Å; P427-L748 HydrophobicContact CB-CG 4.49Å; V429-L748 HydrophobicContact CG2-CB 4.41Å; V429-L748 HydrophobicContact CG2-CD1 3.91Å; V429-L748 HydrophobicContact CG2-CG 4.2Å; T470-L748 HydrophobicContact CG2-CD1 4.08Å; L471-L748 HydrophobicContact CD2-CB 3.91Å; L471-L748 HydrophobicContact CD2-CD1 4.05Å; H474-L748 HydrophobicContact CB-CD1 4.33Å
749	N	78.6	Confident	80.9	Confident	70 Å²	70	69.1 Å²	69.1	37%	0.374	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	31.9	178.3	-56.7	-6	0	0	0	111.9	D433 R747 D751	D433-N749 PolarHBondContact O-ND2 2.95Å; R747-N749 VanDerWaalsContact C-N 3.32Å; N749-D751 PolarHBondContact O-N 3.05Å
750	D	79.6	Confident	80	Confident	46 Å²	46	69.2 Å²	69.2	25%	0.246	35%	0.345	C	S	.	.			trans	-76.5	107.1	-178.8	-107.7	1.6	0	0	0	111.3	K719 H746 R747	K719-D750 WeakPolarHBondContact CE-OD2 3.36Å; K719-D750 IonicContact NZ-OD1 3.46Å; K719-D750 IonicContact NZ-OD2 3.86Å; K719-D750 PolarHBondContact NZ-OD2 3.01Å; H746-D750 VanDerWaalsContact CA-OD2 3.24Å; H746-D750 WeakPolarHBondContact CA-OD2 3.38Å; H746-D750 IonicContact CE1-OD2 2.91Å; H746-D750 PolarHBondContact CE1-OD2 3.33Å; H746-D750 IonicContact ND1-OD2 3.88Å; R747-D750 HydrophobicContact CB-CB 4.17Å; R747-D750 WeakPolarHBondContact CB-OD1 3.4Å; R747-D750 WeakPolarHBondContact CD-OD1 3.13Å; R747-D750 WeakPolarHBondContact CG-OD1 3.45Å; R747-D750 VanDerWaalsContact N-CG 3.26Å; R747-D750 PolarHBondContact N-OD2 2.67Å; R747-D750 WeakPolarHBondContact O-CB 3.49Å
751	D	78.3	Confident	79.2	Confident	87 Å²	87	74.5 Å²	74.5	47%	0.465	37%	0.365	S	S	.	.			trans	-95	-4.9	179.6	72.3	-26.7	0	0	0	114.3	N749 A753 Y754	N749-D751 PolarHBondContact O-N 3.05Å; D751-A753 PolarHBondContact O-N 3.16Å; D751-Y754 VanDerWaalsContact O-CB 3.31Å; D751-Y754 WeakPolarHBondContact O-CB 3.33Å; D751-Y754 PolarHBondContact O-N 3.18Å
752	W	84.1	Confident	78.3	Confident	21 Å²	21	70 Å²	70	8%	0.08	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.4	-171.9	70.5	-80.3	0	0	0	116.1	K719 T722 M737 I740 H746	K719-W752 HydrophobicContact CD-CD2 4.37Å; K719-W752 HydrophobicContact CD-CG 4.43Å; K719-W752 VanDerWaalsContact CE-CD1 3.43Å; K719-W752 HydrophobicContact CG-CB 4.36Å; K719-W752 HydrophobicContact CG-CD2 3.92Å; K719-W752 HydrophobicContact CG-CE3 4.1Å; K719-W752 HydrophobicContact CG-CG 4Å; T722-W752 WeakPolarHBondContact CB-O 3.49Å; T722-W752 HydrophobicContact CG2-CE3 4.08Å; T722-W752 HydrophobicContact CG2-CZ3 4.46Å; T722-W752 PolarHBondContact OG1-O 3.45Å; M737-W752 HydrophobicContact CE-CE3 3.98Å; M737-W752 HydrophobicContact CE-CH2 4.23Å; M737-W752 HydrophobicContact CE-CZ3 3.46Å; M737-W752 VanDerWaalsContact CE-CZ3 3.46Å; M737-W752 HydrophobicContact SD-CZ3 3.97Å; I740-W752 HydrophobicContact CB-CH2 3.79Å; I740-W752 HydrophobicContact CB-CZ3 3.89Å; I740-W752 HydrophobicContact CD1-CZ3 4.01Å; I740-W752 HydrophobicContact CG2-CD2 4.46Å; I740-W752 HydrophobicContact CG2-CE3 4.05Å; I740-W752 HydrophobicContact CG2-CH2 3.41Å; I740-W752 VanDerWaalsContact CG2-CH2 3.41Å; I740-W752 HydrophobicContact CG2-CZ2 3.86Å; I740-W752 HydrophobicContact CG2-CZ3 3.51Å; H746-W752 AromaticContact CE1-CD1 3.94Å; H746-W752 AromaticContact CE1-CE2 3.7Å; H746-W752 AromaticContact CE1-CZ2 4Å; H746-W752 AromaticContact CE1-NE1 3Å; H746-W752 PolarHBondContact CE1-NE1 2.73Å; H746-W752 AromaticContact ND1-NE1 3.77Å; H746-W752 AromaticContact NE2-CE2 3.48Å; H746-W752 AromaticContact NE2-CH2 3.72Å; H746-W752 AromaticContact NE2-CZ2 2.85Å; H746-W752 WeakPolarHBondContact NE2-CZ2 3.27Å; H746-W752 AromaticContact NE2-NE1 3.78Å
753	A	80.6	Confident	77.5	Confident	54 Å²	54	71 Å²	71	45%	0.446	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-16	177.8	0	0	0	0	0	113.4	M737 D751	M737-A753 HydrophobicContact CE-CB 4.19Å; D751-A753 PolarHBondContact O-N 3.16Å
754	Y	75.9	Confident	76.8	Confident	168 Å²	168	72 Å²	72	66%	0.659	36%	0.361	S	S	*	.	S	Bend	trans	-73.4	154.8	-175.9	-132.2	-99	0	0	0	112.1	R730 D751 N756	R730-Y754 PolarHBondContact NH1-O 3.05Å; D751-Y754 VanDerWaalsContact O-CB 3.31Å; D751-Y754 WeakPolarHBondContact O-CB 3.33Å; D751-Y754 PolarHBondContact O-N 3.18Å; Y754-N756 PolarHBondContact O-N 2.78Å; Y754-N756 VanDerWaalsContact O-N 3.08Å
755	G	63.2	Low	76.2	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	37%	0.365	C	S	.	.			trans	-73.9	7.8	-170.8	0	0	0	0	0	115.8	R727 D757	R727-G755 VanDerWaalsContact CZ-O 3.25Å; R727-G755 PolarHBondContact NE-O 3.42Å; R727-G755 PolarHBondContact NH2-O 2.86Å; G755-D757 PolarHBondContact O-N 3.36Å
756	N	69.1	Low	75.6	Confident	89 Å²	89	76.4 Å²	76.4	48%	0.476	38%	0.382	S	S	.	.			trans	-71.3	121.2	-170.5	-61.5	-7.2	0	0	0	109.4	Y754	Y754-N756 PolarHBondContact O-N 2.78Å; Y754-N756 VanDerWaalsContact O-N 3.08Å
757	D	63.7	Low	75.5	Confident	97 Å²	97	78 Å²	78	52%	0.519	40%	0.403	S	S	.	.			trans	-89.6	106.7	175.4	-61.4	-61.5	0	0	0	106.2	R727 G755	R727-D757 IonicContact CZ-OD2 3.71Å; R727-D757 IonicContact NE-OD2 2.9Å; R727-D757 PolarHBondContact NE-OD2 2.76Å; R727-D757 IonicContact NH2-OD2 3.81Å; G755-D757 PolarHBondContact O-N 3.36Å
758	I	70.5	Confident	75.5	Confident	77 Å²	77	79.5 Å²	79.5	40%	0.395	41%	0.412	S	S	.	.			trans	-85.8	115.3	-179.7	-50.1	177.6	0	0	0	107	K723 A760	K723-I758 HydrophobicContact CB-CD1 4.02Å; K723-I758 HydrophobicContact CD-CD1 3.96Å; K723-I758 HydrophobicContact CG-CD1 4.34Å; I758-A760 HydrophobicContact CB-CB 4.43Å; I758-A760 HydrophobicContact CG2-CB 3.74Å; I758-A760 PolarHBondContact O-N 3.32Å
759	D	68.1	Low	75.7	Confident	144 Å²	144	77.1 Å²	77.1	77%	0.77	40%	0.399	S	S	*	.			trans	-73.1	76.7	168.7	-170.9	18.3	0	0	0	109.3
760	A	73	Confident	76.2	Confident	14 Å²	14	76.5 Å²	76.5	12%	0.116	40%	0.4	C	S	.	.			trans	-113.8	117.2	-178	0	0	0	0	0	109.6	M688 Y724 I758 F765	M688-A760 WeakPolarHBondContact CE-O 3.5Å; Y724-A760 HydrophobicContact CD1-CB 4.2Å; Y724-A760 HydrophobicContact CE1-CB 3.82Å; I758-A760 HydrophobicContact CB-CB 4.43Å; I758-A760 HydrophobicContact CG2-CB 3.74Å; I758-A760 PolarHBondContact O-N 3.32Å; A760-F765 HydrophobicContact CB-CE2 3.96Å; A760-F765 HydrophobicContact CB-CZ 3.91Å
761	R	76.6	Confident	76.7	Confident	111 Å²	111	76.7 Å²	76.7	42%	0.419	41%	0.408	S	S	.	.			trans	-101.8	155.1	-177.1	-50.5	167.2	-56.7	176.2	4.7	109.2	W763 D764	R761-W763 HydrophobicContact CB-CD2 4.05Å; R761-W763 HydrophobicContact CB-CE3 4.37Å; R761-W763 HydrophobicContact CB-CH2 4.07Å; R761-W763 HydrophobicContact CB-CZ2 3.7Å; R761-W763 HydrophobicContact CB-CZ3 4.37Å; R761-W763 HydrophobicContact CG-CZ2 4.12Å; R761-W763 VanDerWaalsContact CZ-NE1 3.31Å; R761-W763 PolarHBondContact O-N 3.23Å; R761-W763 VanDerWaalsContact O-N 3.07Å; R761-D764 WeakPolarHBondContact CA-OD2 3.23Å; R761-D764 WeakPolarHBondContact CB-OD2 3.45Å; R761-D764 IonicContact CZ-OD1 3.27Å; R761-D764 PolarHBondContact N-OD2 3.03Å; R761-D764 IonicContact NE-OD1 2.77Å; R761-D764 PolarHBondContact NE-OD1 2.71Å; R761-D764 IonicContact NE-OD2 3.17Å; R761-D764 PolarHBondContact NE-OD2 3.4Å; R761-D764 VanDerWaalsContact NE-OD2 3.17Å; R761-D764 IonicContact NH2-OD1 3.94Å; R761-D764 PolarHBondContact NH2-OD1 3.02Å; R761-D764 IonicContact NH2-OD2 2.69Å; R761-D764 PolarHBondContact O-N 3.1Å; R761-D764 VanDerWaalsContact O-N 3.08Å
762	P	70.8	Confident	77.3	Confident	62 Å²	62	73.7 Å²	73.7	40%	0.403	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.9	-172.4	-28.5	36.4	0	0	0	115.6	M688 V692	M688-P762 HydrophobicContact CE-CG 4.05Å; M688-P762 HydrophobicContact CG-CB 4.41Å; M688-P762 HydrophobicContact CG-CG 4.38Å; V692-P762 HydrophobicContact CG2-CG 4.16Å
763	W	71.6	Confident	77.6	Confident	148 Å²	148	78.6 Å²	78.6	56%	0.561	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.4	-178.9	52.4	84	0	0	0	114.4	R761 F765 Q766	R761-W763 HydrophobicContact CB-CD2 4.05Å; R761-W763 HydrophobicContact CB-CE3 4.37Å; R761-W763 HydrophobicContact CB-CH2 4.07Å; R761-W763 HydrophobicContact CB-CZ2 3.7Å; R761-W763 HydrophobicContact CB-CZ3 4.37Å; R761-W763 HydrophobicContact CG-CZ2 4.12Å; R761-W763 VanDerWaalsContact CZ-NE1 3.31Å; R761-W763 PolarHBondContact O-N 3.23Å; R761-W763 VanDerWaalsContact O-N 3.07Å; W763-F765 PolarHBondContact O-N 3.16Å; W763-Q766 WeakPolarHBondContact O-CB 2.85Å; W763-Q766 PolarHBondContact O-N 3.31Å
764	D	75.1	Confident	78.1	Confident	64 Å²	64	80.7 Å²	80.7	34%	0.342	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15	-175.7	-61	-33.1	0	0	0	112.6	R761	R761-D764 WeakPolarHBondContact CA-OD2 3.23Å; R761-D764 WeakPolarHBondContact CB-OD2 3.45Å; R761-D764 IonicContact CZ-OD1 3.27Å; R761-D764 PolarHBondContact N-OD2 3.03Å; R761-D764 IonicContact NE-OD1 2.77Å; R761-D764 PolarHBondContact NE-OD1 2.71Å; R761-D764 IonicContact NE-OD2 3.17Å; R761-D764 PolarHBondContact NE-OD2 3.4Å; R761-D764 VanDerWaalsContact NE-OD2 3.17Å; R761-D764 IonicContact NH2-OD1 3.94Å; R761-D764 PolarHBondContact NH2-OD1 3.02Å; R761-D764 IonicContact NH2-OD2 2.69Å; R761-D764 PolarHBondContact O-N 3.1Å; R761-D764 VanDerWaalsContact O-N 3.08Å
765	F	78.1	Confident	78.9	Confident	33 Å²	33	74.5 Å²	74.5	15%	0.145	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	9.1	177.2	-51.3	-66.8	0	0	0	114.1	H684 Y724 A760 W763 A767 E768	H684-F765 HydrophobicContact CB-CB 4.05Å; H684-F765 HydrophobicContact CB-CD1 3.27Å; H684-F765 HydrophobicContact CB-CD2 3.85Å; H684-F765 HydrophobicContact CB-CE1 3.58Å; H684-F765 HydrophobicContact CB-CE2 4.11Å; H684-F765 HydrophobicContact CB-CG 3.42Å; H684-F765 VanDerWaalsContact CB-CG 3.42Å; H684-F765 HydrophobicContact CB-CZ 3.99Å; H684-F765 AromaticContact CG-CD1 3.96Å; H684-F765 AromaticContact CG-CE1 3.92Å; Y724-F765 HydrophobicContact CE1-CE2 4.33Å; Y724-F765 HydrophobicContact CE1-CZ 4.45Å; A760-F765 HydrophobicContact CB-CE2 3.96Å; A760-F765 HydrophobicContact CB-CZ 3.91Å; W763-F765 PolarHBondContact O-N 3.16Å; F765-A767 VanDerWaalsContact C-N 3.29Å; F765-A767 PolarHBondContact O-N 3.32Å; F765-E768 PolarHBondContact O-N 3.47Å
766	Q	78.8	Confident	80.3	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-66.7	-32.8	-178.6	-169.9	168	0	0	0	112	W763 E768 E769 C770	W763-Q766 WeakPolarHBondContact O-CB 2.85Å; W763-Q766 PolarHBondContact O-N 3.31Å; Q766-E768 VanDerWaalsContact C-N 3.33Å; Q766-E768 PolarHBondContact O-N 3.5Å; Q766-E769 PolarHBondContact O-N 2.88Å; Q766-C770 PolarHBondContact O-N 3.45Å; Q766-C770 VanDerWaalsContact O-N 3.09Å; Q766-C770 PolarHBondContact O-SG 2.9Å; Q766-C770 VanDerWaalsContact O-SG 3.4Å
767	A	83.8	Confident	81.3	Confident	76 Å²	76	74 Å²	74	63%	0.628	38%	0.38	S	S	*	.	H	α-helix	trans	-60.3	-37.4	174.7	0	0	0	0	0	113.2	F765 E769 C770 A771	F765-A767 VanDerWaalsContact C-N 3.29Å; F765-A767 PolarHBondContact O-N 3.32Å; A767-E769 VanDerWaalsContact C-N 3.35Å; A767-E769 PolarHBondContact O-N 3.08Å; A767-C770 PolarHBondContact O-N 2.86Å; A767-A771 WeakPolarHBondContact O-CB 3.26Å; A767-A771 PolarHBondContact O-N 2.91Å
768	E	84.7	Confident	82.5	Confident	83 Å²	83	73.8 Å²	73.8	39%	0.388	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-41.1	177.3	-66.1	-175.1	173.4	0	0	111.8	H684 F765 Q766 L772	H684-E768 IonicContact CE1-OE1 3.43Å; H684-E768 IonicContact CG-OE1 3.53Å; H684-E768 IonicContact CG-OE2 2.77Å; H684-E768 IonicContact ND1-OE1 3.57Å; H684-E768 PolarHBondContact ND1-OE1 2.93Å; H684-E768 IonicContact ND1-OE2 3.7Å; H684-E768 PolarHBondContact ND1-OE2 3.39Å; F765-E768 PolarHBondContact O-N 3.47Å; Q766-E768 VanDerWaalsContact C-N 3.33Å; Q766-E768 PolarHBondContact O-N 3.5Å; E768-L772 VanDerWaalsContact O-CB 3.3Å; E768-L772 WeakPolarHBondContact O-CB 3.31Å; E768-L772 PolarHBondContact O-N 3.4Å; E768-L772 VanDerWaalsContact O-N 3.15Å
769	E	86.2	Confident	83.6	Confident	28 Å²	28	70.1 Å²	70.1	13%	0.131	36%	0.356	C	S	.	.	H	α-helix	trans	-76.4	-33.1	179.2	-67.2	-71.2	165.2	0	0	112.2	R686 Q766 A767 R773	R686-E769 WeakPolarHBondContact CG-OE1 3.38Å; R686-E769 IonicContact CZ-OE1 2.74Å; R686-E769 IonicContact CZ-OE2 2.7Å; R686-E769 IonicContact NE-OE1 3.49Å; R686-E769 PolarHBondContact NE-OE1 3.02Å; R686-E769 IonicContact NE-OE2 3.01Å; R686-E769 PolarHBondContact NE-OE2 3Å; R686-E769 IonicContact NH2-OE1 2.68Å; R686-E769 PolarHBondContact NH2-OE1 3Å; R686-E769 IonicContact NH2-OE2 2.94Å; R686-E769 PolarHBondContact NH2-OE2 3.3Å; Q766-E769 PolarHBondContact O-N 2.88Å; A767-E769 VanDerWaalsContact C-N 3.35Å; A767-E769 PolarHBondContact O-N 3.08Å; E769-R773 WeakPolarHBondContact O-CB 3.33Å; E769-R773 PolarHBondContact O-N 2.72Å
770	C	87.6	Confident	84.6	Confident	58 Å²	58	64.3 Å²	64.3	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-49.9	173.8	-70.5	0	0	0	0	111.8	Q766 A767 L772 R773 E774	Q766-C770 PolarHBondContact O-N 3.45Å; Q766-C770 VanDerWaalsContact O-N 3.09Å; Q766-C770 PolarHBondContact O-SG 2.9Å; Q766-C770 VanDerWaalsContact O-SG 3.4Å; A767-C770 PolarHBondContact O-N 2.86Å; C770-L772 VanDerWaalsContact C-N 3.29Å; C770-L772 PolarHBondContact O-N 3.2Å; C770-R773 WeakPolarHBondContact O-CB 3.33Å; C770-R773 PolarHBondContact O-N 2.91Å; C770-R773 VanDerWaalsContact O-N 3.15Å; C770-E774 PolarHBondContact O-N 2.93Å
771	A	90.3	Very high	85.2	Confident	50 Å²	50	66.7 Å²	66.7	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-35.3	177.6	0	0	0	0	0	112.3	A767 S775	A767-A771 WeakPolarHBondContact O-CB 3.26Å; A767-A771 PolarHBondContact O-N 2.91Å; A771-S775 PolarHBondContact O-N 3.02Å; A771-S775 PolarHBondContact O-OG 2.77Å
772	L	91.1	Very high	85.7	Confident	24 Å²	24	65.2 Å²	65.2	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-43.2	172.5	177.6	65.8	0	0	0	112.1	Y596 E599 K683 E768 C770 S775 I776	Y596-L772 HydrophobicContact CE1-CD1 4.36Å; E599-L772 HydrophobicContact CB-CD1 4.22Å; E599-L772 HydrophobicContact CG-CD1 4.07Å; K683-L772 HydrophobicContact CD-CD2 4.48Å; E768-L772 VanDerWaalsContact O-CB 3.3Å; E768-L772 WeakPolarHBondContact O-CB 3.31Å; E768-L772 PolarHBondContact O-N 3.4Å; E768-L772 VanDerWaalsContact O-N 3.15Å; C770-L772 VanDerWaalsContact C-N 3.29Å; C770-L772 PolarHBondContact O-N 3.2Å; L772-S775 WeakPolarHBondContact O-CB 3.27Å; L772-S775 PolarHBondContact O-N 3.12Å; L772-I776 HydrophobicContact CD1-CD1 4.35Å; L772-I776 HydrophobicContact CG-CD1 4.03Å; L772-I776 WeakPolarHBondContact O-CD1 3.33Å; L772-I776 VanDerWaalsContact O-CG1 3.3Å; L772-I776 WeakPolarHBondContact O-CG1 3.29Å; L772-I776 PolarHBondContact O-N 3.08Å
773	R	90.4	Very high	86.5	Confident	124 Å²	124	64.4 Å²	64.4	47%	0.468	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-46.3	177	-174.4	-175.4	63.2	-175.7	-2.3	111.1	E769 C770 S775 I776 E777	E769-R773 WeakPolarHBondContact O-CB 3.33Å; E769-R773 PolarHBondContact O-N 2.72Å; C770-R773 WeakPolarHBondContact O-CB 3.33Å; C770-R773 PolarHBondContact O-N 2.91Å; C770-R773 VanDerWaalsContact O-N 3.15Å; R773-S775 VanDerWaalsContact C-N 3.27Å; R773-S775 PolarHBondContact O-N 3.27Å; R773-I776 WeakPolarHBondContact O-CB 3.21Å; R773-I776 PolarHBondContact O-N 3.07Å; R773-I776 VanDerWaalsContact O-N 3.09Å; R773-E777 WeakPolarHBondContact CD-OE1 3.3Å; R773-E777 HydrophobicContact CG-CG 4.41Å; R773-E777 VanDerWaalsContact CG-OE1 3.27Å; R773-E777 WeakPolarHBondContact CG-OE1 3.27Å; R773-E777 IonicContact NE-OE1 3.29Å; R773-E777 WeakPolarHBondContact O-CG 3.24Å; R773-E777 PolarHBondContact O-N 3.42Å
774	E	91.1	Very high	87.2	Confident	97 Å²	97	59.2 Å²	59.2	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-58.5	-39.6	176.1	-173.1	-171.7	161.8	0	0	112	C770 I776 E777 K778	C770-E774 PolarHBondContact O-N 2.93Å; E774-I776 PolarHBondContact O-N 3.19Å; E774-E777 PolarHBondContact O-N 3.44Å; E774-K778 HydrophobicContact CG-CD 4.45Å; E774-K778 WeakPolarHBondContact O-CG 3.4Å; E774-K778 PolarHBondContact O-N 3.48Å; E774-K778 VanDerWaalsContact OE1-CE 3.27Å; E774-K778 WeakPolarHBondContact OE1-CE 3.41Å; E774-K778 IonicContact OE1-NZ 3.91Å; E774-K778 PolarHBondContact OE1-NZ 3.46Å
775	S	93.5	Very high	87.6	Confident	38 Å²	38	60.7 Å²	60.7	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-38.6	175.5	-52.9	0	0	0	0	112.6	A771 L772 R773 F779	A771-S775 PolarHBondContact O-N 3.02Å; A771-S775 PolarHBondContact O-OG 2.77Å; L772-S775 WeakPolarHBondContact O-CB 3.27Å; L772-S775 PolarHBondContact O-N 3.12Å; R773-S775 VanDerWaalsContact C-N 3.27Å; R773-S775 PolarHBondContact O-N 3.27Å; S775-F779 WeakPolarHBondContact O-CB 3.49Å; S775-F779 PolarHBondContact O-N 3.01Å; S775-F779 VanDerWaalsContact O-N 3.07Å
776	I	93.1	Very high	86.8	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-67.9	-43.7	176.4	-69.9	161.2	0	0	0	110.8	Y596 E599 I600 Q603 L772 R773 E774 F779 N780	Y596-I776 HydrophobicContact CD1-CG1 3.76Å; Y596-I776 HydrophobicContact CG-CG1 4.43Å; E599-I776 HydrophobicContact CB-CD1 3.75Å; E599-I776 HydrophobicContact CB-CG1 4.23Å; I600-I776 HydrophobicContact CB-CG2 3.74Å; I600-I776 HydrophobicContact CD1-CG2 3.97Å; I600-I776 HydrophobicContact CG1-CG2 4.11Å; Q603-I776 HydrophobicContact CG-CD1 4.45Å; L772-I776 HydrophobicContact CD1-CD1 4.35Å; L772-I776 HydrophobicContact CG-CD1 4.03Å; L772-I776 WeakPolarHBondContact O-CD1 3.33Å; L772-I776 VanDerWaalsContact O-CG1 3.3Å; L772-I776 WeakPolarHBondContact O-CG1 3.29Å; L772-I776 PolarHBondContact O-N 3.08Å; R773-I776 WeakPolarHBondContact O-CB 3.21Å; R773-I776 PolarHBondContact O-N 3.07Å; R773-I776 VanDerWaalsContact O-N 3.09Å; E774-I776 PolarHBondContact O-N 3.19Å; I776-F779 PolarHBondContact O-N 3.16Å; I776-N780 WeakPolarHBondContact O-CB 3.25Å; I776-N780 PolarHBondContact O-N 3.35Å
777	E	89.9	Confident	85.7	Confident	97 Å²	97	70.4 Å²	70.4	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-49.3	178	-73.3	163.9	178.5	0	0	110.2	R773 E774 F779 N780 S781	R773-E777 WeakPolarHBondContact CD-OE1 3.3Å; R773-E777 HydrophobicContact CG-CG 4.41Å; R773-E777 VanDerWaalsContact CG-OE1 3.27Å; R773-E777 WeakPolarHBondContact CG-OE1 3.27Å; R773-E777 IonicContact NE-OE1 3.29Å; R773-E777 WeakPolarHBondContact O-CG 3.24Å; R773-E777 PolarHBondContact O-N 3.42Å; E774-E777 PolarHBondContact O-N 3.44Å; E777-F779 PolarHBondContact O-N 3Å; E777-N780 PolarHBondContact O-N 3.36Å; E777-S781 PolarHBondContact O-N 3.08Å
778	K	89.4	Confident	84.3	Confident	94 Å²	94	73.1 Å²	73.1	41%	0.409	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-48.2	175.1	-72.1	175.2	-174.1	172.5	0	113	L491 E774 N780 R782	L491-K778 HydrophobicContact CD1-CB 4.22Å; L491-K778 HydrophobicContact CD1-CD 4.17Å; L491-K778 HydrophobicContact CD2-CB 4.21Å; E774-K778 HydrophobicContact CG-CD 4.45Å; E774-K778 WeakPolarHBondContact O-CG 3.4Å; E774-K778 PolarHBondContact O-N 3.48Å; E774-K778 VanDerWaalsContact OE1-CE 3.27Å; E774-K778 WeakPolarHBondContact OE1-CE 3.41Å; E774-K778 IonicContact OE1-NZ 3.91Å; E774-K778 PolarHBondContact OE1-NZ 3.46Å; K778-N780 PolarHBondContact O-N 3.13Å; K778-R782 VanDerWaalsContact O-CB 3.3Å; K778-R782 WeakPolarHBondContact O-CB 3.23Å; K778-R782 PolarHBondContact O-N 3.04Å
779	F	91.6	Very high	82.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.3	-47	176.5	163.5	-104.4	0	0	0	112.2	E487 H594 Y596 Q597 S775 I776 E777 R783 Y784	E487-F779 HydrophobicContact CG-CB 4.44Å; E487-F779 WeakPolarHBondContact OE2-CD2 3.45Å; H594-F779 HydrophobicContact CB-CZ 4.03Å; H594-F779 AromaticContact CE1-CD2 3.6Å; H594-F779 AromaticContact CE1-CE2 3.29Å; H594-F779 WeakPolarHBondContact CE1-CE2 3.38Å; H594-F779 AromaticContact CE1-CZ 3.88Å; H594-F779 AromaticContact CG-CE2 3.81Å; H594-F779 AromaticContact CG-CZ 3.7Å; H594-F779 AromaticContact ND1-CD2 3.64Å; H594-F779 AromaticContact ND1-CE1 3.78Å; H594-F779 AromaticContact ND1-CE2 3.04Å; H594-F779 WeakPolarHBondContact ND1-CE2 3.42Å; H594-F779 AromaticContact ND1-CZ 3.11Å; H594-F779 WeakPolarHBondContact ND1-CZ 3.37Å; Y596-F779 VanDerWaalsContact CB-CD1 3.42Å; Y596-F779 HydrophobicContact CD2-CB 3.85Å; Y596-F779 HydrophobicContact CD2-CD1 4.42Å; Y596-F779 HydrophobicContact CD2-CD2 4.21Å; Y596-F779 AromaticContact CD2-CG 3.89Å; Y596-F779 HydrophobicContact CD2-CG 3.89Å; Y596-F779 HydrophobicContact CG-CB 4.2Å; Y596-F779 HydrophobicContact CG-CD1 4.31Å; Y596-F779 HydrophobicContact CG-CG 4.21Å; Q597-F779 HydrophobicContact CG-CE1 4.08Å; Q597-F779 HydrophobicContact CG-CZ 4.26Å; S775-F779 WeakPolarHBondContact O-CB 3.49Å; S775-F779 PolarHBondContact O-N 3.01Å; S775-F779 VanDerWaalsContact O-N 3.07Å; I776-F779 PolarHBondContact O-N 3.16Å; E777-F779 PolarHBondContact O-N 3Å; F779-R783 HydrophobicContact CE2-CB 4.46Å; F779-R783 VanDerWaalsContact CE2-CD 3.42Å; F779-R783 VanDerWaalsContact O-CB 3.28Å; F779-R783 WeakPolarHBondContact O-CB 3.17Å; F779-R783 PolarHBondContact O-N 3.27Å; F779-R783 VanDerWaalsContact O-N 3.09Å; F779-Y784 HydrophobicContact CD1-CE2 4.43Å; F779-Y784 AromaticContact CE1-CE2 3.77Å; F779-Y784 HydrophobicContact CE1-CE2 3.77Å; F779-Y784 HydrophobicContact CZ-CE2 4.07Å; F779-Y784 WeakPolarHBondContact CZ-OH 3.38Å
780	N	90.1	Very high	80.8	Confident	21 Å²	21	75.6 Å²	75.6	11%	0.112	39%	0.393	C	S	.	.	H	α-helix	trans	-67.5	-44.7	-177.2	-78.2	-21.1	0	0	0	111.6	Y511 I600 I776 E777 K778 R783 Y784	Y511-N780 PolarHBondContact OH-OD1 2.86Å; I600-N780 WeakPolarHBondContact CD1-ND2 3.43Å; I776-N780 WeakPolarHBondContact O-CB 3.25Å; I776-N780 PolarHBondContact O-N 3.35Å; E777-N780 PolarHBondContact O-N 3.36Å; K778-N780 PolarHBondContact O-N 3.13Å; N780-R783 PolarHBondContact O-N 2.85Å; N780-Y784 HydrophobicContact CB-CD2 4.17Å; N780-Y784 WeakPolarHBondContact O-CD2 3.47Å; N780-Y784 PolarHBondContact O-N 3.42Å; N780-Y784 WeakPolarHBondContact OD1-CE2 3.31Å
781	S	85.9	Confident	78.9	Confident	64 Å²	64	80 Å²	80	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-38.6	177.7	-72.7	0	0	0	0	112.5	E777 R783 D785	E777-S781 PolarHBondContact O-N 3.08Å; S781-R783 VanDerWaalsContact C-N 3.31Å; S781-R783 PolarHBondContact O-N 3.16Å; S781-D785 WeakPolarHBondContact CA-OD2 3.41Å; S781-D785 WeakPolarHBondContact CB-OD2 3.35Å; S781-D785 WeakPolarHBondContact O-CB 3.42Å; S781-D785 PolarHBondContact OG-OD2 3.21Å
782	R	85.9	Confident	77	Confident	80 Å²	80	84 Å²	84	30%	0.302	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-37.8	174.3	-172.8	-172.4	64	73.8	-5.3	112.6	E487 E500 K778	E487-R782 IonicContact OE1-CZ 2.73Å; E487-R782 IonicContact OE1-NE 3.84Å; E487-R782 PolarHBondContact OE1-NE 3.3Å; E487-R782 IonicContact OE1-NH2 2.73Å; E487-R782 IonicContact OE2-CZ 2.73Å; E487-R782 IonicContact OE2-NE 3.54Å; E487-R782 PolarHBondContact OE2-NE 3.47Å; E487-R782 IonicContact OE2-NH2 3.66Å; E487-R782 PolarHBondContact OE2-NH2 2.94Å; E500-R782 IonicContact OE2-CZ 2.92Å; E500-R782 IonicContact OE2-NH1 2.82Å; E500-R782 PolarHBondContact OE2-NH1 3.3Å; E500-R782 IonicContact OE2-NH2 2.61Å; E500-R782 PolarHBondContact OE2-NH2 3.45Å; K778-R782 VanDerWaalsContact O-CB 3.3Å; K778-R782 WeakPolarHBondContact O-CB 3.23Å; K778-R782 PolarHBondContact O-N 3.04Å
783	R	87.4	Confident	74.9	Confident	46 Å²	46	85.6 Å²	85.6	17%	0.174	44%	0.438	C	S	.	.	H	α-helix	trans	-100.5	-30.3	-167.3	-170.2	174.1	174.2	115	-10.4	115.2	E500 V502 E508 F779 N780 S781	E500-R783 IonicContact OE1-NH1 3.35Å; E500-R783 PolarHBondContact OE1-NH1 3.42Å; E500-R783 IonicContact OE2-NH1 2.89Å; E500-R783 PolarHBondContact OE2-NH1 2.58Å; V502-R783 VanDerWaalsContact CG1-NH2 3.27Å; V502-R783 HydrophobicContact CG2-CG 4.44Å; E508-R783 VanDerWaalsContact CD-NH2 3.33Å; E508-R783 IonicContact OE1-CZ 2.67Å; E508-R783 VanDerWaalsContact OE1-CZ 3.27Å; E508-R783 IonicContact OE1-NE 2.72Å; E508-R783 PolarHBondContact OE1-NE 3.41Å; E508-R783 IonicContact OE1-NH2 3.31Å; E508-R783 PolarHBondContact OE1-NH2 3.44Å; E508-R783 IonicContact OE2-NH2 3.71Å; E508-R783 PolarHBondContact OE2-NH2 2.73Å; F779-R783 HydrophobicContact CE2-CB 4.46Å; F779-R783 VanDerWaalsContact CE2-CD 3.42Å; F779-R783 VanDerWaalsContact O-CB 3.28Å; F779-R783 WeakPolarHBondContact O-CB 3.17Å; F779-R783 PolarHBondContact O-N 3.27Å; F779-R783 VanDerWaalsContact O-N 3.09Å; N780-R783 PolarHBondContact O-N 2.85Å; S781-R783 VanDerWaalsContact C-N 3.31Å; S781-R783 PolarHBondContact O-N 3.16Å
784	Y	88.1	Confident	73.2	Confident	38 Å²	38	85.9 Å²	85.9	15%	0.149	46%	0.455	C	S	.	.	H	α-helix	trans	-125.1	-15.8	-171.2	-45.6	-71.3	0	0	0	115.2	Y511 V512 L515 Q597 F779 N780 K786	Y511-Y784 HydrophobicContact CD1-CE1 4.25Å; Y511-Y784 HydrophobicContact CD1-CE2 4.38Å; Y511-Y784 AromaticContact CD1-CZ 3.86Å; Y511-Y784 HydrophobicContact CE1-CD2 4.31Å; Y511-Y784 HydrophobicContact CE1-CE1 4.21Å; Y511-Y784 AromaticContact CE1-CE2 3.57Å; Y511-Y784 HydrophobicContact CE1-CE2 3.57Å; Y511-Y784 AromaticContact CE1-CZ 3.49Å; Y511-Y784 VanDerWaalsContact CE1-CZ 3.49Å; Y511-Y784 WeakPolarHBondContact CE1-OH 3.43Å; V512-Y784 HydrophobicContact CG2-CD1 3.76Å; V512-Y784 HydrophobicContact CG2-CE1 3.64Å; L515-Y784 HydrophobicContact CD2-CD2 3.75Å; L515-Y784 HydrophobicContact CD2-CE2 4.45Å; L515-Y784 HydrophobicContact CD2-CG 3.92Å; Q597-Y784 PolarHBondContact NE2-OH 3.04Å; F779-Y784 HydrophobicContact CD1-CE2 4.43Å; F779-Y784 AromaticContact CE1-CE2 3.77Å; F779-Y784 HydrophobicContact CE1-CE2 3.77Å; F779-Y784 HydrophobicContact CZ-CE2 4.07Å; F779-Y784 WeakPolarHBondContact CZ-OH 3.38Å; N780-Y784 HydrophobicContact CB-CD2 4.17Å; N780-Y784 WeakPolarHBondContact O-CD2 3.47Å; N780-Y784 PolarHBondContact O-N 3.42Å; N780-Y784 WeakPolarHBondContact OD1-CE2 3.31Å; Y784-K786 PolarHBondContact O-N 3.43Å
785	D	82.3	Confident	71.5	Confident	95 Å²	95	86.5 Å²	86.5	51%	0.508	47%	0.466	S	S	.	.			trans	-70.7	127.1	177.8	-79.1	-27.4	0	0	0	110.6	S781 N787	S781-D785 WeakPolarHBondContact CA-OD2 3.41Å; S781-D785 WeakPolarHBondContact CB-OD2 3.35Å; S781-D785 WeakPolarHBondContact O-CB 3.42Å; S781-D785 PolarHBondContact OG-OD2 3.21Å; D785-N787 PolarHBondContact O-N 3.08Å
786	K	61.7	Low	69.8	Low	204 Å²	204	88.2 Å²	88.2	89%	0.887	47%	0.472	S	S	*	.	S	Bend	trans	-72.6	-15.9	-177.8	-64.2	-176.2	179.5	-178.6	0	113.4	Y784 K788	Y784-K786 PolarHBondContact O-N 3.43Å; K786-K788 PolarHBondContact O-N 2.8Å
787	N	54.7	Low	68.5	Low	157 Å²	157	94.9 Å²	94.9	84%	0.84	51%	0.508	S	S	*	.			trans	-78.2	69.7	173.6	-81.4	0.9	0	0	0	110.5	D785 N789	D785-N787 PolarHBondContact O-N 3.08Å; N787-N789 PolarHBondContact O-N 2.75Å; N787-N789 VanDerWaalsContact O-N 3.1Å
788	K	54.5	Low	67.9	Low	134 Å²	134	93.4 Å²	93.4	58%	0.583	51%	0.507	S	S	*	.			trans	-60.6	112.7	165.9	-71.5	-177.9	173.6	-172.1	0	109.2	E499 K786 G790	E499-K788 WeakPolarHBondContact OE1-CD 3.37Å; E499-K788 WeakPolarHBondContact OE1-CE 3.28Å; E499-K788 IonicContact OE1-NZ 3.5Å; E499-K788 PolarHBondContact OE1-NZ 3.37Å; E499-K788 IonicContact OE2-NZ 2.72Å; E499-K788 PolarHBondContact OE2-NZ 3.26Å; K786-K788 PolarHBondContact O-N 2.8Å; K788-G790 PolarHBondContact O-N 2.91Å
789	N	50.3	Low	67	Low	86 Å²	86	95.1 Å²	95.1	46%	0.46	52%	0.52	S	S	.	.			trans	52.3	56.5	148.4	-62.7	-9.7	0	0	0	116.4	N787 D791 F792 A793	N787-N789 PolarHBondContact O-N 2.75Å; N787-N789 VanDerWaalsContact O-N 3.1Å; N789-D791 PolarHBondContact O-N 3.43Å; N789-F792 HydrophobicContact CB-CB 3.87Å; N789-F792 PolarHBondContact O-N 2.83Å; N789-A793 WeakPolarHBondContact O-CB 3.39Å; N789-A793 PolarHBondContact O-N 3.48Å
790	G	47.6	Very low	66.1	Low	77 Å²	77	102.8 Å²	102.8	79%	0.794	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-41.9	162.3	0	0	0	0	0	111.6	K788	K788-G790 PolarHBondContact O-N 2.91Å
791	D	47.3	Very low	65.3	Low	149 Å²	149	104 Å²	104	80%	0.797	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-9.2	-177.6	-51	-40.3	0	0	0	114.1	N789	N789-D791 PolarHBondContact O-N 3.43Å
792	F	50.5	Low	64.6	Low	136 Å²	136	104.4 Å²	104.4	60%	0.596	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	11	-171.4	-53.6	-71.9	0	0	0	114.4	N789	N789-F792 HydrophobicContact CB-CB 3.87Å; N789-F792 PolarHBondContact O-N 2.83Å
793	A	48.3	Very low	63.8	Low	57 Å²	57	107.2 Å²	107.2	47%	0.471	59%	0.586	S	S	.	*	S	Bend	trans	-70.3	148.5	163.8	0	0	0	0	0	109.6	N789 V795	N789-A793 WeakPolarHBondContact O-CB 3.39Å; N789-A793 PolarHBondContact O-N 3.48Å; A793-V795 PolarHBondContact O-N 3.12Å
794	P	53.3	Low	63	Low	130 Å²	130	107.9 Å²	107.9	84%	0.844	61%	0.607	S	S	*	*			trans	-61.7	109	170.9	25.6	-32.8	0	0	0	109.3
795	V	55.8	Low	62.1	Low	110 Å²	110	112 Å²	112	67%	0.667	63%	0.628	S	S	*	*			trans	-59.8	139.5	175.9	-81.4	0	0	0	0	110.9	A793 N797	A793-V795 PolarHBondContact O-N 3.12Å; V795-N797 PolarHBondContact O-N 2.81Å; V795-N797 PolarHBondContact O-ND2 3.01Å
796	D	58.7	Low	61.2	Low	73 Å²	73	119.2 Å²	119.2	39%	0.39	65%	0.648	S	S	.	*			trans	-67.9	104.2	174.1	-173.9	-4.6	0	0	0	109.5	C798 S801 V802	D796-C798 PolarHBondContact O-N 2.86Å; D796-C798 WeakPolarHBondContact OD1-CB 3.27Å; D796-C798 PolarHBondContact OD1-N 3.17Å; D796-S801 WeakPolarHBondContact OD2-CB 3.41Å; D796-S801 PolarHBondContact OD2-OG 3.24Å; D796-V802 HydrophobicContact CB-CG2 4.29Å; D796-V802 WeakPolarHBondContact O-CG2 3.36Å
797	N	66.3	Low	61.6	Low	145 Å²	145	114.5 Å²	114.5	78%	0.775	64%	0.636	S	S	*	*			trans	-83.6	2.9	179.7	-64.6	-55.2	0	0	0	112.8	V795 L799	V795-N797 PolarHBondContact O-N 2.81Å; V795-N797 PolarHBondContact O-ND2 3.01Å; N797-L799 PolarHBondContact O-N 3.47Å
798	C	76.8	Confident	62.2	Low	65 Å²	65	116.1 Å²	116.1	44%	0.439	64%	0.638	S	S	.	*			trans	-81.1	102.9	177.4	-175.2	0	0	0	0	110.6	D796 Q800 S801 V802	D796-C798 PolarHBondContact O-N 2.86Å; D796-C798 WeakPolarHBondContact OD1-CB 3.27Å; D796-C798 PolarHBondContact OD1-N 3.17Å; C798-Q800 PolarHBondContact O-N 2.77Å; C798-S801 WeakPolarHBondContact O-CA 3.3Å; C798-S801 WeakPolarHBondContact O-CB 3.28Å; C798-S801 PolarHBondContact O-N 3.45Å; C798-V802 PolarHBondContact O-N 2.71Å
799	L	69.6	Low	63.2	Low	130 Å²	130	114.1 Å²	114.1	68%	0.681	63%	0.634	S	S	*	*	H	α-helix	trans	-49.4	-37.3	178.8	-138.1	98.5	0	0	0	113	N797 L803	N797-L799 PolarHBondContact O-N 3.47Å; L799-L803 HydrophobicContact CD2-CD1 3.88Å; L799-L803 HydrophobicContact CG-CD1 4.17Å; L799-L803 VanDerWaalsContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CB 3.18Å; L799-L803 WeakPolarHBondContact O-CG 3.21Å; L799-L803 PolarHBondContact O-N 2.98Å
800	Q	72.9	Confident	64.5	Low	162 Å²	162	114.2 Å²	114.2	76%	0.757	64%	0.639	S	S	*	*	H	α-helix	trans	-70.9	-30.2	-179.6	-146.5	75.4	17	0	0	113.2	C798 G804	C798-Q800 PolarHBondContact O-N 2.77Å; Q800-G804 PolarHBondContact O-N 3.47Å
801	S	74.2	Confident	65.9	Low	46 Å²	46	118.8 Å²	118.8	32%	0.322	64%	0.64	S	S	.	*	H	α-helix	trans	-79.3	-49.2	177.2	-175.8	0	0	0	0	110.3	D796 C798 L803 G804 Q805	D796-S801 WeakPolarHBondContact OD2-CB 3.41Å; D796-S801 PolarHBondContact OD2-OG 3.24Å; C798-S801 WeakPolarHBondContact O-CA 3.3Å; C798-S801 WeakPolarHBondContact O-CB 3.28Å; C798-S801 PolarHBondContact O-N 3.45Å; S801-L803 PolarHBondContact O-N 2.82Å; S801-G804 CarbonylContact O-C 3.01Å; S801-G804 WeakPolarHBondContact O-CA 3.35Å; S801-G804 PolarHBondContact O-N 3.09Å; S801-Q805 PolarHBondContact O-N 3.27Å; S801-Q805 VanDerWaalsContact O-N 3.12Å
802	V	69.7	Low	67.5	Low	73 Å²	73	117.3 Å²	117.3	44%	0.442	63%	0.632	S	S	.	*	H	α-helix	trans	-59.3	-47.2	177.8	178	0	0	0	0	111.7	D796 C798 G804 Q805	D796-V802 HydrophobicContact CB-CG2 4.29Å; D796-V802 WeakPolarHBondContact O-CG2 3.36Å; C798-V802 PolarHBondContact O-N 2.71Å; V802-G804 PolarHBondContact O-N 3.4Å; V802-Q805 PolarHBondContact O-N 3.31Å
803	L	69.9	Low	68.9	Low	138 Å²	138	112.8 Å²	112.8	72%	0.723	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-12.4	175.8	-64.1	173.3	0	0	0	113.4	L799 S801	L799-L803 HydrophobicContact CD2-CD1 3.88Å; L799-L803 HydrophobicContact CG-CD1 4.17Å; L799-L803 VanDerWaalsContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CB 3.18Å; L799-L803 WeakPolarHBondContact O-CG 3.21Å; L799-L803 PolarHBondContact O-N 2.98Å; S801-L803 PolarHBondContact O-N 2.82Å
804	G	70.5	Confident	70.2	Confident	61 Å²	61	117.1 Å²	117.1	63%	0.629	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-18.7	174.2	0	0	0	0	0	113.8	Q800 S801 V802	Q800-G804 PolarHBondContact O-N 3.47Å; S801-G804 CarbonylContact O-C 3.01Å; S801-G804 WeakPolarHBondContact O-CA 3.35Å; S801-G804 PolarHBondContact O-N 3.09Å; V802-G804 PolarHBondContact O-N 3.4Å
805	Q	69.6	Low	71.5	Confident	123 Å²	123	120.7 Å²	120.7	58%	0.575	62%	0.62	S	S	*	*	S	Bend	trans	-76.1	125	176.8	-70.3	-174.2	6.8	0	0	111.1	S801 V802 V807	S801-Q805 PolarHBondContact O-N 3.27Å; S801-Q805 VanDerWaalsContact O-N 3.12Å; V802-Q805 PolarHBondContact O-N 3.31Å; Q805-V807 PolarHBondContact O-N 3.1Å
806	R	64.1	Low	72.7	Confident	247 Å²	247	117.8 Å²	117.8	93%	0.932	61%	0.605	S	S	*	*			trans	-78.4	104.5	164	-85.2	-172.8	169.7	-163.9	-3.1	109.1
807	V	68.2	Low	73.9	Confident	106 Å²	106	119.8 Å²	119.8	64%	0.642	61%	0.608	S	S	*	*			trans	-84.8	118.3	165.9	-177.1	0	0	0	0	108.2	Q805 L809	Q805-V807 PolarHBondContact O-N 3.1Å; V807-L809 HydrophobicContact CG1-CD2 4.03Å; V807-L809 HydrophobicContact CG1-CG 4.33Å; V807-L809 PolarHBondContact O-N 3.22Å
808	E	67.5	Low	74.7	Confident	190 Å²	190	120.7 Å²	120.7	89%	0.888	61%	0.607	S	S	*	*			trans	-78.6	107.8	170.9	-68.9	-173	165.3	0	0	109
809	L	76	Confident	74.9	Confident	93 Å²	93	124.5 Å²	124.5	49%	0.487	62%	0.62	S	S	.	*			trans	-90.4	144	175.6	-64	167.8	0	0	0	109.3	V807 F813	V807-L809 HydrophobicContact CG1-CD2 4.03Å; V807-L809 HydrophobicContact CG1-CG 4.33Å; V807-L809 PolarHBondContact O-N 3.22Å; L809-F813 HydrophobicContact CB-CB 4.32Å; L809-F813 HydrophobicContact CB-CD1 4.25Å; L809-F813 HydrophobicContact CD1-CD1 3.86Å; L809-F813 HydrophobicContact CD1-CE1 4.11Å; L809-F813 HydrophobicContact CD2-CD1 4.06Å; L809-F813 HydrophobicContact CD2-CE1 4.15Å; L809-F813 HydrophobicContact CG-CD1 4.28Å
810	P	78.6	Confident	75.6	Confident	88 Å²	88	123.6 Å²	123.6	57%	0.571	61%	0.608	S	S	*	*			trans	-54.8	142.4	171.6	-23.9	33.5	0	0	0	111.2	D812 F813	P810-D812 PolarHBondContact O-N 3.19Å; P810-D812 VanDerWaalsContact O-N 3.1Å; P810-F813 WeakPolarHBondContact O-CB 3.47Å; P810-F813 PolarHBondContact O-N 2.97Å
811	E	76.9	Confident	76	Confident	173 Å²	173	117.5 Å²	117.5	81%	0.808	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-34.8	-178.3	-62.6	-171.5	155.3	0	0	112.2	F813	E811-F813 VanDerWaalsContact C-N 3.28Å; E811-F813 PolarHBondContact O-N 3.44Å
812	D	79.6	Confident	76.4	Confident	118 Å²	118	121.7 Å²	121.7	63%	0.631	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-12.1	178.6	-61.2	-33.2	0	0	0	114.5	P810 H814 Y815 S816	P810-D812 PolarHBondContact O-N 3.19Å; P810-D812 VanDerWaalsContact O-N 3.1Å; D812-H814 PolarHBondContact O-N 3.46Å; D812-Y815 PolarHBondContact O-N 3.47Å; D812-Y815 VanDerWaalsContact O-N 3.12Å; D812-S816 PolarHBondContact O-N 3.05Å; D812-S816 PolarHBondContact O-OG 2.88Å; D812-S816 VanDerWaalsContact O-OG 3.07Å
813	F	80.7	Confident	76.9	Confident	40 Å²	40	126.3 Å²	126.3	18%	0.175	60%	0.604	C	S	.	*	H	α-helix	trans	-64	-31.8	-178	-171.1	-106.1	0	0	0	111.8	L809 P810 E811 Y815 S816 Y817 W820	L809-F813 HydrophobicContact CB-CB 4.32Å; L809-F813 HydrophobicContact CB-CD1 4.25Å; L809-F813 HydrophobicContact CD1-CD1 3.86Å; L809-F813 HydrophobicContact CD1-CE1 4.11Å; L809-F813 HydrophobicContact CD2-CD1 4.06Å; L809-F813 HydrophobicContact CD2-CE1 4.15Å; L809-F813 HydrophobicContact CG-CD1 4.28Å; P810-F813 WeakPolarHBondContact O-CB 3.47Å; P810-F813 PolarHBondContact O-N 2.97Å; E811-F813 VanDerWaalsContact C-N 3.28Å; E811-F813 PolarHBondContact O-N 3.44Å; F813-Y815 PolarHBondContact O-N 3.31Å; F813-S816 WeakPolarHBondContact CA-OG 3.4Å; F813-S816 CarbonylContact O-C 3.42Å; F813-S816 PolarHBondContact O-N 3.1Å; F813-S816 VanDerWaalsContact O-N 3.12Å; F813-S816 PolarHBondContact O-OG 2.9Å; F813-Y817 HydrophobicContact CD1-CD2 4.47Å; F813-Y817 AromaticContact CE1-CD2 3.66Å; F813-Y817 HydrophobicContact CE1-CD2 3.66Å; F813-Y817 HydrophobicContact CE1-CE2 4.35Å; F813-Y817 HydrophobicContact CZ-CD2 4.02Å; F813-Y817 WeakPolarHBondContact O-CB 3.21Å; F813-Y817 PolarHBondContact O-N 3.25Å; F813-W820 HydrophobicContact CE2-CB 4.16Å; F813-W820 HydrophobicContact CE2-CD2 4.18Å; F813-W820 AromaticContact CE2-CG 3.86Å; F813-W820 HydrophobicContact CE2-CG 3.86Å; F813-W820 HydrophobicContact CZ-CB 4.46Å; F813-W820 AromaticContact CZ-CD2 3.92Å; F813-W820 HydrophobicContact CZ-CD2 3.92Å; F813-W820 HydrophobicContact CZ-CE3 4.08Å; F813-W820 HydrophobicContact CZ-CG 4.07Å
814	H	75.7	Confident	77.1	Confident	148 Å²	148	122.6 Å²	122.6	69%	0.685	58%	0.583	S	S	*	*	H	α-helix	trans	-59.2	-32	175.1	-68.7	-63.1	0	0	0	113.4	D812	D812-H814 PolarHBondContact O-N 3.46Å
815	Y	79.4	Confident	77.2	Confident	205 Å²	205	123 Å²	123	80%	0.804	57%	0.573	S	S	*	*	H	α-helix	trans	-86.6	-16.1	178.8	-56.1	-72.6	0	0	0	113.4	D812 F813	D812-Y815 PolarHBondContact O-N 3.47Å; D812-Y815 VanDerWaalsContact O-N 3.12Å; F813-Y815 PolarHBondContact O-N 3.31Å
816	S	82.3	Confident	77.6	Confident	49 Å²	49	124.3 Å²	124.3	34%	0.343	58%	0.577	S	S	.	*	H	α-helix	trans	-110.6	0	-178.6	47.8	0	0	0	0	113.7	D812 F813 E818 M819 W820	D812-S816 PolarHBondContact O-N 3.05Å; D812-S816 PolarHBondContact O-OG 2.88Å; D812-S816 VanDerWaalsContact O-OG 3.07Å; F813-S816 WeakPolarHBondContact CA-OG 3.4Å; F813-S816 CarbonylContact O-C 3.42Å; F813-S816 PolarHBondContact O-N 3.1Å; F813-S816 VanDerWaalsContact O-N 3.12Å; F813-S816 PolarHBondContact O-OG 2.9Å; S816-E818 PolarHBondContact O-N 2.83Å; S816-M819 PolarHBondContact O-N 2.99Å; S816-W820 WeakPolarHBondContact O-CB 3.12Å; S816-W820 PolarHBondContact O-N 3.25Å
817	Y	83.3	Confident	78.2	Confident	116 Å²	116	116.4 Å²	116.4	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-57.7	-44.7	-176.2	-179.7	-111.9	0	0	0	114.2	F813 W820 L821	F813-Y817 HydrophobicContact CD1-CD2 4.47Å; F813-Y817 AromaticContact CE1-CD2 3.66Å; F813-Y817 HydrophobicContact CE1-CD2 3.66Å; F813-Y817 HydrophobicContact CE1-CE2 4.35Å; F813-Y817 HydrophobicContact CZ-CD2 4.02Å; F813-Y817 WeakPolarHBondContact O-CB 3.21Å; F813-Y817 PolarHBondContact O-N 3.25Å; Y817-W820 HydrophobicContact CD2-CE3 4.46Å; Y817-W820 HydrophobicContact CE2-CE3 4.4Å; Y817-W820 PolarHBondContact O-N 2.94Å; Y817-L821 HydrophobicContact CD1-CD1 4.04Å; Y817-L821 HydrophobicContact CE1-CD1 3.42Å; Y817-L821 VanDerWaalsContact CE1-CD1 3.42Å; Y817-L821 HydrophobicContact CE1-CG 4.16Å; Y817-L821 HydrophobicContact CE2-CD1 4.28Å; Y817-L821 HydrophobicContact CE2-CG 4.14Å; Y817-L821 PolarHBondContact O-N 3.39Å
818	E	82.8	Confident	78	Confident	163 Å²	163	116.6 Å²	116.6	76%	0.762	55%	0.554	S	S	*	*	H	α-helix	trans	-64.6	-43.9	177.5	-71.4	-170.9	150.1	0	0	111.6	S816 W820 L821 E822	S816-E818 PolarHBondContact O-N 2.83Å; E818-W820 VanDerWaalsContact C-N 3.3Å; E818-W820 PolarHBondContact O-N 3.48Å; E818-L821 PolarHBondContact O-N 2.9Å; E818-E822 WeakPolarHBondContact O-CB 3.39Å; E818-E822 PolarHBondContact O-N 3.42Å
819	M	81.9	Confident	77.6	Confident	145 Å²	145	112.8 Å²	112.8	71%	0.714	55%	0.546	S	S	*	.	H	α-helix	trans	-63.3	-35.7	174.9	-73.4	-179.9	60.3	0	0	112.4	S816 R823	S816-M819 PolarHBondContact O-N 2.99Å; M819-R823 WeakPolarHBondContact O-CB 3.5Å; M819-R823 PolarHBondContact O-N 2.88Å
820	W	84.9	Confident	76.8	Confident	112 Å²	112	113.2 Å²	113.2	42%	0.424	55%	0.548	S	S	.	.	H	α-helix	trans	-68.9	-44.3	175.9	178.7	85.7	0	0	0	111.7	F813 S816 Y817 E818 R823 E824 V825	F813-W820 HydrophobicContact CE2-CB 4.16Å; F813-W820 HydrophobicContact CE2-CD2 4.18Å; F813-W820 AromaticContact CE2-CG 3.86Å; F813-W820 HydrophobicContact CE2-CG 3.86Å; F813-W820 HydrophobicContact CZ-CB 4.46Å; F813-W820 AromaticContact CZ-CD2 3.92Å; F813-W820 HydrophobicContact CZ-CD2 3.92Å; F813-W820 HydrophobicContact CZ-CE3 4.08Å; F813-W820 HydrophobicContact CZ-CG 4.07Å; S816-W820 WeakPolarHBondContact O-CB 3.12Å; S816-W820 PolarHBondContact O-N 3.25Å; Y817-W820 HydrophobicContact CD2-CE3 4.46Å; Y817-W820 HydrophobicContact CE2-CE3 4.4Å; Y817-W820 PolarHBondContact O-N 2.94Å; E818-W820 VanDerWaalsContact C-N 3.3Å; E818-W820 PolarHBondContact O-N 3.48Å; W820-R823 PolarHBondContact O-N 2.83Å; W820-E824 HydrophobicContact CG-CG 4.45Å; W820-E824 HydrophobicContact CZ2-CB 4.43Å; W820-E824 WeakPolarHBondContact O-CB 3.47Å; W820-E824 PolarHBondContact O-N 2.83Å; W820-V825 HydrophobicContact CE3-CG2 4.47Å; W820-V825 HydrophobicContact CH2-CG2 3.84Å; W820-V825 HydrophobicContact CZ3-CG2 3.79Å
821	L	80	Confident	75.7	Confident	34 Å²	34	116.7 Å²	116.7	18%	0.178	56%	0.556	C	S	.	*	I	π-helix	trans	-58.7	-49.4	173	-83.5	176.3	0	0	0	111.5	Y817 E818 R823 V825 F826	Y817-L821 HydrophobicContact CD1-CD1 4.04Å; Y817-L821 HydrophobicContact CE1-CD1 3.42Å; Y817-L821 VanDerWaalsContact CE1-CD1 3.42Å; Y817-L821 HydrophobicContact CE1-CG 4.16Å; Y817-L821 HydrophobicContact CE2-CD1 4.28Å; Y817-L821 HydrophobicContact CE2-CG 4.14Å; Y817-L821 PolarHBondContact O-N 3.39Å; E818-L821 PolarHBondContact O-N 2.9Å; L821-R823 VanDerWaalsContact C-N 3.31Å; L821-R823 PolarHBondContact O-N 3.21Å; L821-V825 HydrophobicContact CD2-CB 4.18Å; L821-V825 HydrophobicContact CD2-CG2 3.98Å; L821-V825 CarbonylContact O-C 3.56Å; L821-V825 WeakPolarHBondContact O-CA 3.31Å; L821-V825 WeakPolarHBondContact O-CB 3.31Å; L821-V825 PolarHBondContact O-N 2.97Å; L821-F826 HydrophobicContact CB-CD2 4.3Å; L821-F826 HydrophobicContact CB-CE2 3.93Å; L821-F826 PolarHBondContact O-N 2.91Å
822	E	83.3	Confident	74.8	Confident	133 Å²	133	116.5 Å²	116.5	62%	0.621	55%	0.548	S	S	*	.	I	π-helix	trans	-63.1	-40.5	-177.4	-159.6	165.7	-139.4	0	0	111.2	E818 S827	E818-E822 WeakPolarHBondContact O-CB 3.39Å; E818-E822 PolarHBondContact O-N 3.42Å; E822-S827 WeakPolarHBondContact O-CB 3.44Å; E822-S827 PolarHBondContact O-N 3.47Å; E822-S827 PolarHBondContact O-OG 3.06Å
823	R	78.8	Confident	73.4	Confident	171 Å²	171	118.2 Å²	118.2	65%	0.645	55%	0.553	S	S	*	*	I	π-helix	trans	-77.6	-53.4	-179.9	-173.8	176.8	137.8	159.5	-2	113.9	M819 W820 L821 S827	M819-R823 WeakPolarHBondContact O-CB 3.5Å; M819-R823 PolarHBondContact O-N 2.88Å; W820-R823 PolarHBondContact O-N 2.83Å; L821-R823 VanDerWaalsContact C-N 3.31Å; L821-R823 PolarHBondContact O-N 3.21Å; R823-S827 WeakPolarHBondContact CA-OG 3.28Å; R823-S827 PolarHBondContact O-OG 2.95Å
824	E	74.4	Confident	72.1	Confident	60 Å²	60	118.7 Å²	118.7	28%	0.28	57%	0.568	S	S	.	*	I	π-helix	trans	-95.6	-19.2	-168.1	-55.7	-59.7	163.3	0	0	113.8	W820 Q828	W820-E824 HydrophobicContact CG-CG 4.45Å; W820-E824 HydrophobicContact CZ2-CB 4.43Å; W820-E824 WeakPolarHBondContact O-CB 3.47Å; W820-E824 PolarHBondContact O-N 2.83Å; E824-Q828 PolarHBondContact OE2-NE2 3.45Å
825	V	73.8	Confident	70.8	Confident	69 Å²	69	117.7 Å²	117.7	42%	0.418	57%	0.568	S	S	.	*	I	π-helix	trans	-111.6	-43.8	-178.8	-176.4	0	0	0	0	112.9	W820 L821	W820-V825 HydrophobicContact CE3-CG2 4.47Å; W820-V825 HydrophobicContact CH2-CG2 3.84Å; W820-V825 HydrophobicContact CZ3-CG2 3.79Å; L821-V825 HydrophobicContact CD2-CB 4.18Å; L821-V825 HydrophobicContact CD2-CG2 3.98Å; L821-V825 CarbonylContact O-C 3.56Å; L821-V825 WeakPolarHBondContact O-CA 3.31Å; L821-V825 WeakPolarHBondContact O-CB 3.31Å; L821-V825 PolarHBondContact O-N 2.97Å
826	F	78.3	Confident	69.4	Low	150 Å²	150	114.7 Å²	114.7	66%	0.658	57%	0.565	S	S	*	*	I	π-helix	trans	-93.4	-34.8	-175.3	-58.5	-42.1	0	0	0	114.2	L821	L821-F826 HydrophobicContact CB-CD2 4.3Å; L821-F826 HydrophobicContact CB-CE2 3.93Å; L821-F826 PolarHBondContact O-N 2.91Å
827	S	75.9	Confident	67.6	Low	82 Å²	82	119.6 Å²	119.6	57%	0.573	58%	0.582	S	S	*	*	S	Bend	trans	-95.1	-9.2	-178.7	79	0	0	0	0	115	E822 R823 P829	E822-S827 WeakPolarHBondContact O-CB 3.44Å; E822-S827 PolarHBondContact O-N 3.47Å; E822-S827 PolarHBondContact O-OG 3.06Å; R823-S827 WeakPolarHBondContact CA-OG 3.28Å; R823-S827 PolarHBondContact O-OG 2.95Å; S827-P829 VanDerWaalsContact O-CD 3.32Å; S827-P829 WeakPolarHBondContact O-CD 3.38Å
828	Q	63.2	Low	65.6	Low	109 Å²	109	120.6 Å²	120.6	51%	0.509	60%	0.595	S	S	.	*	S	Bend	trans	-77.6	116	166.4	-73	-142.6	27.8	0	0	110.2	E824 I830	E824-Q828 PolarHBondContact OE2-NE2 3.45Å; Q828-I830 PolarHBondContact O-N 3.27Å
829	P	59.5	Low	63.6	Low	111 Å²	111	122.1 Å²	122.1	72%	0.721	62%	0.619	S	S	*	*			trans	-73.3	111.1	176.6	29.5	-32.8	0	0	0	110	S827 Q831	S827-P829 VanDerWaalsContact O-CD 3.32Å; S827-P829 WeakPolarHBondContact O-CD 3.38Å; P829-Q831 PolarHBondContact O-N 3.26Å; P829-Q831 VanDerWaalsContact O-N 3.09Å
830	I	59.8	Low	62.7	Low	102 Å²	102	121 Å²	121	52%	0.523	62%	0.615	S	S	.	*			trans	-58.6	116	172.4	-58.5	171.2	0	0	0	108.5	Q828 W832	Q828-I830 PolarHBondContact O-N 3.27Å; I830-W832 HydrophobicContact CB-CD2 4.49Å; I830-W832 HydrophobicContact CB-CZ2 4.18Å; I830-W832 HydrophobicContact CD1-CH2 4.47Å; I830-W832 HydrophobicContact CD1-CZ2 3.81Å; I830-W832 HydrophobicContact CG2-CD2 3.77Å; I830-W832 HydrophobicContact CG2-CE3 4.2Å; I830-W832 HydrophobicContact CG2-CG 4.2Å; I830-W832 HydrophobicContact CG2-CH2 4.22Å; I830-W832 HydrophobicContact CG2-CZ2 3.79Å; I830-W832 HydrophobicContact CG2-CZ3 4.41Å; I830-W832 PolarHBondContact O-N 3.43Å
831	Q	56	Low	61.5	Low	161 Å²	161	121.5 Å²	121.5	75%	0.752	63%	0.625	S	S	*	*			trans	-78	71	179.6	-69.2	-171.6	-9.7	0	0	111.2	P829 E833 G834	P829-Q831 PolarHBondContact O-N 3.26Å; P829-Q831 VanDerWaalsContact O-N 3.09Å; Q831-E833 PolarHBondContact O-N 2.89Å; Q831-E833 VanDerWaalsContact O-N 3.1Å; Q831-G834 PolarHBondContact O-N 3.43Å
832	W	56.4	Low	60.5	Low	168 Å²	168	126.3 Å²	126.3	64%	0.636	65%	0.65	S	S	*	*	H	α-helix	trans	-53.2	-30.6	178.1	-61.8	104.7	0	0	0	113.5	I830 G834 L835 L836	I830-W832 HydrophobicContact CB-CD2 4.49Å; I830-W832 HydrophobicContact CB-CZ2 4.18Å; I830-W832 HydrophobicContact CD1-CH2 4.47Å; I830-W832 HydrophobicContact CD1-CZ2 3.81Å; I830-W832 HydrophobicContact CG2-CD2 3.77Å; I830-W832 HydrophobicContact CG2-CE3 4.2Å; I830-W832 HydrophobicContact CG2-CG 4.2Å; I830-W832 HydrophobicContact CG2-CH2 4.22Å; I830-W832 HydrophobicContact CG2-CZ2 3.79Å; I830-W832 HydrophobicContact CG2-CZ3 4.41Å; I830-W832 PolarHBondContact O-N 3.43Å; W832-G834 VanDerWaalsContact C-N 3.34Å; W832-G834 PolarHBondContact O-N 3.23Å; W832-L835 HydrophobicContact CE3-CD1 4.41Å; W832-L835 PolarHBondContact O-N 3.28Å; W832-L836 WeakPolarHBondContact O-CG 3.37Å; W832-L836 PolarHBondContact O-N 3.2Å
833	E	51.6	Low	59.1	Low	155 Å²	155	125.9 Å²	125.9	72%	0.724	65%	0.651	S	S	*	*	H	α-helix	trans	-66.6	-32.2	176.8	-62.8	-175.1	167.6	0	0	113	Q831 L836 Q837	Q831-E833 PolarHBondContact O-N 2.89Å; Q831-E833 VanDerWaalsContact O-N 3.1Å; E833-L836 PolarHBondContact O-N 3.47Å; E833-Q837 WeakPolarHBondContact O-CG 3.48Å; E833-Q837 PolarHBondContact O-N 3.16Å
834	G	52.7	Low	57.9	Low	49 Å²	49	123.1 Å²	123.1	51%	0.505	65%	0.652	S	S	.	*	H	α-helix	trans	-70.8	-32.2	176.2	0	0	0	0	0	113	Q831 W832 L836	Q831-G834 PolarHBondContact O-N 3.43Å; W832-G834 VanDerWaalsContact C-N 3.34Å; W832-G834 PolarHBondContact O-N 3.23Å; G834-L836 PolarHBondContact O-N 3.3Å
835	L	49.3	Very low	56.8	Low	128 Å²	128	127.3 Å²	127.3	67%	0.67	68%	0.676	S	S	*	*	H	α-helix	trans	-70.5	-17.3	173.6	-91.1	158.5	0	0	0	113.6	W832	W832-L835 HydrophobicContact CE3-CD1 4.41Å; W832-L835 PolarHBondContact O-N 3.28Å
836	L	49.3	Very low	55.6	Low	142 Å²	142	131.5 Å²	131.5	74%	0.743	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	0.3	-176.5	-67.5	170.4	0	0	0	113.6	W832 E833 G834	W832-L836 WeakPolarHBondContact O-CG 3.37Å; W832-L836 PolarHBondContact O-N 3.2Å; E833-L836 PolarHBondContact O-N 3.47Å; G834-L836 PolarHBondContact O-N 3.3Å
837	Q	44.4	Very low	53.8	Low	151 Å²	151	130.1 Å²	130.1	71%	0.706	70%	0.698	S	S	*	*	S	Bend	trans	-85.9	2.6	-178	-83	179.8	18.9	0	0	115.1	E833	E833-Q837 WeakPolarHBondContact O-CG 3.48Å; E833-Q837 PolarHBondContact O-N 3.16Å
838	N	42	Very low	52	Low	138 Å²	138	134.1 Å²	134.1	74%	0.738	71%	0.708	S	S	*	*			trans	-135.7	115.1	168.6	-85.4	-38.8	0	0	0	111.2
839	P	40.1	Very low	51	Low	195 Å²	195	136.4 Å²	136.4	100%	1.266	73%	0.726	S	S	*	*			trans	-79.4	0	154.2	34.8	-32.8	0	0	0	112.3

Retrieved 839 of 839 residues in 1102.4 ms (Link to these results)

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