A0A077YWS5_TRITR Loading...

Anaphase-promoting complex subunit 2

AlphaFold DB , UniProt , Accession A0A077YWS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 972 aa.

						>A0A077YWS5_TRITR|A0A077YWS5
MYQCNFCNRSFVDSVVWNEHVKRFHDIDKSGSCVLSGFESAAQNRIAQVKAKVEQLLDGPMKDQFHDLLSRVNPKKPLGIFTPVEYMYKKISPLLTKETFTREYIGALIVGKLLDPMPDKFLCCLNKVYLIALWHVDHDDYIGPEVHEDLMSCMNCGCSKDMYENESCTLLNDVHRINSLLTCLGLLKPILLPCSVSLAIKCIDEKINFLVSNLYTQGRSSAILLNWVEEGLTNWLITNFWSFDIAELPFESPFELAKRVTERFDANQKPDLRQYVLVNLGRCLMRDLFKLIDKFPESVNALLDLSMCVRRADLREDLSRCVLTMIDEFIRRSGMRFPPPTIARHRLPFAADVSTGYALIFYIRLLKSLHLVDPSDRLFEEVSPLLKAHLRRRQDMEKYLMDLLVELRWSDADNVLVRRKDLTRWDDPSIRSVFGNICSNCDVRRDVDYVRFTMERENSLCKDCRRLVESRRARTKPNMFEILVDIFADRGKFLKAFRKSFAVRMLLRTNFNTDLETDCLDRMRWSFSEEELIDCKVRLRDVRFSGGFDSHFHKQEDPRSLTHCVSGELVQQYPLWLNCFLQYMPWRCLVTSHDFWPPLDEEQFELPRRFKESLKRLVATFEKYRNRRTLEIYPAWGAVAMDLTLGETVCSVVVTSGLAAVIVQFTEKATWTATKLSESLSMSLNITRRRLSWWVKNGFLLKSGVDKYTLRSEAEPIEGKGKPIFCLDESSFAEEGASANDLEISEKTSPEFSRLEAYWSYVHGLIKTMRGMSAERILQLMEMMKKAHEERLNLTIVEQFLKLKVEAGILNSVTINVGEEEVPIEQIVGFLSSNAHLAHVAVEEVKKLRKALDVRCGELLEQFGQLHSQTDDDMHRYEQFTMVFDRVEISFEILDDYEEIQLNDFARVEGSVGILIPVISALKYLEQSYEEFHNRRDEELVVEANKVRFFINLLNDGNYSGQNYFMVEYLKN
					

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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	23.1	Very low	28.6	Very low	227 Å²	227	134.5 Å²	134.5	100%	1.118	66%	0.655	S	S	*	*				0	25.2	0	-142.5	-176.5	-81.3	0	0	113.2
2	Y	25.7	Very low	29	Very low	181 Å²	181	131.5 Å²	131.5	71%	0.71	65%	0.65	S	S	*	*			trans	-132.4	79.7	173.7	-70.1	-77.3	0	0	0	109
3	Q	22.5	Very low	29.4	Very low	147 Å²	147	128.6 Å²	128.6	69%	0.687	64%	0.639	S	S	*	*			trans	-76	125.3	156.2	-85.1	172.5	-30.7	0	0	106.5	N5	Q3-N5 PolarHBondContact O-N 3.47Å; Q3-N5 VanDerWaalsContact O-N 3.14Å
4	C	29	Very low	30	Very low	61 Å²	61	122 Å²	122	41%	0.412	61%	0.611	S	S	.	*			trans	-63.1	114	164.2	172.8	0	0	0	0	107	F6 C7 N8	C4-F6 PolarHBondContact O-N 3.31Å; C4-C7 VanDerWaalsContact CB-SG 3.51Å; C4-C7 PolarHBondContact O-N 3.34Å; C4-C7 VanDerWaalsContact SG-SG 3.6Å; C4-N8 PolarHBondContact O-N 3.39Å
5	N	30.8	Very low	30.5	Very low	155 Å²	155	120.2 Å²	120.2	83%	0.829	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-5.3	-179.3	-77.8	-17.4	0	0	0	113.6	Q3	Q3-N5 PolarHBondContact O-N 3.47Å; Q3-N5 VanDerWaalsContact O-N 3.14Å
6	F	30.9	Very low	30.9	Very low	187 Å²	187	119.3 Å²	119.3	82%	0.82	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-23	179.8	-82.2	-81.4	0	0	0	115.9	C4	C4-F6 PolarHBondContact O-N 3.31Å
7	C	34.2	Very low	31	Very low	71 Å²	71	116.5 Å²	116.5	48%	0.48	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.1	-7.8	-174	72.7	0	0	0	0	116.2	C4 R9	C4-C7 VanDerWaalsContact CB-SG 3.51Å; C4-C7 PolarHBondContact O-N 3.34Å; C4-C7 VanDerWaalsContact SG-SG 3.6Å; C7-R9 PolarHBondContact O-N 3.18Å
8	N	29.8	Very low	31.4	Very low	134 Å²	134	114.6 Å²	114.6	72%	0.717	58%	0.583	S	S	*	*			trans	48.9	15.5	178.2	-133.8	16.2	0	0	0	116.1	C4	C4-N8 PolarHBondContact O-N 3.39Å
9	R	26	Very low	31.9	Very low	165 Å²	165	113.4 Å²	113.4	62%	0.623	58%	0.575	S	S	*	*			trans	-99.4	130.7	176.5	-72.1	-173.9	-175.2	-169.5	2	109.4	C7	C7-R9 PolarHBondContact O-N 3.18Å
10	S	31.3	Very low	32.1	Very low	57 Å²	57	111.3 Å²	111.3	40%	0.399	56%	0.562	S	S	.	*			trans	-64.5	144.4	165.3	86.9	0	0	0	0	108	V12 D13	S10-V12 PolarHBondContact O-N 3.47Å; S10-V12 VanDerWaalsContact O-N 3.07Å; S10-D13 PolarHBondContact O-N 3.14Å; S10-D13 VanDerWaalsContact OG-CG 3.29Å; S10-D13 PolarHBondContact OG-N 3.3Å; S10-D13 PolarHBondContact OG-OD2 2.66Å
11	F	31.3	Very low	32.3	Very low	95 Å²	95	108.8 Å²	108.8	42%	0.417	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-59.2	-21.4	178	-168.6	-101.1	0	0	0	112.2	D13 S14 W17 P193	F11-D13 PolarHBondContact O-N 3.16Å; F11-S14 PolarHBondContact O-N 2.93Å; F11-W17 HydrophobicContact CE1-CE3 4.08Å; F11-W17 HydrophobicContact CE1-CZ3 4.43Å; F11-P193 HydrophobicContact CE1-CB 3.61Å; F11-P193 HydrophobicContact CZ-CB 3.47Å; F11-P193 VanDerWaalsContact CZ-CB 3.47Å; F11-P193 WeakPolarHBondContact CZ-O 3.49Å
12	V	33.5	Very low	33	Very low	98 Å²	98	104.9 Å²	104.9	59%	0.594	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-68.8	-20.5	174.9	-167.2	0	0	0	0	112.1	S10	S10-V12 PolarHBondContact O-N 3.47Å; S10-V12 VanDerWaalsContact O-N 3.07Å
13	D	34.4	Very low	33.7	Very low	94 Å²	94	103.5 Å²	103.5	50%	0.503	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-100.5	11.8	-179.7	-57.9	-49.9	0	0	0	114	S10 F11 V15	S10-D13 PolarHBondContact O-N 3.14Å; S10-D13 VanDerWaalsContact OG-CG 3.29Å; S10-D13 PolarHBondContact OG-N 3.3Å; S10-D13 PolarHBondContact OG-OD2 2.66Å; F11-D13 PolarHBondContact O-N 3.16Å; D13-V15 PolarHBondContact O-N 2.81Å
14	S	37.1	Very low	34.2	Very low	36 Å²	36	99.4 Å²	99.4	25%	0.252	50%	0.502	S	S	.	.			trans	-68.2	127.9	174.3	172.1	0	0	0	0	110.6	F11 V16 W17 N18	F11-S14 PolarHBondContact O-N 2.93Å; S14-V16 PolarHBondContact O-N 3.32Å; S14-V16 PolarHBondContact OG-N 2.92Å; S14-W17 WeakPolarHBondContact O-CB 3.48Å; S14-W17 PolarHBondContact O-N 3.21Å; S14-N18 PolarHBondContact O-N 2.88Å; S14-N18 VanDerWaalsContact O-N 3.1Å
15	V	38.4	Very low	34.5	Very low	95 Å²	95	102.4 Å²	102.4	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-54.6	-35.6	173.8	178.2	0	0	0	0	110.5	D13 N18 E19	D13-V15 PolarHBondContact O-N 2.81Å; V15-N18 PolarHBondContact O-N 3.32Å; V15-E19 WeakPolarHBondContact O-CB 2.88Å; V15-E19 PolarHBondContact O-N 2.8Å
16	V	36.2	Very low	34.8	Very low	105 Å²	105	99.4 Å²	99.4	64%	0.636	49%	0.494	S	S	*	.	H	α-helix	trans	-66.7	-39.3	178.4	-175.8	0	0	0	0	112	S14 H20	S14-V16 PolarHBondContact O-N 3.32Å; S14-V16 PolarHBondContact OG-N 2.92Å; V16-H20 WeakPolarHBondContact O-CB 3.47Å; V16-H20 PolarHBondContact O-N 3.42Å
17	W	32.9	Very low	35	Very low	73 Å²	73	95.1 Å²	95.1	28%	0.277	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.2	179.7	-97	0	0	0	110.7	F11 S14 E19 H20 V21 P193	F11-W17 HydrophobicContact CE1-CE3 4.08Å; F11-W17 HydrophobicContact CE1-CZ3 4.43Å; S14-W17 WeakPolarHBondContact O-CB 3.48Å; S14-W17 PolarHBondContact O-N 3.21Å; W17-E19 PolarHBondContact O-N 2.8Å; W17-H20 PolarHBondContact O-N 3.26Å; W17-V21 WeakPolarHBondContact O-CB 3.49Å; W17-V21 WeakPolarHBondContact O-CG2 3.05Å; W17-V21 PolarHBondContact O-N 3.21Å; W17-P193 HydrophobicContact CE3-CB 4.08Å; W17-P193 HydrophobicContact CE3-CG 3.99Å; W17-P193 HydrophobicContact CZ3-CB 4.03Å; W17-P193 HydrophobicContact CZ3-CG 3.78Å
18	N	38.6	Very low	35.1	Very low	82 Å²	82	97.6 Å²	97.6	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-33	178.5	-74.1	-39	0	0	0	113.4	S14 V15 K22	S14-N18 PolarHBondContact O-N 2.88Å; S14-N18 VanDerWaalsContact O-N 3.1Å; V15-N18 PolarHBondContact O-N 3.32Å; N18-K22 VanDerWaalsContact O-CB 3.28Å; N18-K22 WeakPolarHBondContact O-CB 3.22Å; N18-K22 WeakPolarHBondContact O-CG 3.47Å; N18-K22 PolarHBondContact O-N 2.68Å
19	E	40.4	Very low	35.3	Very low	92 Å²	92	99.5 Å²	99.5	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-76.6	-36.4	177.5	-143.1	-171.9	147.8	0	0	112.3	V15 W17 K22 R23	V15-E19 WeakPolarHBondContact O-CB 2.88Å; V15-E19 PolarHBondContact O-N 2.8Å; W17-E19 PolarHBondContact O-N 2.8Å; E19-K22 PolarHBondContact O-N 3.37Å; E19-R23 WeakPolarHBondContact O-CG 3.17Å; E19-R23 PolarHBondContact O-N 3.49Å; E19-R23 IonicContact OE1-CZ 4Å; E19-R23 IonicContact OE1-NE 3.03Å; E19-R23 IonicContact OE1-NH2 3.91Å; E19-R23 PolarHBondContact OE1-NH2 2.97Å
20	H	36.7	Very low	35.6	Very low	71 Å²	71	95.5 Å²	95.5	33%	0.329	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-41.3	176.2	-150.7	80.3	0	0	0	111.6	V16 W17 R23 F24	V16-H20 WeakPolarHBondContact O-CB 3.47Å; V16-H20 PolarHBondContact O-N 3.42Å; W17-H20 PolarHBondContact O-N 3.26Å; H20-R23 PolarHBondContact O-N 2.79Å; H20-F24 PolarHBondContact O-N 3.28Å
21	V	34.9	Very low	35.5	Very low	58 Å²	58	96.2 Å²	96.2	35%	0.352	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-39.8	172.1	172.1	0	0	0	0	111.2	W17 F24 H25	W17-V21 WeakPolarHBondContact O-CB 3.49Å; W17-V21 WeakPolarHBondContact O-CG2 3.05Å; W17-V21 PolarHBondContact O-N 3.21Å; V21-F24 PolarHBondContact O-N 3.4Å; V21-H25 PolarHBondContact O-CD2 3.07Å; V21-H25 PolarHBondContact O-N 2.78Å
22	K	38.9	Very low	35.4	Very low	145 Å²	145	96.7 Å²	96.7	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-62	-47.3	172.8	-89.9	-179.3	173.4	-179.2	0	112.8	N18 E19 F24 H25 D26	N18-K22 VanDerWaalsContact O-CB 3.28Å; N18-K22 WeakPolarHBondContact O-CB 3.22Å; N18-K22 WeakPolarHBondContact O-CG 3.47Å; N18-K22 PolarHBondContact O-N 2.68Å; E19-K22 PolarHBondContact O-N 3.37Å; K22-F24 VanDerWaalsContact C-N 3.28Å; K22-F24 PolarHBondContact O-N 3.45Å; K22-H25 PolarHBondContact O-N 3Å; K22-H25 VanDerWaalsContact O-N 3.15Å; K22-D26 PolarHBondContact O-N 2.72Å
23	R	39.1	Very low	35.2	Very low	153 Å²	153	96.3 Å²	96.3	58%	0.577	52%	0.519	S	S	*	.	H	α-helix	trans	-61.6	-36.9	177.3	-75.2	-178.9	-167.1	176.9	9.1	112.1	E19 H20 D26 I27	E19-R23 WeakPolarHBondContact O-CG 3.17Å; E19-R23 PolarHBondContact O-N 3.49Å; E19-R23 IonicContact OE1-CZ 4Å; E19-R23 IonicContact OE1-NE 3.03Å; E19-R23 IonicContact OE1-NH2 3.91Å; E19-R23 PolarHBondContact OE1-NH2 2.97Å; H20-R23 PolarHBondContact O-N 2.79Å; R23-D26 PolarHBondContact O-N 3.11Å; R23-I27 WeakPolarHBondContact O-CG1 3.43Å; R23-I27 PolarHBondContact O-N 3.37Å
24	F	34.2	Very low	35	Very low	60 Å²	60	98.4 Å²	98.4	26%	0.263	54%	0.535	S	S	.	.	H	α-helix	trans	-65.1	-39.2	174.3	-112.5	-86	0	0	0	112.8	H20 V21 K22 E103	H20-F24 PolarHBondContact O-N 3.28Å; V21-F24 PolarHBondContact O-N 3.4Å; K22-F24 VanDerWaalsContact C-N 3.28Å; K22-F24 PolarHBondContact O-N 3.45Å; F24-E103 HydrophobicContact CE1-CB 4.29Å
25	H	34.3	Very low	34.8	Very low	125 Å²	125	102 Å²	102	58%	0.579	55%	0.55	S	S	*	*	H	α-helix	trans	-73.7	-26.3	175.2	-83.1	-58.6	0	0	0	114.1	V21 K22 D28	V21-H25 PolarHBondContact O-CD2 3.07Å; V21-H25 PolarHBondContact O-N 2.78Å; K22-H25 PolarHBondContact O-N 3Å; K22-H25 VanDerWaalsContact O-N 3.15Å; H25-D28 WeakPolarHBondContact O-CB 3.28Å
26	D	37.1	Very low	34.4	Very low	91 Å²	91	103.4 Å²	103.4	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-78.8	-25.2	177.3	-75.9	-29.1	0	0	0	112.9	K22 R23 D28 K29 S30	K22-D26 PolarHBondContact O-N 2.72Å; R23-D26 PolarHBondContact O-N 3.11Å; D26-D28 PolarHBondContact O-N 3.18Å; D26-K29 PolarHBondContact O-N 3.28Å; D26-S30 PolarHBondContact O-N 3.24Å
27	I	36.3	Very low	34.3	Very low	97 Å²	97	101.2 Å²	101.2	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-62.4	-30.4	171.6	-69.5	164.2	0	0	0	111.4	R23 K29 S30	R23-I27 WeakPolarHBondContact O-CG1 3.43Å; R23-I27 PolarHBondContact O-N 3.37Å; I27-K29 PolarHBondContact O-N 3.22Å; I27-S30 PolarHBondContact O-N 3.24Å; I27-S30 PolarHBondContact O-OG 2.99Å
28	D	36.2	Very low	34.4	Very low	123 Å²	123	107 Å²	107	66%	0.658	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-19.2	174.1	-115.4	-3.1	0	0	0	112.9	H25 D26	H25-D28 WeakPolarHBondContact O-CB 3.28Å; D26-D28 PolarHBondContact O-N 3.18Å
29	K	34.4	Very low	34.4	Very low	174 Å²	174	108.2 Å²	108.2	76%	0.757	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-24.5	176.8	-69.4	179.8	-178.3	167.8	0	113.3	D26 I27 G31	D26-K29 PolarHBondContact O-N 3.28Å; I27-K29 PolarHBondContact O-N 3.22Å; K29-G31 PolarHBondContact O-N 2.87Å
30	S	31.1	Very low	35.1	Very low	81 Å²	81	108.4 Å²	108.4	57%	0.566	61%	0.605	S	S	*	*			trans	-90.7	48.7	176.8	62.5	0	0	0	0	112.2	D26 I27 S32	D26-S30 PolarHBondContact O-N 3.24Å; I27-S30 PolarHBondContact O-N 3.24Å; I27-S30 PolarHBondContact O-OG 2.99Å; S30-S32 PolarHBondContact O-N 2.95Å; S30-S32 VanDerWaalsContact O-N 3.12Å
31	G	30.1	Very low	35.9	Very low	72 Å²	72	108.4 Å²	108.4	74%	0.742	62%	0.617	S	S	*	*			trans	-80.9	51.5	169.7	0	0	0	0	0	112.6	K29 C33	K29-G31 PolarHBondContact O-N 2.87Å; G31-C33 VanDerWaalsContact C-N 3.34Å; G31-C33 PolarHBondContact O-N 3.48Å
32	S	27.7	Very low	36.7	Very low	105 Å²	105	107.2 Å²	107.2	73%	0.734	61%	0.614	S	S	*	*			trans	-90	78.4	163.3	69.4	0	0	0	0	108.7	S30 V34	S30-S32 PolarHBondContact O-N 2.95Å; S30-S32 VanDerWaalsContact O-N 3.12Å; S32-V34 PolarHBondContact O-N 3.31Å
33	C	30.2	Very low	37.6	Very low	91 Å²	91	106.3 Å²	106.3	62%	0.615	61%	0.612	S	S	*	*			trans	-65	113.5	169	-165.9	0	0	0	0	108.4	G31 L35	G31-C33 VanDerWaalsContact C-N 3.34Å; G31-C33 PolarHBondContact O-N 3.48Å; C33-L35 PolarHBondContact O-N 3.26Å
34	V	30.5	Very low	38.6	Very low	137 Å²	137	104 Å²	104	83%	0.83	61%	0.611	S	S	*	*	S	Bend	trans	-75.6	57.1	171.2	-173.9	0	0	0	0	109.2	S32	S32-V34 PolarHBondContact O-N 3.31Å
35	L	32.2	Very low	39.9	Very low	111 Å²	111	108.1 Å²	108.1	58%	0.581	63%	0.625	S	S	*	*			trans	-143.1	47.8	170	-70.5	176.4	0	0	0	109.6	C33 G37	C33-L35 PolarHBondContact O-N 3.26Å; L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 2.87Å
36	S	30.1	Very low	41.2	Very low	125 Å²	125	104.2 Å²	104.2	87%	0.874	61%	0.608	S	S	*	*			trans	-76.3	81.6	165	59.1	0	0	0	0	108.9
37	G	35.2	Very low	42.6	Very low	59 Å²	59	102.5 Å²	102.5	61%	0.608	61%	0.606	S	S	*	*	S	Bend	trans	-168.8	-38.4	175.8	0	0	0	0	0	116.4	L35	L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 2.87Å
38	F	33.1	Very low	44.1	Very low	194 Å²	194	103.7 Å²	103.7	85%	0.851	61%	0.61	S	S	*	*	S	Bend	trans	-156.9	95.1	-176.6	-80.5	-90.9	0	0	0	108.9
39	E	39.8	Very low	45.6	Very low	108 Å²	108	99 Å²	99	51%	0.505	59%	0.586	S	S	.	*			trans	176	76.6	164.6	-101.7	165.8	-148.9	0	0	113.3	A42	E39-A42 HydrophobicContact CB-CB 4.39Å; E39-A42 HydrophobicContact CG-CB 3.78Å
40	S	54.2	Low	47.2	Very low	97 Å²	97	93.6 Å²	93.6	68%	0.678	56%	0.562	S	S	*	*	S	Bend	trans	-93.9	-23.4	167.5	68.5	0	0	0	0	113.3	N44	S40-N44 PolarHBondContact O-ND2 3.45Å
41	A	54.1	Low	49.1	Very low	70 Å²	70	92 Å²	92	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-81.9	-36.2	-179.8	0	0	0	0	0	113	R45	A41-R45 PolarHBondContact O-N 3.3Å; A41-R45 VanDerWaalsContact O-N 3.16Å
42	A	52.7	Low	51.1	Low	34 Å²	34	94.2 Å²	94.2	28%	0.281	54%	0.543	S	S	.	.	H	α-helix	trans	-69.7	-42.6	179.2	0	0	0	0	0	111.9	E39 N44 R45 I46	E39-A42 HydrophobicContact CB-CB 4.39Å; E39-A42 HydrophobicContact CG-CB 3.78Å; A42-N44 PolarHBondContact O-N 2.96Å; A42-R45 PolarHBondContact O-N 3.37Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 2.97Å
43	Q	57	Low	53.2	Low	125 Å²	125	89.3 Å²	89.3	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-40.6	177.6	-69.4	-176.5	-10.2	0	0	112.6	I46 A47	Q43-I46 PolarHBondContact O-N 3.47Å; Q43-A47 PolarHBondContact O-N 3.48Å
44	N	61	Low	55.1	Low	106 Å²	106	88 Å²	88	57%	0.567	49%	0.493	S	S	*	.	H	α-helix	trans	-66.8	-38.2	175	-80.4	-41.8	0	0	0	112.7	S40 A42 A47 Q48	S40-N44 PolarHBondContact O-ND2 3.45Å; A42-N44 PolarHBondContact O-N 2.96Å; N44-A47 PolarHBondContact O-N 3.23Å; N44-Q48 WeakPolarHBondContact O-CG 3.33Å; N44-Q48 PolarHBondContact O-N 2.95Å
45	R	60.2	Low	57.2	Low	145 Å²	145	88.6 Å²	88.6	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-42.7	172.8	-80.2	-178.3	176.7	177	1.5	111.7	A41 A42 Q48 V49 E98	A41-R45 PolarHBondContact O-N 3.3Å; A41-R45 VanDerWaalsContact O-N 3.16Å; A42-R45 PolarHBondContact O-N 3.37Å; R45-Q48 PolarHBondContact O-N 2.96Å; R45-V49 WeakPolarHBondContact O-CG2 3.37Å; R45-V49 PolarHBondContact O-N 2.95Å; R45-E98 IonicContact NH1-OE2 2.69Å; R45-E98 PolarHBondContact NH1-OE2 3.43Å
46	I	62.3	Low	59.3	Low	44 Å²	44	86.4 Å²	86.4	23%	0.226	48%	0.475	C	S	.	.	H	α-helix	trans	-60.7	-47.7	176.5	-68.8	163.3	0	0	0	110.1	A42 Q43 Q48 V49 K50 T99 T101	A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 2.97Å; Q43-I46 PolarHBondContact O-N 3.47Å; I46-Q48 PolarHBondContact O-N 3.47Å; I46-V49 PolarHBondContact O-N 3.06Å; I46-K50 HydrophobicContact CG2-CD 4.32Å; I46-K50 HydrophobicContact CG2-CG 4.44Å; I46-K50 VanDerWaalsContact O-CG 3.3Å; I46-K50 WeakPolarHBondContact O-CG 3.46Å; I46-K50 PolarHBondContact O-N 2.96Å; I46-T99 HydrophobicContact CG1-CG2 4Å; I46-T101 HydrophobicContact CG2-CG2 3.87Å
47	A	65.9	Low	61.3	Low	54 Å²	54	80.4 Å²	80.4	45%	0.446	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-39.8	177.4	0	0	0	0	0	113.1	Q43 N44 K50 A51	Q43-A47 PolarHBondContact O-N 3.48Å; N44-A47 PolarHBondContact O-N 3.23Å; A47-K50 PolarHBondContact O-N 2.88Å; A47-A51 PolarHBondContact O-N 3.32Å
48	Q	68.3	Low	63.1	Low	123 Å²	123	82 Å²	82	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-67.2	-37.9	175.9	-75.1	178.3	6.1	0	0	113.1	N44 R45 I46 K52	N44-Q48 WeakPolarHBondContact O-CG 3.33Å; N44-Q48 PolarHBondContact O-N 2.95Å; R45-Q48 PolarHBondContact O-N 2.96Å; I46-Q48 PolarHBondContact O-N 3.47Å; Q48-K52 WeakPolarHBondContact O-CG 3.41Å; Q48-K52 PolarHBondContact O-N 3.49Å; Q48-K52 VanDerWaalsContact O-N 3.15Å
49	V	66.5	Low	65	Low	25 Å²	25	73.6 Å²	73.6	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-66.2	-43.7	174.6	172.1	0	0	0	0	110.1	R45 I46 A51 K52 V53	R45-V49 WeakPolarHBondContact O-CG2 3.37Å; R45-V49 PolarHBondContact O-N 2.95Å; I46-V49 PolarHBondContact O-N 3.06Å; V49-A51 PolarHBondContact O-N 3.14Å; V49-K52 PolarHBondContact O-N 3.11Å; V49-V53 HydrophobicContact CG1-CG2 4.36Å; V49-V53 WeakPolarHBondContact O-CG2 3.5Å; V49-V53 PolarHBondContact O-N 3.33Å
50	K	68.2	Low	66.5	Low	60 Å²	60	73 Å²	73	26%	0.261	40%	0.402	S	S	.	.	H	α-helix	trans	-56.2	-51.5	175.9	-70.1	-174.6	171.7	-162.5	0	112	I46 A47 K52 V53 E54 Y104	I46-K50 HydrophobicContact CG2-CD 4.32Å; I46-K50 HydrophobicContact CG2-CG 4.44Å; I46-K50 VanDerWaalsContact O-CG 3.3Å; I46-K50 WeakPolarHBondContact O-CG 3.46Å; I46-K50 PolarHBondContact O-N 2.96Å; A47-K50 PolarHBondContact O-N 2.88Å; K50-K52 VanDerWaalsContact C-N 3.34Å; K50-K52 PolarHBondContact O-N 2.95Å; K50-V53 PolarHBondContact O-N 3.33Å; K50-E54 PolarHBondContact O-N 3.05Å; K50-Y104 HydrophobicContact CB-CE1 3.91Å; K50-Y104 HydrophobicContact CD-CD1 3.96Å; K50-Y104 HydrophobicContact CD-CE1 3.42Å; K50-Y104 VanDerWaalsContact CD-CE1 3.42Å; K50-Y104 HydrophobicContact CD-CE2 4.23Å; K50-Y104 HydrophobicContact CG-CD1 3.86Å; K50-Y104 HydrophobicContact CG-CE1 3.36Å
51	A	71.9	Confident	67.6	Low	46 Å²	46	68.5 Å²	68.5	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-36.9	179.9	0	0	0	0	0	113.3	A47 V49 Q55	A47-A51 PolarHBondContact O-N 3.32Å; V49-A51 PolarHBondContact O-N 3.14Å; A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 2.89Å
52	K	72	Confident	68.7	Low	120 Å²	120	68.6 Å²	68.6	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-68.7	-39.2	176.1	-79.4	-179.1	178.9	178.4	0	112.6	Q48 V49 K50 L56	Q48-K52 WeakPolarHBondContact O-CG 3.41Å; Q48-K52 PolarHBondContact O-N 3.49Å; Q48-K52 VanDerWaalsContact O-N 3.15Å; V49-K52 PolarHBondContact O-N 3.11Å; K50-K52 VanDerWaalsContact C-N 3.34Å; K50-K52 PolarHBondContact O-N 2.95Å; K52-L56 WeakPolarHBondContact O-CB 3.24Å; K52-L56 PolarHBondContact O-N 3.46Å; K52-L56 VanDerWaalsContact O-N 3.08Å
53	V	70.8	Confident	69.9	Low	1 Å²	1	72.5 Å²	72.5	1%	0.006	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-43.7	176	172.7	0	0	0	0	110	V49 K50 Q55 L56 L57 L94 I105 L108	V49-V53 HydrophobicContact CG1-CG2 4.36Å; V49-V53 WeakPolarHBondContact O-CG2 3.5Å; V49-V53 PolarHBondContact O-N 3.33Å; K50-V53 PolarHBondContact O-N 3.33Å; V53-Q55 PolarHBondContact O-N 3.38Å; V53-L56 PolarHBondContact O-N 2.82Å; V53-L57 HydrophobicContact CG1-CD1 3.78Å; V53-L57 HydrophobicContact CG1-CG 4.25Å; V53-L57 WeakPolarHBondContact O-CB 3.33Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.48Å; V53-L57 PolarHBondContact O-N 2.85Å; V53-L94 HydrophobicContact CG2-CB 4.43Å; V53-L94 HydrophobicContact CG2-CD1 3.88Å; V53-I105 HydrophobicContact CG1-CG2 4.49Å; V53-L108 HydrophobicContact CG1-CD1 4.34Å
54	E	71.5	Confident	71	Confident	64 Å²	64	71 Å²	71	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-46.4	175.5	-75.7	170.3	-165.5	0	0	112.5	K50 L56 L57 D58 Y104 L108	K50-E54 PolarHBondContact O-N 3.05Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 3.29Å; E54-L57 PolarHBondContact O-N 2.93Å; E54-D58 PolarHBondContact O-N 2.77Å; E54-Y104 PolarHBondContact OE1-OH 2.99Å; E54-L108 HydrophobicContact CG-CD1 3.74Å; E54-L108 HydrophobicContact CG-CD2 3.91Å
55	Q	74.9	Confident	72	Confident	149 Å²	149	66 Å²	66	70%	0.696	34%	0.34	S	S	*	.	H	α-helix	trans	-62	-35.5	176.3	-77	-178.4	-4.8	0	0	113.4	A51 V53 G59	A51-Q55 WeakPolarHBondContact O-CG 3.47Å; A51-Q55 PolarHBondContact O-N 2.89Å; V53-Q55 PolarHBondContact O-N 3.38Å; Q55-G59 PolarHBondContact O-N 3.18Å
56	L	75.5	Confident	73	Confident	65 Å²	65	62.4 Å²	62.4	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-68.8	-42.7	175.4	-87.2	158.6	0	0	0	111.9	K52 V53 E54 G59 M61 L94	K52-L56 WeakPolarHBondContact O-CB 3.24Å; K52-L56 PolarHBondContact O-N 3.46Å; K52-L56 VanDerWaalsContact O-N 3.08Å; V53-L56 PolarHBondContact O-N 2.82Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 3.29Å; L56-G59 PolarHBondContact O-N 3.34Å; L56-M61 VanDerWaalsContact O-CB 3.22Å; L56-M61 WeakPolarHBondContact O-CB 3.46Å; L56-L94 HydrophobicContact CD1-CD1 3.34Å
57	L	71.8	Confident	73.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.9	-30.3	-179.8	-68	173.9	0	0	0	112.9	V53 E54 G59 M61 K62 I91 L108 I109 K112 L113	V53-L57 HydrophobicContact CG1-CD1 3.78Å; V53-L57 HydrophobicContact CG1-CG 4.25Å; V53-L57 WeakPolarHBondContact O-CB 3.33Å; V53-L57 VanDerWaalsContact O-CG 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.48Å; V53-L57 PolarHBondContact O-N 2.85Å; E54-L57 PolarHBondContact O-N 2.93Å; L57-G59 VanDerWaalsContact C-N 3.32Å; L57-M61 HydrophobicContact CD2-SD 4.39Å; L57-K62 WeakPolarHBondContact O-CB 3.47Å; L57-I91 HydrophobicContact CD2-CD1 4.34Å; L57-L108 HydrophobicContact CD1-CB 3.96Å; L57-I109 HydrophobicContact CD1-CG1 4.28Å; L57-I109 HydrophobicContact CD2-CG1 4.18Å; L57-K112 HydrophobicContact CB-CB 4.3Å; L57-L113 HydrophobicContact CD2-CD1 3.32Å; L57-L113 HydrophobicContact CD2-CG 3.86Å
58	D	72.5	Confident	74.6	Confident	91 Å²	91	63 Å²	63	49%	0.487	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.3	174.2	-72.5	-26.6	0	0	0	113	E54 K112	E54-D58 PolarHBondContact O-N 2.77Å; D58-K112 VanDerWaalsContact CG-NZ 3.26Å; D58-K112 WeakPolarHBondContact OD1-CD 3.37Å; D58-K112 IonicContact OD1-NZ 2.74Å; D58-K112 PolarHBondContact OD1-NZ 3.19Å; D58-K112 IonicContact OD2-NZ 3.86Å; D58-K112 PolarHBondContact OD2-NZ 3.41Å
59	G	73.6	Confident	75.1	Confident	19 Å²	19	57.5 Å²	57.5	20%	0.196	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-156	-176	0	0	0	0	0	114.8	Q55 L56 L57 M61 K62	Q55-G59 PolarHBondContact O-N 3.18Å; L56-G59 PolarHBondContact O-N 3.34Å; L57-G59 VanDerWaalsContact C-N 3.32Å; G59-M61 PolarHBondContact O-N 3.3Å; G59-K62 PolarHBondContact O-N 3.07Å; G59-K62 VanDerWaalsContact O-N 3.1Å
60	P	71.7	Confident	75.7	Confident	94 Å²	94	59.4 Å²	59.4	61%	0.61	31%	0.314	S	S	*	.	H	α-helix	trans	-63.5	-11.7	-174.3	26.8	-35.5	0	0	0	114	K62 Q64	P60-K62 VanDerWaalsContact C-N 3.34Å; P60-Q64 WeakPolarHBondContact O-CB 3.49Å; P60-Q64 VanDerWaalsContact O-CG 3.3Å; P60-Q64 WeakPolarHBondContact O-CG 3.17Å; P60-Q64 PolarHBondContact O-N 3.03Å; P60-Q64 VanDerWaalsContact O-N 3.14Å
61	M	77.3	Confident	76.2	Confident	4 Å²	4	65 Å²	65	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-38	174.8	-169.4	179	173.2	0	0	111.9	L56 L57 G59 F65 Y86 M87 K90 I91	L56-M61 VanDerWaalsContact O-CB 3.22Å; L56-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 HydrophobicContact CD2-SD 4.39Å; G59-M61 PolarHBondContact O-N 3.3Å; M61-F65 VanDerWaalsContact O-CB 3.27Å; M61-F65 WeakPolarHBondContact O-CB 3.37Å; M61-F65 PolarHBondContact O-N 2.94Å; M61-Y86 HydrophobicContact CE-CE1 4.43Å; M61-Y86 HydrophobicContact CG-CE1 3.73Å; M61-M87 HydrophobicContact CE-CB 4.28Å; M61-M87 HydrophobicContact CE-CG 4.28Å; M61-K90 HydrophobicContact CE-CB 3.57Å; M61-K90 HydrophobicContact CE-CG 4.17Å; M61-K90 HydrophobicContact CG-CG 4.48Å; M61-K90 HydrophobicContact SD-CB 3.76Å; M61-K90 HydrophobicContact SD-CG 4.3Å; M61-I91 HydrophobicContact CE-CD1 3.93Å; M61-I91 HydrophobicContact CE-CG1 3.95Å; M61-I91 HydrophobicContact SD-CG1 4.46Å
62	K	77.5	Confident	76.4	Confident	71 Å²	71	63.3 Å²	63.3	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-49.2	179.5	177.7	164.5	-178.9	162.6	0	111.8	L57 G59 P60 Q64 F65 H66 K112 L113	L57-K62 WeakPolarHBondContact O-CB 3.47Å; G59-K62 PolarHBondContact O-N 3.07Å; G59-K62 VanDerWaalsContact O-N 3.1Å; P60-K62 VanDerWaalsContact C-N 3.34Å; K62-Q64 PolarHBondContact O-N 3.18Å; K62-F65 PolarHBondContact O-N 3.12Å; K62-H66 PolarHBondContact O-CD2 3.45Å; K62-H66 PolarHBondContact O-N 3.13Å; K62-K112 WeakPolarHBondContact CE-O 3.37Å; K62-K112 PolarHBondContact NZ-O 3.18Å; K62-L113 HydrophobicContact CB-CD2 3.74Å; K62-L113 HydrophobicContact CD-CD2 4.43Å; K62-L113 HydrophobicContact CG-CD2 3.83Å
63	D	77.7	Confident	76.4	Confident	117 Å²	117	61.4 Å²	61.4	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-63.8	-42.4	179.5	-61.9	-30.7	0	0	0	111.5	H66 D67	D63-H66 PolarHBondContact O-N 2.99Å; D63-D67 WeakPolarHBondContact O-CB 3.25Å; D63-D67 PolarHBondContact O-N 3.08Å
64	Q	80.4	Confident	76.3	Confident	93 Å²	93	63.5 Å²	63.5	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-36.1	176.6	-73.5	-177.6	6.9	0	0	112.7	P60 K62 D67 L68 Y86	P60-Q64 WeakPolarHBondContact O-CB 3.49Å; P60-Q64 VanDerWaalsContact O-CG 3.3Å; P60-Q64 WeakPolarHBondContact O-CG 3.17Å; P60-Q64 PolarHBondContact O-N 3.03Å; P60-Q64 VanDerWaalsContact O-N 3.14Å; K62-Q64 PolarHBondContact O-N 3.18Å; Q64-D67 PolarHBondContact O-N 2.96Å; Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 VanDerWaalsContact O-CG 3.24Å; Q64-L68 WeakPolarHBondContact O-CG 3.06Å; Q64-L68 PolarHBondContact O-N 3.49Å; Q64-Y86 HydrophobicContact CB-CE1 4.22Å; Q64-Y86 PolarHBondContact OE1-OH 3.37Å
65	F	81.3	Confident	76	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-46.8	174.2	175.1	-101.3	0	0	0	111.4	M61 K62 L68 L69 P83 M87 L113 L114 F121	M61-F65 VanDerWaalsContact O-CB 3.27Å; M61-F65 WeakPolarHBondContact O-CB 3.37Å; M61-F65 PolarHBondContact O-N 2.94Å; K62-F65 PolarHBondContact O-N 3.12Å; F65-L68 PolarHBondContact O-N 3.46Å; F65-L69 HydrophobicContact CE1-CD2 4.47Å; F65-L69 WeakPolarHBondContact O-CB 3.27Å; F65-L69 PolarHBondContact O-N 2.93Å; F65-P83 HydrophobicContact CD2-CB 4.02Å; F65-P83 HydrophobicContact CE2-CB 3.62Å; F65-M87 HydrophobicContact CD2-CG 3.7Å; F65-M87 HydrophobicContact CD2-SD 3.92Å; F65-M87 HydrophobicContact CE2-CE 3.67Å; F65-M87 HydrophobicContact CE2-CG 3.81Å; F65-M87 HydrophobicContact CE2-SD 3.5Å; F65-M87 WeakPolarHBondContact CE2-SD 3.17Å; F65-M87 HydrophobicContact CZ-CE 4.19Å; F65-M87 HydrophobicContact CZ-SD 3.99Å; F65-L113 HydrophobicContact CB-CD2 4.48Å; F65-L113 HydrophobicContact CD1-CD2 4.3Å; F65-L114 HydrophobicContact CE1-CD2 3.85Å; F65-L114 HydrophobicContact CZ-CD2 3.89Å; F65-F121 HydrophobicContact CZ-CD2 4.25Å; F65-F121 HydrophobicContact CZ-CE2 4.23Å
66	H	80.2	Confident	75.7	Confident	71 Å²	71	68.6 Å²	68.6	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-35.8	177.4	-71.1	-60.1	0	0	0	112.7	K62 D63 L69 S70 L113	K62-H66 PolarHBondContact O-CD2 3.45Å; K62-H66 PolarHBondContact O-N 3.13Å; D63-H66 PolarHBondContact O-N 2.99Å; H66-L69 PolarHBondContact O-N 3.19Å; H66-S70 WeakPolarHBondContact O-CB 3.34Å; H66-S70 PolarHBondContact O-N 3.13Å; H66-L113 PolarHBondContact CE1-O 3.33Å
67	D	82.1	Confident	75.3	Confident	65 Å²	65	65.6 Å²	65.6	35%	0.348	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-49.3	172.3	178.4	34.2	0	0	0	111.3	D63 Q64 L69 S70 R71	D63-D67 WeakPolarHBondContact O-CB 3.25Å; D63-D67 PolarHBondContact O-N 3.08Å; Q64-D67 PolarHBondContact O-N 2.96Å; D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.05Å; D67-S70 WeakPolarHBondContact O-CB 3.44Å; D67-S70 PolarHBondContact O-N 2.99Å; D67-S70 VanDerWaalsContact O-N 3.1Å; D67-S70 PolarHBondContact O-OG 3.33Å; D67-R71 WeakPolarHBondContact O-CG 3.43Å; D67-R71 PolarHBondContact O-N 3.42Å; D67-R71 IonicContact OD1-CZ 2.98Å; D67-R71 IonicContact OD1-NE 3.95Å; D67-R71 PolarHBondContact OD1-NE 3.35Å; D67-R71 IonicContact OD1-NH2 3.57Å; D67-R71 PolarHBondContact OD1-NH2 3.06Å; D67-R71 IonicContact OD2-CZ 3.38Å; D67-R71 VanDerWaalsContact OD2-CZ 3.28Å; D67-R71 IonicContact OD2-NE 3.31Å; D67-R71 PolarHBondContact OD2-NE 2.8Å; D67-R71 IonicContact OD2-NH2 3.28Å; D67-R71 PolarHBondContact OD2-NH2 3.42Å
68	L	80.4	Confident	75.2	Confident	44 Å²	44	67.3 Å²	67.3	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-42.1	175	-73.8	173.1	0	0	0	111.7	Q64 F65 S70 R71 V72 P83 Y86	Q64-L68 WeakPolarHBondContact O-CB 3.49Å; Q64-L68 VanDerWaalsContact O-CG 3.24Å; Q64-L68 WeakPolarHBondContact O-CG 3.06Å; Q64-L68 PolarHBondContact O-N 3.49Å; F65-L68 PolarHBondContact O-N 3.46Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-R71 PolarHBondContact O-N 3.32Å; L68-V72 WeakPolarHBondContact O-CG2 3.5Å; L68-V72 PolarHBondContact O-N 3.38Å; L68-P83 HydrophobicContact CB-CG 4.24Å; L68-Y86 HydrophobicContact CD1-CD1 4.09Å; L68-Y86 HydrophobicContact CD1-CD2 3.92Å; L68-Y86 HydrophobicContact CD1-CG 3.65Å
69	L	78.7	Confident	75.1	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-36.2	177.1	-171.4	66.1	0	0	0	112.4	F65 H66 D67 R71 V72 I80 P83 P118 F121	F65-L69 HydrophobicContact CE1-CD2 4.47Å; F65-L69 WeakPolarHBondContact O-CB 3.27Å; F65-L69 PolarHBondContact O-N 2.93Å; H66-L69 PolarHBondContact O-N 3.19Å; D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.05Å; L69-R71 PolarHBondContact O-N 3.32Å; L69-V72 HydrophobicContact CD1-CG2 4.48Å; L69-V72 WeakPolarHBondContact O-CB 3.48Å; L69-V72 PolarHBondContact O-N 3.41Å; L69-I80 HydrophobicContact CD1-CD1 3.63Å; L69-P83 HydrophobicContact CD1-CG 4.44Å; L69-P118 HydrophobicContact CD2-CB 3.59Å; L69-P118 HydrophobicContact CD2-CG 3.91Å; L69-F121 HydrophobicContact CD1-CB 3.97Å; L69-F121 HydrophobicContact CD1-CD2 3.83Å; L69-F121 HydrophobicContact CD1-CG 4.41Å; L69-F121 HydrophobicContact CD2-CB 4.09Å
70	S	78.8	Confident	75.1	Confident	65 Å²	65	63.4 Å²	63.4	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-33.2	178.6	81.5	0	0	0	0	112.4	H66 D67 L68 V72	H66-S70 WeakPolarHBondContact O-CB 3.34Å; H66-S70 PolarHBondContact O-N 3.13Å; D67-S70 WeakPolarHBondContact O-CB 3.44Å; D67-S70 PolarHBondContact O-N 2.99Å; D67-S70 VanDerWaalsContact O-N 3.1Å; D67-S70 PolarHBondContact O-OG 3.33Å; L68-S70 VanDerWaalsContact C-N 3.35Å; S70-V72 VanDerWaalsContact C-N 3.33Å
71	R	80	Confident	75.3	Confident	178 Å²	178	59.9 Å²	59.9	67%	0.672	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.3	178.5	-62.6	172	-168.8	-154.5	3.8	113.4	D67 L68 L69 N73	D67-R71 WeakPolarHBondContact O-CG 3.43Å; D67-R71 PolarHBondContact O-N 3.42Å; D67-R71 IonicContact OD1-CZ 2.98Å; D67-R71 IonicContact OD1-NE 3.95Å; D67-R71 PolarHBondContact OD1-NE 3.35Å; D67-R71 IonicContact OD1-NH2 3.57Å; D67-R71 PolarHBondContact OD1-NH2 3.06Å; D67-R71 IonicContact OD2-CZ 3.38Å; D67-R71 VanDerWaalsContact OD2-CZ 3.28Å; D67-R71 IonicContact OD2-NE 3.31Å; D67-R71 PolarHBondContact OD2-NE 2.8Å; D67-R71 IonicContact OD2-NH2 3.28Å; D67-R71 PolarHBondContact OD2-NH2 3.42Å; L68-R71 PolarHBondContact O-N 3.32Å; L69-R71 PolarHBondContact O-N 3.32Å; R71-N73 PolarHBondContact O-N 2.94Å
72	V	75.5	Confident	75.3	Confident	11 Å²	11	63.6 Å²	63.6	7%	0.067	32%	0.319	C	S	.	.			trans	-69.7	121.4	176.2	-179.4	0	0	0	0	109.6	L68 L69 S70 P74 P83	L68-V72 WeakPolarHBondContact O-CG2 3.5Å; L68-V72 PolarHBondContact O-N 3.38Å; L69-V72 HydrophobicContact CD1-CG2 4.48Å; L69-V72 WeakPolarHBondContact O-CB 3.48Å; L69-V72 PolarHBondContact O-N 3.41Å; S70-V72 VanDerWaalsContact C-N 3.33Å; V72-P74 WeakPolarHBondContact O-CD 3.49Å; V72-P83 HydrophobicContact CG2-CG 3.9Å
73	N	72.6	Confident	75.3	Confident	79 Å²	79	60.2 Å²	60.2	42%	0.422	30%	0.304	S	S	.	.			trans	-82.5	119.7	174.1	-175.9	-12.7	0	0	0	109.9	R71 K75 K76	R71-N73 PolarHBondContact O-N 2.94Å; N73-K75 PolarHBondContact O-N 2.96Å; N73-K75 WeakPolarHBondContact OD1-CB 3.44Å; N73-K75 PolarHBondContact OD1-N 3.45Å; N73-K76 CarbonylContact O-C 3.26Å; N73-K76 VanDerWaalsContact O-C 3.26Å; N73-K76 PolarHBondContact O-N 3.46Å; N73-K76 VanDerWaalsContact O-O 3.12Å
74	P	68.2	Low	75.3	Confident	45 Å²	45	54.7 Å²	54.7	29%	0.292	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.2	178.8	-20.6	32.3	0	0	0	115.1	V72 K127	V72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-K127 PolarHBondContact O-NZ 3.21Å
75	K	64.6	Low	75.3	Confident	166 Å²	166	52.1 Å²	52.1	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-18	171.8	-63.6	-171.6	175	-171.6	0	113.1	N73	N73-K75 PolarHBondContact O-N 2.96Å; N73-K75 WeakPolarHBondContact OD1-CB 3.44Å; N73-K75 PolarHBondContact OD1-N 3.45Å
76	K	70.4	Confident	75.3	Confident	155 Å²	155	53.9 Å²	53.9	67%	0.674	27%	0.269	S	S	*	.	S	Bend	trans	-121.7	76	173.9	-67.7	-169.4	177.7	-170.8	0	108.7	N73 L78 G79	N73-K76 CarbonylContact O-C 3.26Å; N73-K76 VanDerWaalsContact O-C 3.26Å; N73-K76 PolarHBondContact O-N 3.46Å; N73-K76 VanDerWaalsContact O-O 3.12Å; K76-L78 PolarHBondContact O-N 3.44Å; K76-L78 VanDerWaalsContact O-N 3.16Å; K76-G79 PolarHBondContact O-N 3.01Å
77	P	65.9	Low	75.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.6	-166.9	29.5	-36	0	0	0	113	G79 I80 C124 K127 V128 I131 M154	P77-G79 PolarHBondContact O-N 3.24Å; P77-G79 VanDerWaalsContact O-N 3.1Å; P77-I80 WeakPolarHBondContact O-CB 3.35Å; P77-I80 VanDerWaalsContact O-CG2 3.22Å; P77-I80 WeakPolarHBondContact O-CG2 3.23Å; P77-I80 PolarHBondContact O-N 3.45Å; P77-C124 HydrophobicContact CB-CB 4.3Å; P77-K127 HydrophobicContact CB-CB 3.81Å; P77-K127 HydrophobicContact CB-CD 4.43Å; P77-K127 HydrophobicContact CG-CB 4.06Å; P77-V128 HydrophobicContact CB-CG2 3.88Å; P77-V128 HydrophobicContact CG-CG2 4.38Å; P77-I131 HydrophobicContact CG-CD1 4.03Å; P77-M154 WeakPolarHBondContact CD-SD 3.43Å; P77-M154 HydrophobicContact CG-SD 3.95Å
78	L	69.5	Low	74.9	Confident	37 Å²	37	50.7 Å²	50.7	19%	0.194	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.6	-15	171.5	-64	174.5	0	0	0	113.7	K76 I80 F81 V128 N155 L170	K76-L78 PolarHBondContact O-N 3.44Å; K76-L78 VanDerWaalsContact O-N 3.16Å; L78-I80 PolarHBondContact O-N 3.32Å; L78-I80 VanDerWaalsContact O-N 3.11Å; L78-F81 HydrophobicContact CB-CD2 4.3Å; L78-F81 HydrophobicContact CB-CE2 4.33Å; L78-F81 HydrophobicContact CD2-CD2 4.15Å; L78-F81 HydrophobicContact CD2-CE2 3.36Å; L78-F81 HydrophobicContact CD2-CZ 3.76Å; L78-F81 HydrophobicContact CG-CE2 4.45Å; L78-F81 WeakPolarHBondContact O-CB 3.44Å; L78-F81 WeakPolarHBondContact O-CD2 3.41Å; L78-F81 WeakPolarHBondContact O-CG 3.49Å; L78-F81 PolarHBondContact O-N 2.86Å; L78-V128 HydrophobicContact CD2-CG1 4.45Å; L78-V128 HydrophobicContact CD2-CG2 4.29Å; L78-N155 HydrophobicContact CD1-CB 4.08Å; L78-L170 HydrophobicContact CD1-CD1 3.94Å; L78-L170 HydrophobicContact CD2-CD1 3.78Å; L78-L170 HydrophobicContact CG-CD1 4.37Å
79	G	70.7	Confident	74.9	Confident	27 Å²	27	55.4 Å²	55.4	28%	0.278	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.1	-16.8	170.6	0	0	0	0	0	113.7	K76 P77 F81 T82 P83	K76-G79 PolarHBondContact O-N 3.01Å; P77-G79 PolarHBondContact O-N 3.24Å; P77-G79 VanDerWaalsContact O-N 3.1Å; G79-F81 PolarHBondContact O-N 2.91Å; G79-T82 PolarHBondContact O-N 3.08Å; G79-P83 VanDerWaalsContact O-CD 3.23Å; G79-P83 WeakPolarHBondContact O-CD 3.47Å
80	I	74.5	Confident	74.9	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-67.1	-17.7	177.6	-154.9	62.3	0	0	0	113.5	L69 P77 L78 T82 P83 V84 F121 C124 L125 V128 I177	L69-I80 HydrophobicContact CD1-CD1 3.63Å; P77-I80 WeakPolarHBondContact O-CB 3.35Å; P77-I80 VanDerWaalsContact O-CG2 3.22Å; P77-I80 WeakPolarHBondContact O-CG2 3.23Å; P77-I80 PolarHBondContact O-N 3.45Å; L78-I80 PolarHBondContact O-N 3.32Å; L78-I80 VanDerWaalsContact O-N 3.11Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 3.49Å; I80-P83 WeakPolarHBondContact O-CD 3.49Å; I80-V84 WeakPolarHBondContact O-CG2 3.46Å; I80-V84 PolarHBondContact O-N 3.47Å; I80-F121 HydrophobicContact CD1-CD2 3.5Å; I80-F121 VanDerWaalsContact CD1-CD2 3.5Å; I80-F121 HydrophobicContact CD1-CE2 3.97Å; I80-F121 HydrophobicContact CD1-CG 4.25Å; I80-F121 HydrophobicContact CG1-CD2 4.08Å; I80-F121 HydrophobicContact CG1-CE2 4.11Å; I80-C124 HydrophobicContact CB-CB 4.07Å; I80-C124 HydrophobicContact CD1-CB 4.14Å; I80-C124 HydrophobicContact CG1-CB 4.19Å; I80-L125 HydrophobicContact CG1-CD1 4.18Å; I80-V128 HydrophobicContact CG2-CG2 4.12Å; I80-I177 HydrophobicContact CG2-CD1 4.38Å
81	F	74.8	Confident	74.7	Confident	20 Å²	20	56.6 Å²	56.6	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-37.5	177.8	-73.9	-117.8	0	0	0	111.2	L78 G79 V84 E85 V128 D173 I177	L78-F81 HydrophobicContact CB-CD2 4.3Å; L78-F81 HydrophobicContact CB-CE2 4.33Å; L78-F81 HydrophobicContact CD2-CD2 4.15Å; L78-F81 HydrophobicContact CD2-CE2 3.36Å; L78-F81 HydrophobicContact CD2-CZ 3.76Å; L78-F81 HydrophobicContact CG-CE2 4.45Å; L78-F81 WeakPolarHBondContact O-CB 3.44Å; L78-F81 WeakPolarHBondContact O-CD2 3.41Å; L78-F81 WeakPolarHBondContact O-CG 3.49Å; L78-F81 PolarHBondContact O-N 2.86Å; G79-F81 PolarHBondContact O-N 2.91Å; F81-V84 PolarHBondContact O-N 3.3Å; F81-E85 WeakPolarHBondContact O-CB 3.42Å; F81-E85 WeakPolarHBondContact O-CG 3.45Å; F81-E85 PolarHBondContact O-N 3.26Å; F81-V128 HydrophobicContact CE2-CG1 4.11Å; F81-V128 HydrophobicContact CE2-CG2 4.24Å; F81-V128 HydrophobicContact CZ-CG1 4.38Å; F81-D173 HydrophobicContact CE1-CB 3.63Å; F81-D173 WeakPolarHBondContact CE1-O 3.28Å; F81-D173 HydrophobicContact CZ-CB 4Å; F81-I177 HydrophobicContact CB-CD1 4.2Å; F81-I177 HydrophobicContact CD1-CD1 3.37Å; F81-I177 HydrophobicContact CD1-CG1 3.43Å; F81-I177 VanDerWaalsContact CD1-CG1 3.43Å; F81-I177 HydrophobicContact CD2-CD1 3.28Å; F81-I177 HydrophobicContact CD2-CG1 4.29Å; F81-I177 HydrophobicContact CE1-CB 4.25Å; F81-I177 HydrophobicContact CE1-CD1 3.35Å; F81-I177 HydrophobicContact CE1-CG1 3.37Å; F81-I177 HydrophobicContact CE2-CD1 3.26Å; F81-I177 HydrophobicContact CE2-CG1 4.24Å; F81-I177 HydrophobicContact CG-CD1 3.35Å; F81-I177 HydrophobicContact CG-CG1 3.92Å; F81-I177 HydrophobicContact CZ-CB 4.5Å; F81-I177 HydrophobicContact CZ-CD1 3.3Å; F81-I177 HydrophobicContact CZ-CG1 3.81Å
82	T	77.9	Confident	74.3	Confident	82 Å²	82	49.8 Å²	49.8	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-47.8	-176.1	-46.7	0	0	0	0	112.7	G79 I80 V84 Y86	G79-T82 PolarHBondContact O-N 3.08Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 3.49Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.03Å; T82-Y86 WeakPolarHBondContact O-CB 3.34Å; T82-Y86 PolarHBondContact O-N 3.46Å
83	P	78	Confident	74.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-40.2	170.4	-24.7	31.1	0	0	0	114.1	F65 L68 L69 V72 G79 I80 Y86 M87	F65-P83 HydrophobicContact CD2-CB 4.02Å; F65-P83 HydrophobicContact CE2-CB 3.62Å; L68-P83 HydrophobicContact CB-CG 4.24Å; L69-P83 HydrophobicContact CD1-CG 4.44Å; V72-P83 HydrophobicContact CG2-CG 3.9Å; G79-P83 VanDerWaalsContact O-CD 3.23Å; G79-P83 WeakPolarHBondContact O-CD 3.47Å; I80-P83 WeakPolarHBondContact O-CD 3.49Å; P83-Y86 PolarHBondContact O-N 3.08Å; P83-M87 WeakPolarHBondContact O-CG 3.3Å; P83-M87 PolarHBondContact O-N 3.11Å
84	V	76.6	Confident	73.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-43.7	-179.1	175.6	0	0	0	0	111.6	I80 F81 T82 Y86 M87 Y88 F121 L180 L181	I80-V84 WeakPolarHBondContact O-CG2 3.46Å; I80-V84 PolarHBondContact O-N 3.47Å; F81-V84 PolarHBondContact O-N 3.3Å; T82-V84 VanDerWaalsContact C-N 3.35Å; T82-V84 PolarHBondContact O-N 3.03Å; V84-Y86 VanDerWaalsContact C-N 3.29Å; V84-Y86 PolarHBondContact O-N 2.84Å; V84-M87 HydrophobicContact CB-CE 4.39Å; V84-M87 HydrophobicContact CG2-CE 4.09Å; V84-M87 PolarHBondContact O-N 3.31Å; V84-Y88 PolarHBondContact O-N 2.92Å; V84-F121 HydrophobicContact CG2-CE2 4.09Å; V84-F121 HydrophobicContact CG2-CZ 4.29Å; V84-L180 HydrophobicContact CG1-CB 4.19Å; V84-L181 HydrophobicContact CG1-CD2 3.8Å; V84-L181 HydrophobicContact CG1-CG 4.06Å; V84-L181 HydrophobicContact CG2-CD2 4.4Å
85	E	80.4	Confident	73.4	Confident	39 Å²	39	52.3 Å²	52.3	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-36.1	173.8	-76.3	-169.1	177.5	0	0	112.3	F81 Y88 K89 R176 L180	F81-E85 WeakPolarHBondContact O-CB 3.42Å; F81-E85 WeakPolarHBondContact O-CG 3.45Å; F81-E85 PolarHBondContact O-N 3.26Å; E85-Y88 PolarHBondContact O-N 3.27Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.24Å; E85-K89 PolarHBondContact O-N 3.27Å; E85-K89 IonicContact OE2-NZ 3.74Å; E85-R176 IonicContact OE1-CZ 3.77Å; E85-R176 IonicContact OE1-NE 3.94Å; E85-R176 IonicContact OE1-NH1 2.69Å; E85-R176 PolarHBondContact OE1-NH1 3.09Å; E85-R176 IonicContact OE1-NH2 3.29Å; E85-R176 PolarHBondContact OE1-NH2 2.88Å; E85-R176 IonicContact OE2-NH2 3.96Å; E85-L180 HydrophobicContact CG-CD1 3.83Å
86	Y	81.2	Confident	73	Confident	38 Å²	38	48.3 Å²	48.3	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-45.7	175.2	176.6	-95.1	0	0	0	111.3	M61 Q64 L68 T82 P83 V84 Y88 K89 K90	M61-Y86 HydrophobicContact CE-CE1 4.43Å; M61-Y86 HydrophobicContact CG-CE1 3.73Å; Q64-Y86 HydrophobicContact CB-CE1 4.22Å; Q64-Y86 PolarHBondContact OE1-OH 3.37Å; L68-Y86 HydrophobicContact CD1-CD1 4.09Å; L68-Y86 HydrophobicContact CD1-CD2 3.92Å; L68-Y86 HydrophobicContact CD1-CG 3.65Å; T82-Y86 WeakPolarHBondContact O-CB 3.34Å; T82-Y86 PolarHBondContact O-N 3.46Å; P83-Y86 PolarHBondContact O-N 3.08Å; V84-Y86 VanDerWaalsContact C-N 3.29Å; V84-Y86 PolarHBondContact O-N 2.84Å; Y86-Y88 VanDerWaalsContact C-N 3.34Å; Y86-Y88 PolarHBondContact O-N 2.61Å; Y86-K89 PolarHBondContact O-N 3.3Å; Y86-K90 HydrophobicContact CE1-CG 4.24Å; Y86-K90 HydrophobicContact CE2-CG 4.2Å; Y86-K90 WeakPolarHBondContact O-CG 3.4Å; Y86-K90 PolarHBondContact O-N 2.95Å
87	M	77.6	Confident	72.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57	-49.2	174.1	-70.7	-170.5	-67.4	0	0	111.2	M61 F65 P83 V84 K90 I91 I109 L113 L184 L186	M61-M87 HydrophobicContact CE-CB 4.28Å; M61-M87 HydrophobicContact CE-CG 4.28Å; F65-M87 HydrophobicContact CD2-CG 3.7Å; F65-M87 HydrophobicContact CD2-SD 3.92Å; F65-M87 HydrophobicContact CE2-CE 3.67Å; F65-M87 HydrophobicContact CE2-CG 3.81Å; F65-M87 HydrophobicContact CE2-SD 3.5Å; F65-M87 WeakPolarHBondContact CE2-SD 3.17Å; F65-M87 HydrophobicContact CZ-CE 4.19Å; F65-M87 HydrophobicContact CZ-SD 3.99Å; P83-M87 WeakPolarHBondContact O-CG 3.3Å; P83-M87 PolarHBondContact O-N 3.11Å; V84-M87 HydrophobicContact CB-CE 4.39Å; V84-M87 HydrophobicContact CG2-CE 4.09Å; V84-M87 PolarHBondContact O-N 3.31Å; M87-K90 PolarHBondContact O-N 3.24Å; M87-I91 WeakPolarHBondContact O-CB 3.35Å; M87-I91 WeakPolarHBondContact O-CG1 3.4Å; M87-I91 PolarHBondContact O-N 3.36Å; M87-I91 VanDerWaalsContact O-N 3.1Å; M87-I109 HydrophobicContact SD-CG2 4.23Å; M87-L113 HydrophobicContact SD-CD1 4.26Å; M87-L184 HydrophobicContact CB-CD1 4Å; M87-L186 HydrophobicContact CE-CD1 4.42Å
88	Y	77.7	Confident	71.2	Confident	69 Å²	69	58.5 Å²	58.5	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-48.5	178.8	-179.1	-97.2	0	0	0	112.5	V84 E85 Y86 K90 I91 S92 L180 C183 L184	V84-Y88 PolarHBondContact O-N 2.92Å; E85-Y88 PolarHBondContact O-N 3.27Å; Y86-Y88 VanDerWaalsContact C-N 3.34Å; Y86-Y88 PolarHBondContact O-N 2.61Å; Y88-K90 PolarHBondContact O-N 3.26Å; Y88-I91 PolarHBondContact O-N 3.29Å; Y88-S92 WeakPolarHBondContact O-CA 3.38Å; Y88-S92 WeakPolarHBondContact O-CB 3.43Å; Y88-S92 PolarHBondContact O-N 3.43Å; Y88-L180 HydrophobicContact CD1-CD2 3.49Å; Y88-L180 VanDerWaalsContact CD1-CD2 3.49Å; Y88-L180 HydrophobicContact CD2-CD2 3.73Å; Y88-L180 HydrophobicContact CE1-CD2 3.9Å; Y88-L180 HydrophobicContact CE2-CD2 4.12Å; Y88-L180 HydrophobicContact CG-CD2 3.39Å; Y88-C183 HydrophobicContact CD2-CB 4.06Å; Y88-C183 HydrophobicContact CE2-CB 3.58Å; Y88-L184 HydrophobicContact CD2-CG 4.44Å
89	K	80.2	Confident	70.2	Confident	142 Å²	142	57.5 Å²	57.5	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-32.2	-178.6	-79.2	175.5	179.9	166.9	0	113.2	E85 Y86 P93	E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.24Å; E85-K89 PolarHBondContact O-N 3.27Å; E85-K89 IonicContact OE2-NZ 3.74Å; Y86-K89 PolarHBondContact O-N 3.3Å; K89-P93 VanDerWaalsContact O-CD 3.31Å; K89-P93 WeakPolarHBondContact O-CD 3.34Å
90	K	78.2	Confident	69.3	Low	96 Å²	96	63.8 Å²	63.8	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-81.4	-33.8	179.3	-70.8	-66.9	-173.6	178.5	0	113.2	M61 Y86 M87 Y88	M61-K90 HydrophobicContact CE-CB 3.57Å; M61-K90 HydrophobicContact CE-CG 4.17Å; M61-K90 HydrophobicContact CG-CG 4.48Å; M61-K90 HydrophobicContact SD-CB 3.76Å; M61-K90 HydrophobicContact SD-CG 4.3Å; Y86-K90 HydrophobicContact CE1-CG 4.24Å; Y86-K90 HydrophobicContact CE2-CG 4.2Å; Y86-K90 WeakPolarHBondContact O-CG 3.4Å; Y86-K90 PolarHBondContact O-N 2.95Å; M87-K90 PolarHBondContact O-N 3.24Å; Y88-K90 PolarHBondContact O-N 3.26Å
91	I	74.5	Confident	68.4	Low	2 Å²	2	64.6 Å²	64.6	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-94.2	-32.9	-174.6	-62.4	172.7	0	0	0	111.9	L57 M61 M87 Y88 L94 L95 I105 I109 L184	L57-I91 HydrophobicContact CD2-CD1 4.34Å; M61-I91 HydrophobicContact CE-CD1 3.93Å; M61-I91 HydrophobicContact CE-CG1 3.95Å; M61-I91 HydrophobicContact SD-CG1 4.46Å; M87-I91 WeakPolarHBondContact O-CB 3.35Å; M87-I91 WeakPolarHBondContact O-CG1 3.4Å; M87-I91 PolarHBondContact O-N 3.36Å; M87-I91 VanDerWaalsContact O-N 3.1Å; Y88-I91 PolarHBondContact O-N 3.29Å; I91-L94 WeakPolarHBondContact O-CB 3.47Å; I91-L94 PolarHBondContact O-N 3.07Å; I91-L95 HydrophobicContact CG2-CD1 4.15Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; I91-I105 HydrophobicContact CG2-CG2 4.06Å; I91-I109 HydrophobicContact CD1-CD1 3.65Å; I91-I109 HydrophobicContact CD1-CG1 3.99Å; I91-L184 HydrophobicContact CB-CD2 4.03Å; I91-L184 HydrophobicContact CD1-CD2 4.05Å; I91-L184 HydrophobicContact CG2-CD2 4.1Å
92	S	71.7	Confident	67.9	Low	36 Å²	36	69.7 Å²	69.7	25%	0.252	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-50.8	-41.8	-179.7	175	0	0	0	0	114.8	Y88 L94 L95	Y88-S92 WeakPolarHBondContact O-CA 3.38Å; Y88-S92 WeakPolarHBondContact O-CB 3.43Å; Y88-S92 PolarHBondContact O-N 3.43Å; S92-L94 PolarHBondContact O-N 2.92Å; S92-L94 VanDerWaalsContact O-N 3.13Å; S92-L95 PolarHBondContact O-N 3.26Å; S92-L95 VanDerWaalsContact O-N 3.09Å
93	P	71.1	Confident	67.2	Low	99 Å²	99	69 Å²	69	64%	0.643	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.6	-18.8	178.3	-21.4	33	0	0	0	114.4	K89	K89-P93 VanDerWaalsContact O-CD 3.31Å; K89-P93 WeakPolarHBondContact O-CD 3.34Å
94	L	65.4	Low	66.6	Low	41 Å²	41	72 Å²	72	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-93	-12	179.5	-60	173.7	0	0	0	112.6	V53 L56 I91 S92 T96	V53-L94 HydrophobicContact CG2-CB 4.43Å; V53-L94 HydrophobicContact CG2-CD1 3.88Å; L56-L94 HydrophobicContact CD1-CD1 3.34Å; I91-L94 WeakPolarHBondContact O-CB 3.47Å; I91-L94 PolarHBondContact O-N 3.07Å; S92-L94 PolarHBondContact O-N 2.92Å; S92-L94 VanDerWaalsContact O-N 3.13Å; L94-T96 PolarHBondContact O-N 3.29Å
95	L	61.8	Low	66.2	Low	47 Å²	47	72.2 Å²	72.2	25%	0.246	34%	0.339	C	S	.	.			trans	-89	102.4	179	-66.8	171	0	0	0	109.3	I91 S92 I105	I91-L95 HydrophobicContact CG2-CD1 4.15Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; S92-L95 PolarHBondContact O-N 3.26Å; S92-L95 VanDerWaalsContact O-N 3.09Å; L95-I105 HydrophobicContact CD2-CD1 3.32Å
96	T	55.5	Low	65.7	Low	83 Å²	83	70.3 Å²	70.3	51%	0.509	33%	0.331	S	S	.	.			trans	-103.4	154.7	172.6	52.8	0	0	0	0	110.8	L94 E98 T99	L94-T96 PolarHBondContact O-N 3.29Å; T96-E98 PolarHBondContact O-N 3.42Å; T96-T99 PolarHBondContact O-N 3Å; T96-T99 PolarHBondContact O-OG1 2.66Å; T96-T99 VanDerWaalsContact O-OG1 3.05Å
97	K	52.3	Low	65.2	Low	226 Å²	226	70.8 Å²	70.8	98%	0.983	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.2	-177.2	-78.7	-174.2	176.3	-177.3	0	114.3
98	E	45.2	Very low	64.8	Low	143 Å²	143	71.9 Å²	71.9	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-13	-176.9	-65	-179.1	174	0	0	113.8	R45 T96	R45-E98 IonicContact NH1-OE2 2.69Å; R45-E98 PolarHBondContact NH1-OE2 3.43Å; T96-E98 PolarHBondContact O-N 3.42Å
99	T	49	Very low	64.6	Low	16 Å²	16	68.6 Å²	68.6	10%	0.098	34%	0.335	C	S	.	.			trans	-105.4	96.6	-174.4	54.5	0	0	0	0	111.5	I46 T96 T101	I46-T99 HydrophobicContact CG1-CG2 4Å; T96-T99 PolarHBondContact O-N 3Å; T96-T99 PolarHBondContact O-OG1 2.66Å; T96-T99 VanDerWaalsContact O-OG1 3.05Å; T99-T101 PolarHBondContact O-N 3.06Å
100	F	51.7	Low	64.3	Low	160 Å²	160	63.5 Å²	63.5	70%	0.702	32%	0.316	S	S	*	.			trans	-72	68.9	172.7	-137.5	-87.2	0	0	0	110.3	E247	F100-E247 VanDerWaalsContact CE1-CD 3.45Å; F100-E247 HydrophobicContact CE1-CG 4.01Å; F100-E247 WeakPolarHBondContact CE1-OE1 3.3Å; F100-E247 HydrophobicContact CZ-CB 4.07Å; F100-E247 HydrophobicContact CZ-CG 3.78Å
101	T	56.7	Low	64	Low	17 Å²	17	60.9 Å²	60.9	10%	0.104	32%	0.317	C	S	.	.			trans	-140.3	33.5	-176.7	56.6	0	0	0	0	113.9	I46 T99 I105	I46-T101 HydrophobicContact CG2-CG2 3.87Å; T99-T101 PolarHBondContact O-N 3.06Å; T101-I105 WeakPolarHBondContact O-CG1 3.14Å; T101-I105 PolarHBondContact O-N 3Å; T101-I105 VanDerWaalsContact O-N 3.16Å
102	R	62.5	Low	63.9	Low	128 Å²	128	64.3 Å²	64.3	48%	0.483	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-43.7	178.2	-70	-177.9	-177.6	168.2	1.5	112	I105 G106	R102-I105 PolarHBondContact O-N 3.26Å; R102-G106 PolarHBondContact O-N 2.99Å
103	E	63	Low	63.9	Low	66 Å²	66	62.7 Å²	62.7	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-38.7	-179.2	-62.4	-168.9	150.1	0	0	112.2	F24 G106 A107 K188	F24-E103 HydrophobicContact CE1-CB 4.29Å; E103-G106 PolarHBondContact O-N 2.93Å; E103-A107 PolarHBondContact O-N 3.43Å; E103-K188 IonicContact OE1-NZ 3.97Å; E103-K188 PolarHBondContact OE1-NZ 3.08Å; E103-K188 VanDerWaalsContact OE1-NZ 3.09Å
104	Y	66.3	Low	64	Low	64 Å²	64	58.1 Å²	58.1	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-43.7	174.4	179.1	-93.3	0	0	0	112.5	K50 E54 G106 A107 L108	K50-Y104 HydrophobicContact CB-CE1 3.91Å; K50-Y104 HydrophobicContact CD-CD1 3.96Å; K50-Y104 HydrophobicContact CD-CE1 3.42Å; K50-Y104 VanDerWaalsContact CD-CE1 3.42Å; K50-Y104 HydrophobicContact CD-CE2 4.23Å; K50-Y104 HydrophobicContact CG-CD1 3.86Å; K50-Y104 HydrophobicContact CG-CE1 3.36Å; E54-Y104 PolarHBondContact OE1-OH 2.99Å; Y104-G106 VanDerWaalsContact C-N 3.33Å; Y104-A107 PolarHBondContact O-N 3.41Å; Y104-L108 HydrophobicContact CD1-CD1 3.86Å; Y104-L108 HydrophobicContact CD1-CG 4.3Å; Y104-L108 HydrophobicContact CE1-CD1 3.18Å; Y104-L108 HydrophobicContact CE1-CG 3.79Å; Y104-L108 PolarHBondContact O-N 2.98Å
105	I	68.8	Low	64.2	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-39.2	178	-69.2	169.8	0	0	0	110.5	V53 I91 L95 T101 R102 L108 I109	V53-I105 HydrophobicContact CG1-CG2 4.49Å; I91-I105 HydrophobicContact CG2-CG2 4.06Å; L95-I105 HydrophobicContact CD2-CD1 3.32Å; T101-I105 WeakPolarHBondContact O-CG1 3.14Å; T101-I105 PolarHBondContact O-N 3Å; T101-I105 VanDerWaalsContact O-N 3.16Å; R102-I105 PolarHBondContact O-N 3.26Å; I105-L108 PolarHBondContact O-N 3.33Å; I105-I109 HydrophobicContact CG2-CD1 3.89Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 VanDerWaalsContact O-CG1 3.27Å; I105-I109 WeakPolarHBondContact O-CG1 3.26Å; I105-I109 PolarHBondContact O-N 3.48Å
106	G	69.5	Low	64.4	Low	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-48.6	171.3	0	0	0	0	0	112	R102 E103 Y104 L108 I109 V110 L184 L186	R102-G106 PolarHBondContact O-N 2.99Å; E103-G106 PolarHBondContact O-N 2.93Å; Y104-G106 VanDerWaalsContact C-N 3.33Å; G106-L108 PolarHBondContact O-N 3.33Å; G106-I109 PolarHBondContact O-N 2.95Å; G106-V110 WeakPolarHBondContact O-CG2 3.29Å; G106-V110 PolarHBondContact O-N 2.98Å; G106-L184 VanDerWaalsContact CA-O 3.28Å; G106-L184 WeakPolarHBondContact CA-O 3.42Å; G106-L184 PolarHBondContact N-O 3.43Å; G106-L186 WeakPolarHBondContact O-CD2 3.14Å
107	A	69.6	Low	65	Low	48 Å²	48	63.5 Å²	63.5	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-41.3	177.4	0	0	0	0	0	112.7	E103 Y104 V110 G111	E103-A107 PolarHBondContact O-N 3.43Å; Y104-A107 PolarHBondContact O-N 3.41Å; A107-V110 PolarHBondContact O-N 3.11Å; A107-G111 PolarHBondContact O-N 3.17Å
108	L	70.8	Confident	66.2	Low	23 Å²	23	54 Å²	54	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-42.7	174.3	-80.1	179.8	0	0	0	112.7	V53 E54 L57 Y104 I105 G106 G111 K112	V53-L108 HydrophobicContact CG1-CD1 4.34Å; E54-L108 HydrophobicContact CG-CD1 3.74Å; E54-L108 HydrophobicContact CG-CD2 3.91Å; L57-L108 HydrophobicContact CD1-CB 3.96Å; Y104-L108 HydrophobicContact CD1-CD1 3.86Å; Y104-L108 HydrophobicContact CD1-CG 4.3Å; Y104-L108 HydrophobicContact CE1-CD1 3.18Å; Y104-L108 HydrophobicContact CE1-CG 3.79Å; Y104-L108 PolarHBondContact O-N 2.98Å; I105-L108 PolarHBondContact O-N 3.33Å; G106-L108 PolarHBondContact O-N 3.33Å; L108-G111 PolarHBondContact O-N 3.26Å; L108-K112 VanDerWaalsContact O-CB 3.27Å; L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 WeakPolarHBondContact O-CG 3.34Å; L108-K112 PolarHBondContact O-N 3.36Å
109	I	73.1	Confident	67.4	Low	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-44.8	176.4	-66.4	162	0	0	0	110.1	L57 M87 I91 I105 G106 L113 L114 L184 L186	L57-I109 HydrophobicContact CD1-CG1 4.28Å; L57-I109 HydrophobicContact CD2-CG1 4.18Å; M87-I109 HydrophobicContact SD-CG2 4.23Å; I91-I109 HydrophobicContact CD1-CD1 3.65Å; I91-I109 HydrophobicContact CD1-CG1 3.99Å; I105-I109 HydrophobicContact CG2-CD1 3.89Å; I105-I109 HydrophobicContact CG2-CG1 4.46Å; I105-I109 VanDerWaalsContact O-CG1 3.27Å; I105-I109 WeakPolarHBondContact O-CG1 3.26Å; I105-I109 PolarHBondContact O-N 3.48Å; G106-I109 PolarHBondContact O-N 2.95Å; I109-L113 HydrophobicContact CG2-CB 4.34Å; I109-L113 HydrophobicContact CG2-CD1 4.05Å; I109-L113 WeakPolarHBondContact O-CB 3.35Å; I109-L113 PolarHBondContact O-N 3.12Å; I109-L114 HydrophobicContact CG2-CD1 4.06Å; I109-L114 HydrophobicContact CG2-CG 4.47Å; I109-L114 PolarHBondContact O-N 2.88Å; I109-L184 HydrophobicContact CD1-CB 4.28Å; I109-L184 HydrophobicContact CD1-CD2 4.11Å; I109-L186 HydrophobicContact CB-CD1 4.42Å; I109-L186 HydrophobicContact CB-CD2 3.99Å; I109-L186 HydrophobicContact CD1-CD1 4.16Å; I109-L186 HydrophobicContact CD1-CG 4.38Å; I109-L186 HydrophobicContact CG2-CD1 3.74Å; I109-L186 HydrophobicContact CG2-CD2 3.9Å; I109-L186 HydrophobicContact CG2-CG 4.35Å
110	V	72.8	Confident	68.6	Low	34 Å²	34	57.6 Å²	57.6	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-52.5	176.3	175.8	0	0	0	0	110.4	G106 A107 K112 L114 D115 L186 P189 I190	G106-V110 WeakPolarHBondContact O-CG2 3.29Å; G106-V110 PolarHBondContact O-N 2.98Å; A107-V110 PolarHBondContact O-N 3.11Å; V110-K112 PolarHBondContact O-N 3.48Å; V110-L114 CarbonylContact O-C 3.17Å; V110-L114 WeakPolarHBondContact O-CA 3.35Å; V110-L114 PolarHBondContact O-N 3.35Å; V110-L114 VanDerWaalsContact O-N 3.15Å; V110-D115 WeakPolarHBondContact O-CB 3.28Å; V110-D115 PolarHBondContact O-N 2.99Å; V110-L186 HydrophobicContact CG2-CD2 3.65Å; V110-P189 HydrophobicContact CG2-CB 4.05Å; V110-P189 HydrophobicContact CG2-CG 4.48Å; V110-I190 HydrophobicContact CG2-CD1 4.36Å; V110-I190 HydrophobicContact CG2-CG1 4.38Å
111	G	72.2	Confident	69.7	Low	42 Å²	42	50 Å²	50	43%	0.433	27%	0.268	S	S	.	.	H	α-helix	trans	-69	-29.2	-176.4	0	0	0	0	0	115.4	A107 L108	A107-G111 PolarHBondContact O-N 3.17Å; L108-G111 PolarHBondContact O-N 3.26Å
112	K	72.7	Confident	70.5	Confident	73 Å²	73	51.6 Å²	51.6	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-102.3	-33.7	-174.2	-67.4	-68.5	-161.5	139.9	0	114.8	L57 D58 K62 L108 V110	L57-K112 HydrophobicContact CB-CB 4.3Å; D58-K112 VanDerWaalsContact CG-NZ 3.26Å; D58-K112 WeakPolarHBondContact OD1-CD 3.37Å; D58-K112 IonicContact OD1-NZ 2.74Å; D58-K112 PolarHBondContact OD1-NZ 3.19Å; D58-K112 IonicContact OD2-NZ 3.86Å; D58-K112 PolarHBondContact OD2-NZ 3.41Å; K62-K112 WeakPolarHBondContact CE-O 3.37Å; K62-K112 PolarHBondContact NZ-O 3.18Å; L108-K112 VanDerWaalsContact O-CB 3.27Å; L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 WeakPolarHBondContact O-CG 3.34Å; L108-K112 PolarHBondContact O-N 3.36Å; V110-K112 PolarHBondContact O-N 3.48Å
113	L	72.4	Confident	71	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-106.4	-29.4	-177.3	-73	173.8	0	0	0	113.5	L57 K62 F65 H66 M87 I109	L57-L113 HydrophobicContact CD2-CD1 3.32Å; L57-L113 HydrophobicContact CD2-CG 3.86Å; K62-L113 HydrophobicContact CB-CD2 3.74Å; K62-L113 HydrophobicContact CD-CD2 4.43Å; K62-L113 HydrophobicContact CG-CD2 3.83Å; F65-L113 HydrophobicContact CB-CD2 4.48Å; F65-L113 HydrophobicContact CD1-CD2 4.3Å; H66-L113 PolarHBondContact CE1-O 3.33Å; M87-L113 HydrophobicContact SD-CD1 4.26Å; I109-L113 HydrophobicContact CG2-CB 4.34Å; I109-L113 HydrophobicContact CG2-CD1 4.05Å; I109-L113 WeakPolarHBondContact O-CB 3.35Å; I109-L113 PolarHBondContact O-N 3.12Å
114	L	72	Confident	71.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	-122	13.8	-169	-53.2	169.8	0	0	0	113.2	F65 I109 V110 P116 M117 F121 I190	F65-L114 HydrophobicContact CE1-CD2 3.85Å; F65-L114 HydrophobicContact CZ-CD2 3.89Å; I109-L114 HydrophobicContact CG2-CD1 4.06Å; I109-L114 HydrophobicContact CG2-CG 4.47Å; I109-L114 PolarHBondContact O-N 2.88Å; V110-L114 CarbonylContact O-C 3.17Å; V110-L114 WeakPolarHBondContact O-CA 3.35Å; V110-L114 PolarHBondContact O-N 3.35Å; V110-L114 VanDerWaalsContact O-N 3.15Å; L114-P116 CarbonylContact O-C 3.16Å; L114-M117 HydrophobicContact CB-CE 3.65Å; L114-M117 HydrophobicContact CD1-CE 4.16Å; L114-M117 HydrophobicContact CG-CE 4.44Å; L114-M117 WeakPolarHBondContact O-CA 3.44Å; L114-M117 WeakPolarHBondContact O-CB 3.37Å; L114-M117 PolarHBondContact O-N 3.05Å; L114-F121 HydrophobicContact CD2-CD1 4.48Å; L114-I190 HydrophobicContact CD1-CD1 3.37Å
115	D	71.2	Confident	71.9	Confident	120 Å²	120	41.1 Å²	41.1	64%	0.642	24%	0.238	S	C	*	.	S	Bend	trans	-118.3	113.8	173.2	-167.7	15.1	0	0	0	110	V110	V110-D115 WeakPolarHBondContact O-CB 3.28Å; V110-D115 PolarHBondContact O-N 2.99Å
116	P	65.4	Low	72	Confident	113 Å²	113	42.7 Å²	42.7	73%	0.734	25%	0.246	S	C	*	.	S	Bend	cis	-71.6	147.8	-1.9	29.7	-33.8	0	0	0	112.8	L114 P118	L114-P116 CarbonylContact O-C 3.16Å; P116-P118 VanDerWaalsContact O-CD 3.31Å; P116-P118 WeakPolarHBondContact O-CD 3.36Å
117	M	68.9	Low	72.2	Confident	52 Å²	52	46.3 Å²	46.3	26%	0.256	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-63.8	120	-174.2	-168.5	144.4	-79.1	0	0	111.7	L114 D119 L122 I190	L114-M117 HydrophobicContact CB-CE 3.65Å; L114-M117 HydrophobicContact CD1-CE 4.16Å; L114-M117 HydrophobicContact CG-CE 4.44Å; L114-M117 WeakPolarHBondContact O-CA 3.44Å; L114-M117 WeakPolarHBondContact O-CB 3.37Å; L114-M117 PolarHBondContact O-N 3.05Å; M117-D119 PolarHBondContact O-N 3.45Å; M117-L122 HydrophobicContact SD-CD1 3.99Å; M117-I190 HydrophobicContact CE-CD1 3.83Å; M117-I190 HydrophobicContact CE-CG1 3.9Å; M117-I190 HydrophobicContact CE-CG2 4.45Å; M117-I190 HydrophobicContact SD-CG2 4.28Å
118	P	75.8	Confident	72.4	Confident	25 Å²	25	44.2 Å²	44.2	16%	0.162	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.8	122.4	-176.8	-24.3	34	0	0	0	112.1	L69 P116 K120 F121 L122	L69-P118 HydrophobicContact CD2-CB 3.59Å; L69-P118 HydrophobicContact CD2-CG 3.91Å; P116-P118 VanDerWaalsContact O-CD 3.31Å; P116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-K120 VanDerWaalsContact C-N 3.25Å; P118-K120 PolarHBondContact O-N 3.4Å; P118-K120 VanDerWaalsContact O-N 3.16Å; P118-F121 HydrophobicContact CB-CB 4.05Å; P118-F121 WeakPolarHBondContact O-CA 3.48Å; P118-F121 VanDerWaalsContact O-CB 3.29Å; P118-F121 WeakPolarHBondContact O-CB 3.44Å; P118-F121 PolarHBondContact O-N 3.3Å; P118-L122 PolarHBondContact O-N 3.28Å
119	D	70.7	Confident	72.6	Confident	135 Å²	135	43.3 Å²	43.3	72%	0.722	24%	0.239	S	C	*	.	H	α-helix	trans	-53	-40.5	-178.2	-76.7	-26.6	0	0	0	113.6	M117 F121 C123	M117-D119 PolarHBondContact O-N 3.45Å; D119-F121 VanDerWaalsContact C-N 3.3Å; D119-F121 PolarHBondContact O-N 3.25Å; D119-C123 WeakPolarHBondContact O-CB 3.32Å; D119-C123 PolarHBondContact O-N 3.47Å
120	K	74.4	Confident	72.4	Confident	100 Å²	100	45.2 Å²	45.2	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-38.3	177.3	-77.8	-174.3	178.5	-179.9	0	111.8	P118 C124	P118-K120 VanDerWaalsContact C-N 3.25Å; P118-K120 PolarHBondContact O-N 3.4Å; P118-K120 VanDerWaalsContact O-N 3.16Å; K120-C124 WeakPolarHBondContact O-CB 3.39Å; K120-C124 PolarHBondContact O-N 2.96Å; K120-C124 PolarHBondContact O-SG 3.35Å
121	F	75.6	Confident	72.2	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-53.6	-179.7	-174.8	-96.3	0	0	0	109.8	F65 L69 I80 V84 L114 P118 D119 C123 C124 L125 I190	F65-F121 HydrophobicContact CZ-CD2 4.25Å; F65-F121 HydrophobicContact CZ-CE2 4.23Å; L69-F121 HydrophobicContact CD1-CB 3.97Å; L69-F121 HydrophobicContact CD1-CD2 3.83Å; L69-F121 HydrophobicContact CD1-CG 4.41Å; L69-F121 HydrophobicContact CD2-CB 4.09Å; I80-F121 HydrophobicContact CD1-CD2 3.5Å; I80-F121 VanDerWaalsContact CD1-CD2 3.5Å; I80-F121 HydrophobicContact CD1-CE2 3.97Å; I80-F121 HydrophobicContact CD1-CG 4.25Å; I80-F121 HydrophobicContact CG1-CD2 4.08Å; I80-F121 HydrophobicContact CG1-CE2 4.11Å; V84-F121 HydrophobicContact CG2-CE2 4.09Å; V84-F121 HydrophobicContact CG2-CZ 4.29Å; L114-F121 HydrophobicContact CD2-CD1 4.48Å; P118-F121 HydrophobicContact CB-CB 4.05Å; P118-F121 WeakPolarHBondContact O-CA 3.48Å; P118-F121 VanDerWaalsContact O-CB 3.29Å; P118-F121 WeakPolarHBondContact O-CB 3.44Å; P118-F121 PolarHBondContact O-N 3.3Å; D119-F121 VanDerWaalsContact C-N 3.3Å; D119-F121 PolarHBondContact O-N 3.25Å; F121-C123 PolarHBondContact O-N 3.01Å; F121-C124 PolarHBondContact O-N 3.08Å; F121-L125 HydrophobicContact CE1-CD1 4.11Å; F121-L125 HydrophobicContact CZ-CD1 4.02Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.03Å; F121-I190 HydrophobicContact CE1-CD1 4.47Å; F121-I190 HydrophobicContact CE1-CG2 4.35Å
122	L	73	Confident	72.1	Confident	50 Å²	50	42.3 Å²	42.3	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-42.3	179.7	-161.2	74.6	0	0	0	112.6	M117 P118 L125 N126 C194	M117-L122 HydrophobicContact SD-CD1 3.99Å; P118-L122 PolarHBondContact O-N 3.28Å; L122-L125 PolarHBondContact O-N 2.98Å; L122-N126 WeakPolarHBondContact O-CB 3.42Å; L122-N126 PolarHBondContact O-N 3.43Å; L122-N126 PolarHBondContact O-ND2 3.49Å; L122-C194 WeakPolarHBondContact CD1-SG 3.49Å
123	C	72.9	Confident	72	Confident	35 Å²	35	39 Å²	39	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-46	178.9	-177.7	0	0	0	0	112.2	D119 F121 K127	D119-C123 WeakPolarHBondContact O-CB 3.32Å; D119-C123 PolarHBondContact O-N 3.47Å; F121-C123 PolarHBondContact O-N 3.01Å; C123-K127 WeakPolarHBondContact O-CG 3.47Å; C123-K127 PolarHBondContact O-N 3.47Å; C123-K127 VanDerWaalsContact O-N 3.09Å
124	C	72.9	Confident	71.7	Confident	1 Å²	1	42 Å²	42	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-42.2	178.2	-64.2	0	0	0	0	111.1	P77 I80 K120 F121 K127 V128	P77-C124 HydrophobicContact CB-CB 4.3Å; I80-C124 HydrophobicContact CB-CB 4.07Å; I80-C124 HydrophobicContact CD1-CB 4.14Å; I80-C124 HydrophobicContact CG1-CB 4.19Å; K120-C124 WeakPolarHBondContact O-CB 3.39Å; K120-C124 PolarHBondContact O-N 2.96Å; K120-C124 PolarHBondContact O-SG 3.35Å; F121-C124 PolarHBondContact O-N 3.08Å; C124-K127 PolarHBondContact O-N 3.31Å; C124-V128 WeakPolarHBondContact O-CG2 3.48Å; C124-V128 PolarHBondContact O-N 3.44Å
125	L	74.8	Confident	71.3	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-53.4	176	-137.1	87.7	0	0	0	110.7	I80 F121 L122 K127 V128 Y129 I190 L191	I80-L125 HydrophobicContact CG1-CD1 4.18Å; F121-L125 HydrophobicContact CE1-CD1 4.11Å; F121-L125 HydrophobicContact CZ-CD1 4.02Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 3.03Å; L122-L125 PolarHBondContact O-N 2.98Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 2.84Å; L125-V128 PolarHBondContact O-N 3.11Å; L125-V128 VanDerWaalsContact O-N 3.07Å; L125-Y129 HydrophobicContact CD2-CE2 4.34Å; L125-Y129 HydrophobicContact CG-CD2 4.34Å; L125-Y129 HydrophobicContact CG-CE2 4Å; L125-Y129 VanDerWaalsContact O-CD2 3.23Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 2.92Å; L125-I190 HydrophobicContact CD2-CG2 4.01Å; L125-L191 HydrophobicContact CD2-CD2 3.35Å; L125-L191 HydrophobicContact CD2-CG 4.04Å; L125-L191 HydrophobicContact CG-CD2 4.16Å
126	N	72.4	Confident	70.8	Confident	38 Å²	38	40.3 Å²	40.3	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-40.7	178.6	-77.6	-25.6	0	0	0	112.2	L122 Y129 L130 C194 L198	L122-N126 WeakPolarHBondContact O-CB 3.42Å; L122-N126 PolarHBondContact O-N 3.43Å; L122-N126 PolarHBondContact O-ND2 3.49Å; N126-Y129 PolarHBondContact O-N 3.22Å; N126-L130 WeakPolarHBondContact O-CB 3.45Å; N126-L130 PolarHBondContact O-N 3Å; N126-C194 WeakPolarHBondContact OD1-CB 3Å; N126-L198 HydrophobicContact CB-CD1 4.38Å; N126-L198 WeakPolarHBondContact O-CD1 3.38Å
127	K	72.6	Confident	70.7	Confident	75 Å²	75	36.8 Å²	36.8	33%	0.326	19%	0.186	S	C	.	.	H	α-helix	trans	-64.8	-42.3	175.7	-74.6	-176	-177.8	-170.9	0	112.8	P74 P77 C123 C124 L125 Y129 L130 I131	P74-K127 PolarHBondContact O-NZ 3.21Å; P77-K127 HydrophobicContact CB-CB 3.81Å; P77-K127 HydrophobicContact CB-CD 4.43Å; P77-K127 HydrophobicContact CG-CB 4.06Å; C123-K127 WeakPolarHBondContact O-CG 3.47Å; C123-K127 PolarHBondContact O-N 3.47Å; C123-K127 VanDerWaalsContact O-N 3.09Å; C124-K127 PolarHBondContact O-N 3.31Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 2.84Å; K127-Y129 VanDerWaalsContact C-N 3.35Å; K127-Y129 PolarHBondContact O-N 3.35Å; K127-L130 PolarHBondContact O-N 3.46Å; K127-I131 WeakPolarHBondContact O-CD1 3.49Å; K127-I131 WeakPolarHBondContact O-CG1 3.48Å; K127-I131 PolarHBondContact O-N 3.26Å
128	V	73.6	Confident	69.9	Low	4 Å²	4	41.6 Å²	41.6	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-47.7	176.9	173.2	0	0	0	0	110.4	P77 L78 I80 F81 C124 L125 I131 A132 V174	P77-V128 HydrophobicContact CB-CG2 3.88Å; P77-V128 HydrophobicContact CG-CG2 4.38Å; L78-V128 HydrophobicContact CD2-CG1 4.45Å; L78-V128 HydrophobicContact CD2-CG2 4.29Å; I80-V128 HydrophobicContact CG2-CG2 4.12Å; F81-V128 HydrophobicContact CE2-CG1 4.11Å; F81-V128 HydrophobicContact CE2-CG2 4.24Å; F81-V128 HydrophobicContact CZ-CG1 4.38Å; C124-V128 WeakPolarHBondContact O-CG2 3.48Å; C124-V128 PolarHBondContact O-N 3.44Å; L125-V128 PolarHBondContact O-N 3.11Å; L125-V128 VanDerWaalsContact O-N 3.07Å; V128-I131 PolarHBondContact O-N 2.98Å; V128-A132 WeakPolarHBondContact O-CB 3.45Å; V128-A132 PolarHBondContact O-N 3.5Å; V128-V174 HydrophobicContact CG1-CG2 3.84Å
129	Y	74.5	Confident	68.8	Low	5 Å²	5	45.9 Å²	45.9	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-71.5	-29.9	179.6	-73	-77.8	0	0	0	113.4	L125 N126 K127 A132 L133 V174 N178 L191 W235 F240	L125-Y129 HydrophobicContact CD2-CE2 4.34Å; L125-Y129 HydrophobicContact CG-CD2 4.34Å; L125-Y129 HydrophobicContact CG-CE2 4Å; L125-Y129 VanDerWaalsContact O-CD2 3.23Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 2.92Å; N126-Y129 PolarHBondContact O-N 3.22Å; K127-Y129 VanDerWaalsContact C-N 3.35Å; K127-Y129 PolarHBondContact O-N 3.35Å; Y129-A132 PolarHBondContact O-N 3.04Å; Y129-L133 PolarHBondContact O-N 3.17Å; Y129-V174 HydrophobicContact CD1-CG1 4.25Å; Y129-V174 HydrophobicContact CE1-CG1 3.81Å; Y129-N178 WeakPolarHBondContact CE1-OD1 3.37Å; Y129-N178 PolarHBondContact OH-OD1 3.39Å; Y129-L191 HydrophobicContact CD2-CD2 3.82Å; Y129-L191 HydrophobicContact CE1-CD2 4.29Å; Y129-L191 HydrophobicContact CE2-CD2 3.1Å; Y129-L191 HydrophobicContact CE2-CG 4.48Å; Y129-L191 WeakPolarHBondContact OH-CD1 3.46Å; Y129-L191 WeakPolarHBondContact OH-CD2 3.38Å; Y129-W235 HydrophobicContact CD1-CZ2 4.22Å; Y129-W235 WeakPolarHBondContact O-CZ2 3.44Å; Y129-F240 AromaticContact CD1-CE1 3.77Å; Y129-F240 HydrophobicContact CD1-CE1 3.77Å; Y129-F240 HydrophobicContact CD1-CE2 4.23Å; Y129-F240 AromaticContact CD1-CZ 3.27Å; Y129-F240 HydrophobicContact CD1-CZ 3.27Å; Y129-F240 AromaticContact CE1-CE1 3.6Å; Y129-F240 HydrophobicContact CE1-CE1 3.6Å; Y129-F240 AromaticContact CE1-CZ 3.57Å; Y129-F240 HydrophobicContact CE1-CZ 3.57Å; Y129-F240 HydrophobicContact CG-CE1 4.31Å; Y129-F240 AromaticContact CG-CZ 3.87Å; Y129-F240 HydrophobicContact CG-CZ 3.87Å
130	L	70.7	Confident	67.6	Low	39 Å²	39	45.5 Å²	45.5	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-49.2	171.4	-165.9	68.2	0	0	0	111.1	N126 K127 A132 L133 W134 L150 L198 C202	N126-L130 WeakPolarHBondContact O-CB 3.45Å; N126-L130 PolarHBondContact O-N 3Å; K127-L130 PolarHBondContact O-N 3.46Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 3.35Å; L130-L133 PolarHBondContact O-N 2.64Å; L130-W134 VanDerWaalsContact O-CD1 3.26Å; L130-W134 PolarHBondContact O-N 3.21Å; L130-L150 HydrophobicContact CD2-CD2 4.04Å; L130-L198 HydrophobicContact CB-CD1 3.89Å; L130-L198 HydrophobicContact CD1-CD1 4.03Å; L130-L198 HydrophobicContact CD1-CD2 4Å; L130-L198 HydrophobicContact CD1-CG 3.96Å; L130-C202 VanDerWaalsContact CD1-SG 3.53Å
131	I	67.4	Low	66.3	Low	14 Å²	14	42.8 Å²	42.8	7%	0.072	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-39	178.5	-62.4	163.4	0	0	0	109.7	P77 K127 V128 W134 H135 L150 M154 L170	P77-I131 HydrophobicContact CG-CD1 4.03Å; K127-I131 WeakPolarHBondContact O-CD1 3.49Å; K127-I131 WeakPolarHBondContact O-CG1 3.48Å; K127-I131 PolarHBondContact O-N 3.26Å; V128-I131 PolarHBondContact O-N 2.98Å; I131-W134 PolarHBondContact O-N 2.98Å; I131-H135 PolarHBondContact O-CD2 3.16Å; I131-H135 PolarHBondContact O-N 3.47Å; I131-L150 HydrophobicContact CG1-CD2 4.27Å; I131-M154 HydrophobicContact CD1-CE 4.34Å; I131-M154 HydrophobicContact CD1-SD 4.08Å; I131-L170 HydrophobicContact CG2-CD2 3.64Å
132	A	69.9	Low	64.7	Low	2 Å²	2	46.4 Å²	46.4	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-39.8	175.3	0	0	0	0	0	112.8	V128 Y129 L130 H135 V136 V174	V128-A132 WeakPolarHBondContact O-CB 3.45Å; V128-A132 PolarHBondContact O-N 3.5Å; Y129-A132 PolarHBondContact O-N 3.04Å; L130-A132 VanDerWaalsContact C-N 3.27Å; L130-A132 PolarHBondContact O-N 3.35Å; A132-H135 PolarHBondContact O-N 2.84Å; A132-V136 WeakPolarHBondContact O-CG2 3.44Å; A132-V136 PolarHBondContact O-N 3.35Å; A132-V174 HydrophobicContact CB-CG1 4.31Å; A132-V174 HydrophobicContact CB-CG2 4.01Å
133	L	71.5	Confident	63.2	Low	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-45.3	175.2	177.3	62.8	0	0	0	110.9	Y129 L130 H135 V136 D137 L198 C202 L232 W235	Y129-L133 PolarHBondContact O-N 3.17Å; L130-L133 PolarHBondContact O-N 2.64Å; L133-H135 PolarHBondContact O-N 3.36Å; L133-V136 PolarHBondContact O-N 3.39Å; L133-D137 WeakPolarHBondContact O-CB 3.38Å; L133-D137 PolarHBondContact O-N 3.3Å; L133-L198 HydrophobicContact CB-CD2 4.47Å; L133-L198 HydrophobicContact CD2-CD2 3.93Å; L133-C202 HydrophobicContact CD2-CB 4.06Å; L133-C202 VanDerWaalsContact CD2-SG 3.58Å; L133-L232 HydrophobicContact CD1-CD1 3.89Å; L133-L232 HydrophobicContact CD2-CD1 4.12Å; L133-W235 VanDerWaalsContact CA-NE1 3.34Å; L133-W235 HydrophobicContact CB-CD2 4.12Å; L133-W235 HydrophobicContact CB-CG 4.46Å; L133-W235 HydrophobicContact CB-CH2 4.48Å; L133-W235 HydrophobicContact CB-CZ2 3.89Å; L133-W235 HydrophobicContact CD1-CB 3.84Å; L133-W235 HydrophobicContact CD1-CD2 3.51Å; L133-W235 HydrophobicContact CD1-CE3 3.87Å; L133-W235 HydrophobicContact CD1-CG 3.46Å; L133-W235 VanDerWaalsContact CD1-CG 3.46Å; L133-W235 HydrophobicContact CG-CD2 4.32Å
134	W	66.4	Low	61.5	Low	66 Å²	66	49.4 Å²	49.4	25%	0.25	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-30.4	177.7	-74.8	27.8	0	0	0	112.6	L130 I131 V136 D137 V146 L150	L130-W134 VanDerWaalsContact O-CD1 3.26Å; L130-W134 PolarHBondContact O-N 3.21Å; I131-W134 PolarHBondContact O-N 2.98Å; W134-V136 VanDerWaalsContact C-N 3.32Å; W134-D137 PolarHBondContact O-N 3.34Å; W134-V146 HydrophobicContact CH2-CB 4.2Å; W134-V146 HydrophobicContact CH2-CG1 3.6Å; W134-V146 HydrophobicContact CZ2-CG1 4.05Å; W134-L150 HydrophobicContact CE3-CB 3.97Å; W134-L150 HydrophobicContact CE3-CD2 4.33Å; W134-L150 HydrophobicContact CH2-CB 4.21Å; W134-L150 HydrophobicContact CH2-CD2 4.33Å; W134-L150 HydrophobicContact CZ3-CB 3.54Å; W134-L150 HydrophobicContact CZ3-CD2 4.21Å; W134-L150 HydrophobicContact CZ3-CG 4.44Å
135	H	62	Low	59.8	Low	36 Å²	36	57.9 Å²	57.9	17%	0.167	30%	0.297	C	S	.	.	H	α-helix	trans	-70.6	-24.5	173.8	-98.2	-70.2	0	0	0	114.2	I131 A132 L133 Y163 L170 L171	I131-H135 PolarHBondContact O-CD2 3.16Å; I131-H135 PolarHBondContact O-N 3.47Å; A132-H135 PolarHBondContact O-N 2.84Å; L133-H135 PolarHBondContact O-N 3.36Å; H135-Y163 AromaticContact CE1-CE1 3.78Å; H135-L170 WeakPolarHBondContact CD2-CD2 3.45Å; H135-L171 HydrophobicContact CB-CD1 4.15Å
136	V	62	Low	58.1	Low	49 Å²	49	61.2 Å²	61.2	30%	0.297	32%	0.317	S	S	.	.	H	α-helix	trans	-91	-23.4	176.3	178.5	0	0	0	0	111.1	A132 L133 W134 H138 L171	A132-V136 WeakPolarHBondContact O-CG2 3.44Å; A132-V136 PolarHBondContact O-N 3.35Å; L133-V136 PolarHBondContact O-N 3.39Å; W134-V136 VanDerWaalsContact C-N 3.32Å; V136-H138 PolarHBondContact O-N 3.03Å; V136-L171 HydrophobicContact CG2-CD1 4.46Å; V136-L171 HydrophobicContact CG2-CD2 4.14Å
137	D	63.2	Low	56.7	Low	39 Å²	39	65 Å²	65	21%	0.209	33%	0.333	C	S	.	.			trans	-81.9	91.5	179.4	-158.7	8.5	0	0	0	111.1	L133 W134 D139 K206 W227	L133-D137 WeakPolarHBondContact O-CB 3.38Å; L133-D137 PolarHBondContact O-N 3.3Å; W134-D137 PolarHBondContact O-N 3.34Å; D137-D139 PolarHBondContact O-N 3.37Å; D137-K206 IonicContact OD1-NZ 3.43Å; D137-K206 PolarHBondContact OD1-NZ 3.26Å; D137-K206 WeakPolarHBondContact OD2-CE 3.45Å; D137-K206 IonicContact OD2-NZ 3.14Å; D137-K206 PolarHBondContact OD2-NZ 3.48Å; D137-W227 PolarHBondContact OD1-NE1 3.25Å; D137-W227 PolarHBondContact OD2-NE1 2.94Å
138	H	52.2	Low	55.1	Low	154 Å²	154	70 Å²	70	71%	0.713	36%	0.358	S	S	*	.			trans	-78.8	-5.1	-172.6	-92.7	-79.6	0	0	0	115.8	V136	V136-H138 PolarHBondContact O-N 3.03Å
139	D	51	Low	53.6	Low	114 Å²	114	74.9 Å²	74.9	61%	0.61	38%	0.384	S	S	*	.	S	Bend	trans	-110	155.4	-162.9	-76.4	-30.9	0	0	0	117.1	D137 Y141	D137-D139 PolarHBondContact O-N 3.37Å; D139-Y141 PolarHBondContact O-N 3.39Å
140	D	46.8	Very low	52	Low	128 Å²	128	77 Å²	77	68%	0.684	40%	0.395	S	S	*	.	S	Bend	trans	-61.7	28.6	-166.9	-69.4	-38.8	0	0	0	119.3	I142 K160	D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 3.43Å; D140-K160 IonicContact OD1-NZ 3.85Å
141	Y	47.6	Very low	50.6	Low	42 Å²	42	77.8 Å²	77.8	17%	0.165	40%	0.399	C	S	.	.			trans	-89.4	21.3	-178.5	-94.9	-99.7	0	0	0	115	D139 G143 F209 I223	D139-Y141 PolarHBondContact O-N 3.39Å; Y141-G143 PolarHBondContact O-N 2.91Å; Y141-F209 AromaticContact CD1-CD1 3.56Å; Y141-F209 HydrophobicContact CD1-CD1 3.56Å; Y141-F209 AromaticContact CD1-CE1 3.56Å; Y141-F209 HydrophobicContact CD1-CE1 3.56Å; Y141-F209 HydrophobicContact CE1-CD1 4.03Å; Y141-F209 HydrophobicContact CE1-CE1 4.07Å; Y141-F209 HydrophobicContact CG-CE1 4.3Å; Y141-I223 HydrophobicContact CD2-CG2 4.38Å; Y141-I223 HydrophobicContact CE2-CB 4.34Å; Y141-I223 HydrophobicContact CE2-CD1 4.42Å; Y141-I223 HydrophobicContact CE2-CG2 3.45Å; Y141-I223 VanDerWaalsContact CE2-CG2 3.45Å; Y141-I223 WeakPolarHBondContact OH-CD1 3.42Å
142	I	42	Very low	49.6	Very low	78 Å²	78	79.3 Å²	79.3	40%	0.4	41%	0.411	S	S	.	.			trans	-81.5	105.2	-179	-55.1	179	0	0	0	109.1	D140 M151 K160	D140-I142 VanDerWaalsContact C-N 3.31Å; D140-I142 PolarHBondContact O-N 3.43Å; I142-M151 HydrophobicContact CD1-CE 3.49Å; I142-M151 VanDerWaalsContact CD1-CE 3.49Å; I142-M151 HydrophobicContact CD1-SD 3.56Å; I142-M151 VanDerWaalsContact CD1-SD 3.56Å; I142-K160 HydrophobicContact CD1-CD 4.39Å
143	G	40.9	Very low	48.6	Very low	12 Å²	12	79.3 Å²	79.3	12%	0.124	41%	0.41	C	S	.	.			trans	-64.9	147.4	162.3	0	0	0	0	0	110.8	Y141 E145	Y141-G143 PolarHBondContact O-N 2.91Å; G143-E145 PolarHBondContact O-N 2.81Å
144	P	36.9	Very low	47.6	Very low	136 Å²	136	83.1 Å²	83.1	88%	0.883	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-1.9	-170.5	24.7	-33.3	0	0	0	115.6
145	E	37.5	Very low	46.7	Very low	178 Å²	178	84 Å²	84	83%	0.832	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-4.5	-169.7	-66.7	-174.2	170.1	0	0	115.1	G143 H147	G143-E145 PolarHBondContact O-N 2.81Å; E145-H147 PolarHBondContact O-N 3.38Å
146	V	38.7	Very low	46.4	Very low	73 Å²	73	85 Å²	85	44%	0.442	45%	0.449	S	S	.	.	S	Bend	trans	-95.7	81.3	179.4	-158.9	0	0	0	0	111	W134	W134-V146 HydrophobicContact CH2-CB 4.2Å; W134-V146 HydrophobicContact CH2-CG1 3.6Å; W134-V146 HydrophobicContact CZ2-CG1 4.05Å
147	H	42.3	Very low	45.9	Very low	116 Å²	116	85.3 Å²	85.3	54%	0.537	46%	0.462	S	S	.	.			trans	38.2	108.3	160.9	-87.8	-82.2	0	0	0	118.8	E145 D149 L150	E145-H147 PolarHBondContact O-N 3.38Å; H147-D149 HydrophobicContact CB-CB 4.4Å; H147-D149 IonicContact CE1-OD2 3.49Å; H147-D149 IonicContact ND1-OD2 3.59Å; H147-D149 PolarHBondContact ND1-OD2 3.43Å; H147-D149 PolarHBondContact O-N 3.26Å; H147-L150 HydrophobicContact CB-CD1 3.94Å; H147-L150 PolarHBondContact O-N 3.38Å; H147-L150 VanDerWaalsContact O-N 3.07Å
148	E	40.8	Very low	45.2	Very low	180 Å²	180	84.7 Å²	84.7	84%	0.841	46%	0.461	S	S	*	.	H	α-helix	trans	-49.5	-26.2	160.2	-74	-178.4	149.9	0	0	113.1	L150 M151	E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 3.2Å; E148-M151 PolarHBondContact O-N 3.27Å
149	D	40.6	Very low	44.8	Very low	108 Å²	108	80.4 Å²	80.4	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-67	-20.1	178.8	-63.3	-45.8	0	0	0	114.6	H147	H147-D149 HydrophobicContact CB-CB 4.4Å; H147-D149 IonicContact CE1-OD2 3.49Å; H147-D149 IonicContact ND1-OD2 3.59Å; H147-D149 PolarHBondContact ND1-OD2 3.43Å; H147-D149 PolarHBondContact O-N 3.26Å
150	L	41.9	Very low	44.4	Very low	49 Å²	49	79 Å²	79	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-97.3	-15.8	176.5	-86.5	102.5	0	0	0	113.6	L130 I131 W134 H147 E148	L130-L150 HydrophobicContact CD2-CD2 4.04Å; I131-L150 HydrophobicContact CG1-CD2 4.27Å; W134-L150 HydrophobicContact CE3-CB 3.97Å; W134-L150 HydrophobicContact CE3-CD2 4.33Å; W134-L150 HydrophobicContact CH2-CB 4.21Å; W134-L150 HydrophobicContact CH2-CD2 4.33Å; W134-L150 HydrophobicContact CZ3-CB 3.54Å; W134-L150 HydrophobicContact CZ3-CD2 4.21Å; W134-L150 HydrophobicContact CZ3-CG 4.44Å; H147-L150 HydrophobicContact CB-CD1 3.94Å; H147-L150 PolarHBondContact O-N 3.38Å; H147-L150 VanDerWaalsContact O-N 3.07Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 3.2Å
151	M	41.1	Very low	44.2	Very low	56 Å²	56	80.1 Å²	80.1	28%	0.276	44%	0.442	S	S	.	.	H	α-helix	trans	-83.6	-12.3	-175.1	-79.4	-79.3	-81.6	0	0	113.8	I142 E148 K160 Y163	I142-M151 HydrophobicContact CD1-CE 3.49Å; I142-M151 VanDerWaalsContact CD1-CE 3.49Å; I142-M151 HydrophobicContact CD1-SD 3.56Å; I142-M151 VanDerWaalsContact CD1-SD 3.56Å; E148-M151 PolarHBondContact O-N 3.27Å; M151-K160 HydrophobicContact CE-CB 4.01Å; M151-K160 HydrophobicContact CE-CD 3.86Å; M151-K160 HydrophobicContact CE-CG 3.93Å; M151-Y163 PolarHBondContact O-OH 3.35Å
152	S	46.8	Very low	43.7	Very low	46 Å²	46	83.7 Å²	83.7	32%	0.322	46%	0.462	S	S	.	.	S	Bend	trans	-95.2	123.8	169.5	60.1	0	0	0	0	109.9	M154 C158	S152-M154 PolarHBondContact O-N 3.34Å; S152-C158 VanDerWaalsContact CA-O 3.27Å; S152-C158 WeakPolarHBondContact CA-O 3.35Å
153	C	48.4	Very low	43.7	Very low	1 Å²	1	83.4 Å²	83.4	1%	0.007	46%	0.456	C	S	.	.			trans	-55.2	113.1	173.3	168.1	0	0	0	0	108.7	N155 C156 G157 C158 Y163	C153-N155 PolarHBondContact O-N 3.26Å; C153-C156 VanDerWaalsContact CB-SG 3.54Å; C153-C156 PolarHBondContact O-N 2.97Å; C153-G157 WeakPolarHBondContact O-CA 3.24Å; C153-G157 PolarHBondContact O-N 3.19Å; C153-C158 PolarHBondContact N-O 2.93Å; C153-C158 VanDerWaalsContact N-O 3.11Å; C153-Y163 HydrophobicContact CB-CE1 4.28Å; C153-Y163 PolarHBondContact N-OH 3.27Å
154	M	49.8	Very low	43.6	Very low	85 Å²	85	92.3 Å²	92.3	42%	0.419	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.3	-175.8	-78.3	-176.8	-173.7	0	0	114	P77 I131 S152	P77-M154 WeakPolarHBondContact CD-SD 3.43Å; P77-M154 HydrophobicContact CG-SD 3.95Å; I131-M154 HydrophobicContact CD1-CE 4.34Å; I131-M154 HydrophobicContact CD1-SD 4.08Å; S152-M154 PolarHBondContact O-N 3.34Å
155	N	48.8	Very low	43.8	Very low	83 Å²	83	90.2 Å²	90.2	44%	0.444	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-32.2	175.9	-141.7	19.1	0	0	0	113.2	L78 C153 T169 D173	L78-N155 HydrophobicContact CD1-CB 4.08Å; C153-N155 PolarHBondContact O-N 3.26Å; N155-T169 PolarHBondContact ND2-OG1 2.79Å; N155-D173 PolarHBondContact ND2-OD2 3.04Å
156	C	55	Low	44.2	Very low	59 Å²	59	91.6 Å²	91.6	40%	0.399	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-8.8	-175	71.9	0	0	0	0	116	C153 C158	C153-C156 VanDerWaalsContact CB-SG 3.54Å; C153-C156 PolarHBondContact O-N 2.97Å; C156-C158 WeakPolarHBondContact CB-SG 3.37Å; C156-C158 PolarHBondContact O-N 3.4Å; C156-C158 WeakPolarHBondContact SG-CB 3.28Å; C156-C158 CovalentContact SG-SG 2.06Å; C156-C158 PolarHBondContact SG-SG 3.05Å
157	G	51.3	Low	44.6	Very low	55 Å²	55	92 Å²	92	57%	0.567	49%	0.489	S	S	*	.			trans	69.6	6.5	-175.6	0	0	0	0	0	114.8	C153	C153-G157 WeakPolarHBondContact O-CA 3.24Å; C153-G157 PolarHBondContact O-N 3.19Å
158	C	48.7	Very low	45.3	Very low	26 Å²	26	88.2 Å²	88.2	18%	0.176	48%	0.475	C	S	.	.			trans	-66.3	136.2	-176.2	-44.6	0	0	0	0	110.5	S152 C153 C156 M162 Y163	S152-C158 VanDerWaalsContact CA-O 3.27Å; S152-C158 WeakPolarHBondContact CA-O 3.35Å; C153-C158 PolarHBondContact N-O 2.93Å; C153-C158 VanDerWaalsContact N-O 3.11Å; C156-C158 WeakPolarHBondContact CB-SG 3.37Å; C156-C158 PolarHBondContact O-N 3.4Å; C156-C158 WeakPolarHBondContact SG-CB 3.28Å; C156-C158 CovalentContact SG-SG 2.06Å; C156-C158 PolarHBondContact SG-SG 3.05Å; C158-M162 HydrophobicContact CB-CB 4.48Å; C158-Y163 HydrophobicContact CB-CD1 4.22Å; C158-Y163 HydrophobicContact CB-CE1 3.69Å; C158-Y163 PolarHBondContact O-OH 2.98Å
159	S	45	Very low	46.4	Very low	64 Å²	64	82.5 Å²	82.5	45%	0.448	45%	0.452	S	S	.	.			trans	-96.4	171.6	173.6	62.5	0	0	0	0	111.8	D161 M162 Y163	S159-D161 PolarHBondContact O-N 3.31Å; S159-M162 PolarHBondContact O-N 3Å; S159-Y163 WeakPolarHBondContact O-CD2 3.24Å; S159-Y163 VanDerWaalsContact O-CE2 3.24Å; S159-Y163 WeakPolarHBondContact O-CE2 3.44Å
160	K	42.3	Very low	47.6	Very low	83 Å²	83	77.6 Å²	77.6	36%	0.361	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.5	-32.2	-176.5	-140.5	-167.4	-174.1	-170.6	0	115.8	D140 I142 M151 Y163	D140-K160 IonicContact OD1-NZ 3.85Å; I142-K160 HydrophobicContact CD1-CD 4.39Å; M151-K160 HydrophobicContact CE-CB 4.01Å; M151-K160 HydrophobicContact CE-CD 3.86Å; M151-K160 HydrophobicContact CE-CG 3.93Å; K160-Y163 HydrophobicContact CB-CE2 4.5Å; K160-Y163 VanDerWaalsContact O-CD2 3.28Å; K160-Y163 WeakPolarHBondContact O-CD2 3.43Å
161	D	41.1	Very low	48.7	Very low	152 Å²	152	78 Å²	78	81%	0.813	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	0.3	-172	-55.7	-35.6	0	0	0	114.8	S159	S159-D161 PolarHBondContact O-N 3.31Å
162	M	37.5	Very low	49.9	Very low	118 Å²	118	80.6 Å²	80.6	58%	0.581	44%	0.443	S	S	*	.	S	Bend	trans	-108.9	5.9	179.9	-81.2	-135.6	118	0	0	114.8	C158 S159 E164 N165	C158-M162 HydrophobicContact CB-CB 4.48Å; S159-M162 PolarHBondContact O-N 3Å; M162-E164 VanDerWaalsContact C-N 3.33Å; M162-E164 PolarHBondContact O-N 3.05Å; M162-N165 PolarHBondContact O-N 3.27Å
163	Y	41.4	Very low	51	Low	72 Å²	72	80 Å²	80	28%	0.282	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.9	-168.3	-64.3	-55.9	0	0	0	116.1	H135 M151 C153 C158 S159 K160 N165	H135-Y163 AromaticContact CE1-CE1 3.78Å; M151-Y163 PolarHBondContact O-OH 3.35Å; C153-Y163 HydrophobicContact CB-CE1 4.28Å; C153-Y163 PolarHBondContact N-OH 3.27Å; C158-Y163 HydrophobicContact CB-CD1 4.22Å; C158-Y163 HydrophobicContact CB-CE1 3.69Å; C158-Y163 PolarHBondContact O-OH 2.98Å; S159-Y163 WeakPolarHBondContact O-CD2 3.24Å; S159-Y163 VanDerWaalsContact O-CE2 3.24Å; S159-Y163 WeakPolarHBondContact O-CE2 3.44Å; K160-Y163 HydrophobicContact CB-CE2 4.5Å; K160-Y163 VanDerWaalsContact O-CD2 3.28Å; K160-Y163 WeakPolarHBondContact O-CD2 3.43Å; Y163-N165 PolarHBondContact O-N 2.77Å
164	E	40.2	Very low	52.1	Low	199 Å²	199	80 Å²	80	93%	0.93	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.1	168.8	-69.9	-174.2	162.1	0	0	113.3	M162	M162-E164 VanDerWaalsContact C-N 3.33Å; M162-E164 PolarHBondContact O-N 3.05Å
165	N	40	Very low	53.1	Low	91 Å²	91	79.4 Å²	79.4	49%	0.487	43%	0.432	S	S	.	.	S	Bend	trans	-85.5	123.5	174.2	-71.2	-38.9	0	0	0	110.8	M162 Y163 S167	M162-N165 PolarHBondContact O-N 3.27Å; Y163-N165 PolarHBondContact O-N 2.77Å; N165-S167 PolarHBondContact O-N 3.38Å
166	E	47.5	Very low	54.2	Low	207 Å²	207	81.4 Å²	81.4	97%	0.967	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	14.6	173.6	-61.3	178.8	150.6	0	0	115.2
167	S	46.3	Very low	55.1	Low	83 Å²	83	78.8 Å²	78.8	58%	0.58	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-6.9	-170.7	61.8	0	0	0	0	115.3	N165 T169	N165-S167 PolarHBondContact O-N 3.38Å; S167-T169 PolarHBondContact O-N 3.09Å
168	C	56.8	Low	56.2	Low	35 Å²	35	76.1 Å²	76.1	24%	0.236	39%	0.389	C	S	.	.			trans	-77.7	107.9	177.8	-172.3	0	0	0	0	111.4	L170	C168-L170 VanDerWaalsContact C-N 3.31Å; C168-L170 PolarHBondContact O-N 2.77Å
169	T	64.7	Low	57.2	Low	61 Å²	61	77.3 Å²	77.3	37%	0.374	40%	0.397	S	S	.	.			trans	-81.8	-4.3	-179	68.6	0	0	0	0	114.3	N155 S167 L171 N172 D173	N155-T169 PolarHBondContact ND2-OG1 2.79Å; S167-T169 PolarHBondContact O-N 3.09Å; T169-L171 PolarHBondContact O-N 2.99Å; T169-N172 CarbonylContact O-C 3.57Å; T169-N172 WeakPolarHBondContact O-CA 3.44Å; T169-N172 WeakPolarHBondContact O-CB 3.41Å; T169-N172 PolarHBondContact O-N 3.38Å; T169-D173 WeakPolarHBondContact CB-OD2 3.22Å; T169-D173 WeakPolarHBondContact O-CB 3.43Å; T169-D173 VanDerWaalsContact O-CG 3.32Å; T169-D173 PolarHBondContact O-N 3.22Å; T169-D173 PolarHBondContact OG1-OD2 3.3Å
170	L	65.4	Low	58.6	Low	4 Å²	4	75 Å²	75	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-57.5	-45.2	-169.8	-170.4	85.2	0	0	0	112.8	L78 I131 H135 C168 N172 D173 V174	L78-L170 HydrophobicContact CD1-CD1 3.94Å; L78-L170 HydrophobicContact CD2-CD1 3.78Å; L78-L170 HydrophobicContact CG-CD1 4.37Å; I131-L170 HydrophobicContact CG2-CD2 3.64Å; H135-L170 WeakPolarHBondContact CD2-CD2 3.45Å; C168-L170 VanDerWaalsContact C-N 3.31Å; C168-L170 PolarHBondContact O-N 2.77Å; L170-N172 VanDerWaalsContact C-N 3.35Å; L170-D173 PolarHBondContact O-N 3.3Å; L170-V174 VanDerWaalsContact O-CG2 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.39Å; L170-V174 PolarHBondContact O-N 2.95Å
171	L	65	Low	60	Low	58 Å²	58	71.2 Å²	71.2	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-41	176.2	-100	123.3	0	0	0	111.6	H135 V136 T169 D173 V174 H175	H135-L171 HydrophobicContact CB-CD1 4.15Å; V136-L171 HydrophobicContact CG2-CD1 4.46Å; V136-L171 HydrophobicContact CG2-CD2 4.14Å; T169-L171 PolarHBondContact O-N 2.99Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 3.27Å; L171-V174 PolarHBondContact O-N 2.97Å; L171-H175 PolarHBondContact O-CD2 3.27Å; L171-H175 PolarHBondContact O-N 3.5Å
172	N	66.3	Low	61.5	Low	111 Å²	111	65 Å²	65	59%	0.594	33%	0.331	S	S	*	.	H	α-helix	trans	-63.2	-39.3	175.9	-67.9	-28.7	0	0	0	111.7	T169 L170 H175 R176	T169-N172 CarbonylContact O-C 3.57Å; T169-N172 WeakPolarHBondContact O-CA 3.44Å; T169-N172 WeakPolarHBondContact O-CB 3.41Å; T169-N172 PolarHBondContact O-N 3.38Å; L170-N172 VanDerWaalsContact C-N 3.35Å; N172-H175 PolarHBondContact O-N 3.39Å; N172-R176 VanDerWaalsContact O-CB 3.31Å; N172-R176 WeakPolarHBondContact O-CB 3.21Å; N172-R176 PolarHBondContact O-N 3.35Å
173	D	69	Low	63	Low	34 Å²	34	61.2 Å²	61.2	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-45.1	176.4	-70.6	-38.8	0	0	0	110.4	F81 N155 T169 L170 L171 H175 R176 I177	F81-D173 HydrophobicContact CE1-CB 3.63Å; F81-D173 WeakPolarHBondContact CE1-O 3.28Å; F81-D173 HydrophobicContact CZ-CB 4Å; N155-D173 PolarHBondContact ND2-OD2 3.04Å; T169-D173 WeakPolarHBondContact CB-OD2 3.22Å; T169-D173 WeakPolarHBondContact O-CB 3.43Å; T169-D173 VanDerWaalsContact O-CG 3.32Å; T169-D173 PolarHBondContact O-N 3.22Å; T169-D173 PolarHBondContact OG1-OD2 3.3Å; L170-D173 PolarHBondContact O-N 3.3Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 3.27Å; D173-H175 PolarHBondContact O-N 3.43Å; D173-R176 WeakPolarHBondContact O-CB 3.07Å; D173-R176 PolarHBondContact O-N 3.1Å; D173-I177 PolarHBondContact O-N 3.11Å
174	V	71.4	Confident	64.3	Low	1 Å²	1	57.8 Å²	57.8	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-45	175.3	173.4	0	0	0	0	111.6	V128 Y129 A132 L170 L171 R176 I177 N178 N239	V128-V174 HydrophobicContact CG1-CG2 3.84Å; Y129-V174 HydrophobicContact CD1-CG1 4.25Å; Y129-V174 HydrophobicContact CE1-CG1 3.81Å; A132-V174 HydrophobicContact CB-CG1 4.31Å; A132-V174 HydrophobicContact CB-CG2 4.01Å; L170-V174 VanDerWaalsContact O-CG2 3.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.39Å; L170-V174 PolarHBondContact O-N 2.95Å; L171-V174 PolarHBondContact O-N 2.97Å; V174-R176 VanDerWaalsContact C-N 3.29Å; V174-R176 PolarHBondContact O-N 3.06Å; V174-I177 PolarHBondContact O-N 3.35Å; V174-N178 VanDerWaalsContact O-CG 3.24Å; V174-N178 PolarHBondContact O-N 3.3Å; V174-N178 PolarHBondContact O-ND2 3.43Å; V174-N239 WeakPolarHBondContact CG1-OD1 3.49Å
175	H	70.5	Confident	65.6	Low	71 Å²	71	49 Å²	49	33%	0.329	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-38.9	174	-75.3	-58.4	0	0	0	112.2	L171 N172 D173 N178 S179	L171-H175 PolarHBondContact O-CD2 3.27Å; L171-H175 PolarHBondContact O-N 3.5Å; N172-H175 PolarHBondContact O-N 3.39Å; D173-H175 PolarHBondContact O-N 3.43Å; H175-N178 PolarHBondContact O-N 2.99Å; H175-S179 PolarHBondContact O-N 3.4Å
176	R	71.7	Confident	67.1	Low	126 Å²	126	44.7 Å²	44.7	48%	0.475	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-45.3	174.8	-173.3	174.1	175	-140.8	-14.1	111.1	E85 N172 D173 V174 N178 S179 L180	E85-R176 IonicContact OE1-CZ 3.77Å; E85-R176 IonicContact OE1-NE 3.94Å; E85-R176 IonicContact OE1-NH1 2.69Å; E85-R176 PolarHBondContact OE1-NH1 3.09Å; E85-R176 IonicContact OE1-NH2 3.29Å; E85-R176 PolarHBondContact OE1-NH2 2.88Å; E85-R176 IonicContact OE2-NH2 3.96Å; N172-R176 VanDerWaalsContact O-CB 3.31Å; N172-R176 WeakPolarHBondContact O-CB 3.21Å; N172-R176 PolarHBondContact O-N 3.35Å; D173-R176 WeakPolarHBondContact O-CB 3.07Å; D173-R176 PolarHBondContact O-N 3.1Å; V174-R176 VanDerWaalsContact C-N 3.29Å; V174-R176 PolarHBondContact O-N 3.06Å; R176-N178 PolarHBondContact O-N 3.22Å; R176-S179 PolarHBondContact O-N 3.03Å; R176-S179 PolarHBondContact O-OG 3.49Å; R176-L180 VanDerWaalsContact O-CG 3.31Å; R176-L180 WeakPolarHBondContact O-CG 3.27Å; R176-L180 PolarHBondContact O-N 2.96Å
177	I	75.3	Confident	68	Low	3 Å²	3	35.5 Å²	35.5	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-45.6	172.3	-87.7	-168.7	0	0	0	112.1	I80 F81 D173 V174 S179 L180 L181	I80-I177 HydrophobicContact CG2-CD1 4.38Å; F81-I177 HydrophobicContact CB-CD1 4.2Å; F81-I177 HydrophobicContact CD1-CD1 3.37Å; F81-I177 HydrophobicContact CD1-CG1 3.43Å; F81-I177 VanDerWaalsContact CD1-CG1 3.43Å; F81-I177 HydrophobicContact CD2-CD1 3.28Å; F81-I177 HydrophobicContact CD2-CG1 4.29Å; F81-I177 HydrophobicContact CE1-CB 4.25Å; F81-I177 HydrophobicContact CE1-CD1 3.35Å; F81-I177 HydrophobicContact CE1-CG1 3.37Å; F81-I177 HydrophobicContact CE2-CD1 3.26Å; F81-I177 HydrophobicContact CE2-CG1 4.24Å; F81-I177 HydrophobicContact CG-CD1 3.35Å; F81-I177 HydrophobicContact CG-CG1 3.92Å; F81-I177 HydrophobicContact CZ-CB 4.5Å; F81-I177 HydrophobicContact CZ-CD1 3.3Å; F81-I177 HydrophobicContact CZ-CG1 3.81Å; D173-I177 PolarHBondContact O-N 3.11Å; V174-I177 PolarHBondContact O-N 3.35Å; I177-S179 PolarHBondContact O-N 3.4Å; I177-L180 PolarHBondContact O-N 3.33Å; I177-L181 HydrophobicContact CG2-CD1 3.48Å; I177-L181 VanDerWaalsContact CG2-CD1 3.48Å; I177-L181 HydrophobicContact CG2-CG 4.17Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 3.32Å
178	N	73.4	Confident	68.9	Low	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-41.1	179.7	-67.9	-22.2	0	0	0	110.6	Y129 V174 H175 R176 L181 T182 L187 N239 F243	Y129-N178 WeakPolarHBondContact CE1-OD1 3.37Å; Y129-N178 PolarHBondContact OH-OD1 3.39Å; V174-N178 VanDerWaalsContact O-CG 3.24Å; V174-N178 PolarHBondContact O-N 3.3Å; V174-N178 PolarHBondContact O-ND2 3.43Å; H175-N178 PolarHBondContact O-N 2.99Å; R176-N178 PolarHBondContact O-N 3.22Å; N178-L181 PolarHBondContact O-N 3.06Å; N178-T182 VanDerWaalsContact O-CB 3.32Å; N178-T182 WeakPolarHBondContact O-CB 3.34Å; N178-T182 PolarHBondContact O-N 3.11Å; N178-T182 PolarHBondContact O-OG1 3.07Å; N178-L187 HydrophobicContact CB-CD1 4.36Å; N178-N239 VanDerWaalsContact CG-O 3.23Å; N178-N239 PolarHBondContact ND2-O 2.72Å; N178-N239 PolarHBondContact ND2-OD1 3.13Å; N178-F243 HydrophobicContact CB-CE2 3.87Å; N178-F243 HydrophobicContact CB-CZ 4.28Å
179	S	71.3	Confident	69.3	Low	50 Å²	50	34.1 Å²	34.1	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-42.6	175.2	80.2	0	0	0	0	112.5	H175 R176 I177 T182 C183	H175-S179 PolarHBondContact O-N 3.4Å; R176-S179 PolarHBondContact O-N 3.03Å; R176-S179 PolarHBondContact O-OG 3.49Å; I177-S179 PolarHBondContact O-N 3.4Å; S179-T182 PolarHBondContact O-N 2.98Å; S179-C183 PolarHBondContact O-N 3.31Å; S179-C183 PolarHBondContact O-SG 3.01Å
180	L	73	Confident	69.4	Low	16 Å²	16	31.4 Å²	31.4	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-44.4	179.2	-66.3	170.2	0	0	0	111.3	V84 E85 Y88 R176 I177 T182 C183 L184	V84-L180 HydrophobicContact CG1-CB 4.19Å; E85-L180 HydrophobicContact CG-CD1 3.83Å; Y88-L180 HydrophobicContact CD1-CD2 3.49Å; Y88-L180 VanDerWaalsContact CD1-CD2 3.49Å; Y88-L180 HydrophobicContact CD2-CD2 3.73Å; Y88-L180 HydrophobicContact CE1-CD2 3.9Å; Y88-L180 HydrophobicContact CE2-CD2 4.12Å; Y88-L180 HydrophobicContact CG-CD2 3.39Å; R176-L180 VanDerWaalsContact O-CG 3.31Å; R176-L180 WeakPolarHBondContact O-CG 3.27Å; R176-L180 PolarHBondContact O-N 2.96Å; I177-L180 PolarHBondContact O-N 3.33Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-C183 PolarHBondContact O-N 2.85Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-L184 VanDerWaalsContact O-N 3.11Å
181	L	73.1	Confident	69.4	Low	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-32.4	178.9	-68.8	172.6	0	0	0	112.1	V84 I177 N178 L184 G185 L186 L187 L191	V84-L181 HydrophobicContact CG1-CD2 3.8Å; V84-L181 HydrophobicContact CG1-CG 4.06Å; V84-L181 HydrophobicContact CG2-CD2 4.4Å; I177-L181 HydrophobicContact CG2-CD1 3.48Å; I177-L181 VanDerWaalsContact CG2-CD1 3.48Å; I177-L181 HydrophobicContact CG2-CG 4.17Å; I177-L181 WeakPolarHBondContact O-CG 3.32Å; I177-L181 PolarHBondContact O-N 3.32Å; N178-L181 PolarHBondContact O-N 3.06Å; L181-L184 PolarHBondContact O-N 3.31Å; L181-G185 PolarHBondContact O-N 3.42Å; L181-L186 HydrophobicContact CD2-CB 4.06Å; L181-L186 HydrophobicContact CD2-CD1 4.21Å; L181-L186 PolarHBondContact O-N 3.47Å; L181-L187 HydrophobicContact CB-CD1 4.18Å; L181-L187 PolarHBondContact O-N 2.85Å; L181-L191 HydrophobicContact CB-CD1 4.13Å; L181-L191 HydrophobicContact CD1-CD1 3.31Å; L181-L191 HydrophobicContact CD1-CG 4.19Å; L181-L191 HydrophobicContact CG-CD1 4.33Å
182	T	71.4	Confident	69.5	Low	21 Å²	21	30.3 Å²	30.3	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-47.2	171	-59.5	0	0	0	0	111.2	N178 S179 L180 L184 G185 F243	N178-T182 VanDerWaalsContact O-CB 3.32Å; N178-T182 WeakPolarHBondContact O-CB 3.34Å; N178-T182 PolarHBondContact O-N 3.11Å; N178-T182 PolarHBondContact O-OG1 3.07Å; S179-T182 PolarHBondContact O-N 2.98Å; L180-T182 VanDerWaalsContact C-N 3.34Å; T182-L184 PolarHBondContact O-N 3.3Å; T182-G185 PolarHBondContact O-N 2.92Å; T182-F243 HydrophobicContact CG2-CB 3.8Å; T182-F243 HydrophobicContact CG2-CD1 3.83Å; T182-F243 HydrophobicContact CG2-CG 4.04Å; T182-F243 WeakPolarHBondContact OG1-CG 3.39Å
183	C	68.8	Low	69.6	Low	39 Å²	39	26.2 Å²	26.2	26%	0.264	14%	0.139	S	C	.	.	H	α-helix	trans	-61.2	-29.4	177.6	-72.3	0	0	0	0	112.9	Y88 S179 L180	Y88-C183 HydrophobicContact CD2-CB 4.06Å; Y88-C183 HydrophobicContact CE2-CB 3.58Å; S179-C183 PolarHBondContact O-N 3.31Å; S179-C183 PolarHBondContact O-SG 3.01Å; L180-C183 PolarHBondContact O-N 2.85Å
184	L	70	Confident	69.6	Low	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.4	176.5	-68.4	172.8	0	0	0	114	M87 Y88 I91 G106 I109 L180 L181 T182 L186	M87-L184 HydrophobicContact CB-CD1 4Å; Y88-L184 HydrophobicContact CD2-CG 4.44Å; I91-L184 HydrophobicContact CB-CD2 4.03Å; I91-L184 HydrophobicContact CD1-CD2 4.05Å; I91-L184 HydrophobicContact CG2-CD2 4.1Å; G106-L184 VanDerWaalsContact CA-O 3.28Å; G106-L184 WeakPolarHBondContact CA-O 3.42Å; G106-L184 PolarHBondContact N-O 3.43Å; I109-L184 HydrophobicContact CD1-CB 4.28Å; I109-L184 HydrophobicContact CD1-CD2 4.11Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-L184 VanDerWaalsContact O-N 3.11Å; L181-L184 PolarHBondContact O-N 3.31Å; T182-L184 PolarHBondContact O-N 3.3Å; L184-L186 HydrophobicContact CB-CB 4.43Å; L184-L186 HydrophobicContact CB-CD1 3.9Å; L184-L186 HydrophobicContact CB-CG 3.96Å; L184-L186 HydrophobicContact CD1-CD1 4.15Å; L184-L186 PolarHBondContact O-N 3.43Å
185	G	67.5	Low	69.5	Low	15 Å²	15	25.1 Å²	25.1	16%	0.155	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	17	-174.8	0	0	0	0	0	114.3	L181 T182	L181-G185 PolarHBondContact O-N 3.42Å; T182-G185 PolarHBondContact O-N 2.92Å
186	L	70.2	Confident	69.5	Low	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.			trans	-98.5	-5.2	-174.6	-67.7	176.7	0	0	0	114	M87 G106 I109 V110 L181 L184 P189 I190	M87-L186 HydrophobicContact CE-CD1 4.42Å; G106-L186 WeakPolarHBondContact O-CD2 3.14Å; I109-L186 HydrophobicContact CB-CD1 4.42Å; I109-L186 HydrophobicContact CB-CD2 3.99Å; I109-L186 HydrophobicContact CD1-CD1 4.16Å; I109-L186 HydrophobicContact CD1-CG 4.38Å; I109-L186 HydrophobicContact CG2-CD1 3.74Å; I109-L186 HydrophobicContact CG2-CD2 3.9Å; I109-L186 HydrophobicContact CG2-CG 4.35Å; V110-L186 HydrophobicContact CG2-CD2 3.65Å; L181-L186 HydrophobicContact CD2-CB 4.06Å; L181-L186 HydrophobicContact CD2-CD1 4.21Å; L181-L186 PolarHBondContact O-N 3.47Å; L184-L186 HydrophobicContact CB-CB 4.43Å; L184-L186 HydrophobicContact CB-CD1 3.9Å; L184-L186 HydrophobicContact CB-CG 3.96Å; L184-L186 HydrophobicContact CD1-CD1 4.15Å; L184-L186 PolarHBondContact O-N 3.43Å; L186-P189 WeakPolarHBondContact O-CD 3.04Å; L186-I190 HydrophobicContact CB-CD1 4.23Å; L186-I190 HydrophobicContact CD2-CD1 4.02Å; L186-I190 WeakPolarHBondContact O-CB 3.15Å; L186-I190 PolarHBondContact O-N 3.49Å
187	L	67.5	Low	69.5	Low	15 Å²	15	19.2 Å²	19.2	8%	0.079	12%	0.117	C	C	.	.	I	π-helix	trans	-62.9	-51.6	-179.4	-158	88.8	0	0	0	111.5	N178 L181 L191 L192 F240 F243	N178-L187 HydrophobicContact CB-CD1 4.36Å; L181-L187 HydrophobicContact CB-CD1 4.18Å; L181-L187 PolarHBondContact O-N 2.85Å; L187-L191 HydrophobicContact CD1-CD1 3.41Å; L187-L191 VanDerWaalsContact CD1-CD1 3.41Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 WeakPolarHBondContact O-CA 3.26Å; L187-L191 VanDerWaalsContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CB 3.06Å; L187-L191 PolarHBondContact O-N 2.67Å; L187-L192 PolarHBondContact O-N 3.02Å; L187-F240 VanDerWaalsContact CD2-O 3.31Å; L187-F240 WeakPolarHBondContact CD2-O 3.38Å; L187-F243 HydrophobicContact CD2-CB 3.65Å; L187-F243 HydrophobicContact CD2-CD2 3.83Å; L187-F243 HydrophobicContact CD2-CG 4.07Å
188	K	64.2	Low	69.5	Low	64 Å²	64	19.5 Å²	19.5	28%	0.278	12%	0.119	S	C	.	.	I	π-helix	trans	-65.8	-49.6	-179.4	-63.9	176.9	-179.4	177.4	0	113.9	E103 I190 L192 D244	E103-K188 IonicContact OE1-NZ 3.97Å; E103-K188 PolarHBondContact OE1-NZ 3.08Å; E103-K188 VanDerWaalsContact OE1-NZ 3.09Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.29Å; K188-L192 WeakPolarHBondContact O-CB 3.28Å; K188-D244 WeakPolarHBondContact CE-OD1 3.32Å; K188-D244 IonicContact NZ-OD1 2.59Å; K188-D244 PolarHBondContact NZ-OD1 3.37Å
189	P	65.2	Low	69.6	Low	24 Å²	24	19.5 Å²	19.5	16%	0.156	12%	0.119	C	C	.	.	I	π-helix	trans	-70.3	-29.2	-171.5	-19	33	0	0	0	113.5	V110 L186	V110-P189 HydrophobicContact CG2-CB 4.05Å; V110-P189 HydrophobicContact CG2-CG 4.48Å; L186-P189 WeakPolarHBondContact O-CD 3.04Å
190	I	67.1	Low	70.1	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.114	C	C	.	.	I	π-helix	trans	-108.9	-51	-171.4	-53.7	-177.1	0	0	0	111	V110 L114 M117 F121 L125 L186 K188 C194	V110-I190 HydrophobicContact CG2-CD1 4.36Å; V110-I190 HydrophobicContact CG2-CG1 4.38Å; L114-I190 HydrophobicContact CD1-CD1 3.37Å; M117-I190 HydrophobicContact CE-CD1 3.83Å; M117-I190 HydrophobicContact CE-CG1 3.9Å; M117-I190 HydrophobicContact CE-CG2 4.45Å; M117-I190 HydrophobicContact SD-CG2 4.28Å; F121-I190 HydrophobicContact CE1-CD1 4.47Å; F121-I190 HydrophobicContact CE1-CG2 4.35Å; L125-I190 HydrophobicContact CD2-CG2 4.01Å; L186-I190 HydrophobicContact CB-CD1 4.23Å; L186-I190 HydrophobicContact CD2-CD1 4.02Å; L186-I190 WeakPolarHBondContact O-CB 3.15Å; L186-I190 PolarHBondContact O-N 3.49Å; K188-I190 VanDerWaalsContact C-N 3.33Å; K188-I190 PolarHBondContact O-N 3.29Å; I190-C194 WeakPolarHBondContact O-CB 3.49Å; I190-C194 PolarHBondContact O-SG 3.18Å
191	L	66.3	Low	70.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-83.1	-33	-168	-76.8	164.1	0	0	0	113.6	L125 Y129 L181 L187 C194 S195 F240	L125-L191 HydrophobicContact CD2-CD2 3.35Å; L125-L191 HydrophobicContact CD2-CG 4.04Å; L125-L191 HydrophobicContact CG-CD2 4.16Å; Y129-L191 HydrophobicContact CD2-CD2 3.82Å; Y129-L191 HydrophobicContact CE1-CD2 4.29Å; Y129-L191 HydrophobicContact CE2-CD2 3.1Å; Y129-L191 HydrophobicContact CE2-CG 4.48Å; Y129-L191 WeakPolarHBondContact OH-CD1 3.46Å; Y129-L191 WeakPolarHBondContact OH-CD2 3.38Å; L181-L191 HydrophobicContact CB-CD1 4.13Å; L181-L191 HydrophobicContact CD1-CD1 3.31Å; L181-L191 HydrophobicContact CD1-CG 4.19Å; L181-L191 HydrophobicContact CG-CD1 4.33Å; L187-L191 HydrophobicContact CD1-CD1 3.41Å; L187-L191 VanDerWaalsContact CD1-CD1 3.41Å; L187-L191 HydrophobicContact CG-CD1 4.12Å; L187-L191 WeakPolarHBondContact O-CA 3.26Å; L187-L191 VanDerWaalsContact O-CB 3.25Å; L187-L191 WeakPolarHBondContact O-CB 3.06Å; L187-L191 PolarHBondContact O-N 2.67Å; L191-C194 PolarHBondContact O-N 2.81Å; L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.49Å; L191-S195 PolarHBondContact O-N 2.87Å; L191-S195 PolarHBondContact O-OG 2.98Å; L191-F240 HydrophobicContact CB-CD1 3.89Å; L191-F240 HydrophobicContact CB-CE1 3.98Å; L191-F240 HydrophobicContact CD2-CE1 3.95Å; L191-F240 HydrophobicContact CG-CE1 4.49Å
192	L	66.7	Low	70.6	Confident	39 Å²	39	22.9 Å²	22.9	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-45.5	179.5	-169	73.1	0	0	0	112.3	L187 K188 C194 S195 V196 W241	L187-L192 PolarHBondContact O-N 3.02Å; K188-L192 WeakPolarHBondContact O-CB 3.28Å; L192-C194 PolarHBondContact O-N 3.4Å; L192-S195 PolarHBondContact O-N 3.33Å; L192-S195 PolarHBondContact O-OG 2.87Å; L192-V196 WeakPolarHBondContact O-CG2 3.38Å; L192-V196 PolarHBondContact O-N 2.88Å; L192-V196 VanDerWaalsContact O-N 3.15Å; L192-W241 HydrophobicContact CD1-CH2 4.33Å; L192-W241 HydrophobicContact CD1-CZ2 3.53Å
193	P	67	Low	71.1	Confident	26 Å²	26	21.9 Å²	21.9	17%	0.169	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-34.2	177.3	-22.7	39.5	0	0	0	112	F11 W17 S197	F11-P193 HydrophobicContact CE1-CB 3.61Å; F11-P193 HydrophobicContact CZ-CB 3.47Å; F11-P193 VanDerWaalsContact CZ-CB 3.47Å; F11-P193 WeakPolarHBondContact CZ-O 3.49Å; W17-P193 HydrophobicContact CE3-CB 4.08Å; W17-P193 HydrophobicContact CE3-CG 3.99Å; W17-P193 HydrophobicContact CZ3-CB 4.03Å; W17-P193 HydrophobicContact CZ3-CG 3.78Å; P193-S197 WeakPolarHBondContact O-CB 3.43Å; P193-S197 PolarHBondContact O-N 3.39Å
194	C	69.2	Low	71.8	Confident	10 Å²	10	22.4 Å²	22.4	7%	0.068	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-43.5	173.7	-70.3	0	0	0	0	112.2	L122 N126 I190 L191 L192 S197 L198	L122-C194 WeakPolarHBondContact CD1-SG 3.49Å; N126-C194 WeakPolarHBondContact OD1-CB 3Å; I190-C194 WeakPolarHBondContact O-CB 3.49Å; I190-C194 PolarHBondContact O-SG 3.18Å; L191-C194 PolarHBondContact O-N 2.81Å; L192-C194 PolarHBondContact O-N 3.4Å; C194-S197 PolarHBondContact O-N 2.66Å; C194-L198 VanDerWaalsContact O-CB 3.29Å; C194-L198 WeakPolarHBondContact O-CB 3.29Å; C194-L198 PolarHBondContact O-N 3.12Å
195	S	69.7	Low	72.3	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-68.8	-39.9	-177.5	67.4	0	0	0	0	112	L191 L192 L198 A199	L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.49Å; L191-S195 PolarHBondContact O-N 2.87Å; L191-S195 PolarHBondContact O-OG 2.98Å; L192-S195 PolarHBondContact O-N 3.33Å; L192-S195 PolarHBondContact O-OG 2.87Å; S195-L198 PolarHBondContact O-N 3.1Å; S195-A199 VanDerWaalsContact O-CB 3.23Å; S195-A199 WeakPolarHBondContact O-CB 3.03Å; S195-A199 PolarHBondContact O-N 3.48Å
196	V	70.8	Confident	72.9	Confident	44 Å²	44	28 Å²	28	27%	0.267	15%	0.145	S	C	.	.	H	α-helix	trans	-65	-44	172.9	176.2	0	0	0	0	110.9	L192 L198 A199 I200	L192-V196 WeakPolarHBondContact O-CG2 3.38Å; L192-V196 PolarHBondContact O-N 2.88Å; L192-V196 VanDerWaalsContact O-N 3.15Å; V196-L198 VanDerWaalsContact C-N 3.28Å; V196-L198 PolarHBondContact O-N 3.01Å; V196-A199 PolarHBondContact O-N 2.63Å; V196-I200 HydrophobicContact CG1-CD1 3.88Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 WeakPolarHBondContact O-CB 3.4Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.28Å; V196-I200 PolarHBondContact O-N 3.34Å
197	S	72.4	Confident	73.5	Confident	29 Å²	29	28.1 Å²	28.1	20%	0.203	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-37	176.4	179.2	0	0	0	0	112.5	P193 C194 K201	P193-S197 WeakPolarHBondContact O-CB 3.43Å; P193-S197 PolarHBondContact O-N 3.39Å; C194-S197 PolarHBondContact O-N 2.66Å; S197-K201 WeakPolarHBondContact O-CG 3.26Å; S197-K201 PolarHBondContact O-N 3.14Å; S197-K201 VanDerWaalsContact O-N 3.15Å
198	L	74.8	Confident	74.3	Confident	10 Å²	10	31.5 Å²	31.5	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-72.6	-44.3	179.2	-167.9	128.4	0	0	0	111.2	N126 L130 L133 C194 S195 V196 I200 K201 C202 W235	N126-L198 HydrophobicContact CB-CD1 4.38Å; N126-L198 WeakPolarHBondContact O-CD1 3.38Å; L130-L198 HydrophobicContact CB-CD1 3.89Å; L130-L198 HydrophobicContact CD1-CD1 4.03Å; L130-L198 HydrophobicContact CD1-CD2 4Å; L130-L198 HydrophobicContact CD1-CG 3.96Å; L133-L198 HydrophobicContact CB-CD2 4.47Å; L133-L198 HydrophobicContact CD2-CD2 3.93Å; C194-L198 VanDerWaalsContact O-CB 3.29Å; C194-L198 WeakPolarHBondContact O-CB 3.29Å; C194-L198 PolarHBondContact O-N 3.12Å; S195-L198 PolarHBondContact O-N 3.1Å; V196-L198 VanDerWaalsContact C-N 3.28Å; V196-L198 PolarHBondContact O-N 3.01Å; L198-I200 VanDerWaalsContact C-N 3.32Å; L198-I200 PolarHBondContact O-N 3.39Å; L198-K201 PolarHBondContact O-N 2.83Å; L198-C202 PolarHBondContact O-N 3.5Å; L198-C202 PolarHBondContact O-SG 3.43Å; L198-C202 VanDerWaalsContact O-SG 3.34Å; L198-W235 HydrophobicContact CD2-CH2 3.72Å; L198-W235 HydrophobicContact CD2-CZ2 4.34Å; L198-W235 HydrophobicContact CD2-CZ3 4.33Å
199	A	75.8	Confident	75	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-47.7	173	0	0	0	0	0	111.4	S195 V196 K201 C202 I203 L232	S195-A199 VanDerWaalsContact O-CB 3.23Å; S195-A199 WeakPolarHBondContact O-CB 3.03Å; S195-A199 PolarHBondContact O-N 3.48Å; V196-A199 PolarHBondContact O-N 2.63Å; A199-K201 PolarHBondContact O-N 3.19Å; A199-C202 PolarHBondContact O-N 3.02Å; A199-I203 WeakPolarHBondContact O-CB 3.42Å; A199-I203 VanDerWaalsContact O-CG1 3.25Å; A199-I203 WeakPolarHBondContact O-CG1 3.01Å; A199-I203 PolarHBondContact O-N 3.13Å; A199-L232 HydrophobicContact CB-CD1 4.1Å; A199-L232 HydrophobicContact CB-CD2 4.13Å; A199-L232 HydrophobicContact CB-CG 4.48Å
200	I	80.3	Confident	75.7	Confident	47 Å²	47	29 Å²	29	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-59.4	-46.7	176.6	-72.7	168.1	0	0	0	111.5	V196 L198 C202 I203 D204 Y275	V196-I200 HydrophobicContact CG1-CD1 3.88Å; V196-I200 HydrophobicContact CG1-CG1 4.49Å; V196-I200 WeakPolarHBondContact O-CB 3.4Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.28Å; V196-I200 PolarHBondContact O-N 3.34Å; L198-I200 VanDerWaalsContact C-N 3.32Å; L198-I200 PolarHBondContact O-N 3.39Å; I200-C202 PolarHBondContact O-N 3.02Å; I200-I203 WeakPolarHBondContact O-CB 3.05Å; I200-I203 PolarHBondContact O-N 2.99Å; I200-D204 PolarHBondContact O-N 3.25Å; I200-Y275 HydrophobicContact CG1-CE1 4.4Å; I200-Y275 HydrophobicContact CG2-CE1 3.82Å; I200-Y275 HydrophobicContact CG2-CE2 4.32Å; I200-Y275 VanDerWaalsContact CG2-OH 3.24Å; I200-Y275 WeakPolarHBondContact CG2-OH 3.44Å
201	K	77.8	Confident	76.4	Confident	86 Å²	86	29.6 Å²	29.6	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-60.4	-44.6	178	-76.7	178.5	-178.6	179	0	112.3	S197 L198 A199 I203 D204 E205	S197-K201 WeakPolarHBondContact O-CG 3.26Å; S197-K201 PolarHBondContact O-N 3.14Å; S197-K201 VanDerWaalsContact O-N 3.15Å; L198-K201 PolarHBondContact O-N 2.83Å; A199-K201 PolarHBondContact O-N 3.19Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.99Å; K201-D204 PolarHBondContact O-N 2.79Å; K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 2.86Å
202	C	79.7	Confident	77	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-37.9	178.1	-65.9	0	0	0	0	111.8	L130 L133 L198 A199 I200 E205 K206 W227	L130-C202 VanDerWaalsContact CD1-SG 3.53Å; L133-C202 HydrophobicContact CD2-CB 4.06Å; L133-C202 VanDerWaalsContact CD2-SG 3.58Å; L198-C202 PolarHBondContact O-N 3.5Å; L198-C202 PolarHBondContact O-SG 3.43Å; L198-C202 VanDerWaalsContact O-SG 3.34Å; A199-C202 PolarHBondContact O-N 3.02Å; I200-C202 PolarHBondContact O-N 3.02Å; C202-E205 PolarHBondContact O-N 3.08Å; C202-K206 WeakPolarHBondContact O-CG 3.36Å; C202-K206 PolarHBondContact O-N 3.03Å; C202-W227 HydrophobicContact CB-CH2 4.09Å
203	I	82.6	Confident	77.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-49.2	172.3	-72	164.5	0	0	0	110.2	A199 I200 K201 E205 K206 I207 W227 V228 L232 L272 Y275 V276	A199-I203 WeakPolarHBondContact O-CB 3.42Å; A199-I203 VanDerWaalsContact O-CG1 3.25Å; A199-I203 WeakPolarHBondContact O-CG1 3.01Å; A199-I203 PolarHBondContact O-N 3.13Å; I200-I203 WeakPolarHBondContact O-CB 3.05Å; I200-I203 PolarHBondContact O-N 2.99Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.99Å; I203-E205 VanDerWaalsContact C-N 3.35Å; I203-E205 PolarHBondContact O-N 3.26Å; I203-K206 PolarHBondContact O-N 3.27Å; I203-I207 HydrophobicContact CG2-CD1 3.67Å; I203-I207 HydrophobicContact CG2-CG1 4.26Å; I203-I207 VanDerWaalsContact O-CG1 3.32Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.25Å; I203-W227 HydrophobicContact CG1-CZ3 4.06Å; I203-V228 HydrophobicContact CD1-CG2 4.4Å; I203-V228 HydrophobicContact CG1-CG2 4.12Å; I203-L232 HydrophobicContact CD1-CD2 3.79Å; I203-L232 HydrophobicContact CG1-CD2 3.97Å; I203-L272 HydrophobicContact CD1-CD2 4.14Å; I203-Y275 HydrophobicContact CG2-CD1 4.12Å; I203-Y275 HydrophobicContact CG2-CE1 4.2Å; I203-V276 HydrophobicContact CD1-CG2 4.19Å; I203-V276 HydrophobicContact CG1-CG2 4.37Å; I203-V276 HydrophobicContact CG2-CG2 3.61Å
204	D	82.7	Confident	77.5	Confident	50 Å²	50	33.2 Å²	33.2	27%	0.267	18%	0.179	S	C	.	.	H	α-helix	trans	-62.5	-40.5	-178.9	-70.5	-19.8	0	0	0	112	I200 K201 I207 N208 Y275	I200-D204 PolarHBondContact O-N 3.25Å; K201-D204 PolarHBondContact O-N 2.79Å; D204-I207 PolarHBondContact O-N 2.91Å; D204-N208 WeakPolarHBondContact O-CB 3.37Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.47Å; D204-N208 PolarHBondContact O-ND2 3.35Å; D204-Y275 WeakPolarHBondContact OD1-CE1 3.44Å; D204-Y275 PolarHBondContact OD1-OH 3.33Å; D204-Y275 PolarHBondContact OD2-OH 3.33Å
205	E	81	Confident	77.4	Confident	101 Å²	101	36.5 Å²	36.5	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-46.2	174.2	-75.4	173.6	-178	0	0	111.7	K201 C202 I203 N208 F209	K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 2.86Å; C202-E205 PolarHBondContact O-N 3.08Å; I203-E205 VanDerWaalsContact C-N 3.35Å; I203-E205 PolarHBondContact O-N 3.26Å; E205-N208 PolarHBondContact O-N 2.98Å; E205-F209 PolarHBondContact O-N 2.78Å
206	K	79.2	Confident	77.2	Confident	32 Å²	32	39.1 Å²	39.1	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-36.9	176.8	-70.4	-162.8	-179.9	-153.4	0	112.5	D137 C202 I203 F209 L210 L224 W227	D137-K206 IonicContact OD1-NZ 3.43Å; D137-K206 PolarHBondContact OD1-NZ 3.26Å; D137-K206 WeakPolarHBondContact OD2-CE 3.45Å; D137-K206 IonicContact OD2-NZ 3.14Å; D137-K206 PolarHBondContact OD2-NZ 3.48Å; C202-K206 WeakPolarHBondContact O-CG 3.36Å; C202-K206 PolarHBondContact O-N 3.03Å; I203-K206 PolarHBondContact O-N 3.27Å; K206-F209 PolarHBondContact O-N 3.12Å; K206-L210 WeakPolarHBondContact O-CB 3.33Å; K206-L210 PolarHBondContact O-N 3.03Å; K206-L224 HydrophobicContact CB-CD1 3.65Å; K206-L224 HydrophobicContact CD-CD1 4.19Å; K206-W227 HydrophobicContact CD-CD2 3.89Å; K206-W227 HydrophobicContact CD-CE3 3.76Å; K206-W227 HydrophobicContact CD-CH2 4.07Å; K206-W227 HydrophobicContact CD-CZ2 4.17Å; K206-W227 HydrophobicContact CD-CZ3 3.86Å; K206-W227 VanDerWaalsContact NZ-CD1 3.35Å
207	I	84.3	Confident	76.5	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-49.1	172.7	-72.2	170.9	0	0	0	109.9	I203 D204 F209 L210 V211 L224 N279 L280 C283	I203-I207 HydrophobicContact CG2-CD1 3.67Å; I203-I207 HydrophobicContact CG2-CG1 4.26Å; I203-I207 VanDerWaalsContact O-CG1 3.32Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.25Å; D204-I207 PolarHBondContact O-N 2.91Å; I207-F209 VanDerWaalsContact C-N 3.3Å; I207-F209 PolarHBondContact O-N 3.38Å; I207-L210 PolarHBondContact O-N 3.37Å; I207-L210 VanDerWaalsContact O-N 3.15Å; I207-V211 HydrophobicContact CG2-CG2 4.2Å; I207-V211 WeakPolarHBondContact O-CB 3.47Å; I207-V211 VanDerWaalsContact O-CG2 3.25Å; I207-V211 WeakPolarHBondContact O-CG2 3.42Å; I207-V211 PolarHBondContact O-N 2.95Å; I207-L224 HydrophobicContact CG1-CD2 3.65Å; I207-N279 HydrophobicContact CD1-CB 4.02Å; I207-L280 HydrophobicContact CG2-CD1 4.13Å; I207-C283 HydrophobicContact CG2-CB 4.43Å
208	N	83.6	Confident	75.7	Confident	85 Å²	85	48 Å²	48	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-39.9	180	-75.1	-43.4	0	0	0	112.2	D204 E205 V211 S212	D204-N208 WeakPolarHBondContact O-CB 3.37Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.47Å; D204-N208 PolarHBondContact O-ND2 3.35Å; E205-N208 PolarHBondContact O-N 2.98Å; N208-V211 PolarHBondContact O-N 3.06Å; N208-S212 WeakPolarHBondContact O-CB 3.44Å; N208-S212 PolarHBondContact O-N 2.98Å; N208-S212 PolarHBondContact O-OG 2.86Å
209	F	79.9	Confident	75.2	Confident	33 Å²	33	50.7 Å²	50.7	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-36.8	175.6	-179.2	-103.8	0	0	0	113.1	Y141 E205 K206 I207 S212 N213 R219	Y141-F209 AromaticContact CD1-CD1 3.56Å; Y141-F209 HydrophobicContact CD1-CD1 3.56Å; Y141-F209 AromaticContact CD1-CE1 3.56Å; Y141-F209 HydrophobicContact CD1-CE1 3.56Å; Y141-F209 HydrophobicContact CE1-CD1 4.03Å; Y141-F209 HydrophobicContact CE1-CE1 4.07Å; Y141-F209 HydrophobicContact CG-CE1 4.3Å; E205-F209 PolarHBondContact O-N 2.78Å; K206-F209 PolarHBondContact O-N 3.12Å; I207-F209 VanDerWaalsContact C-N 3.3Å; I207-F209 PolarHBondContact O-N 3.38Å; F209-S212 WeakPolarHBondContact CA-OG 3.33Å; F209-S212 PolarHBondContact O-OG 3.4Å; F209-N213 WeakPolarHBondContact CE2-ND2 3.48Å; F209-N213 WeakPolarHBondContact O-CB 3.47Å; F209-N213 PolarHBondContact O-N 3.17Å; F209-N213 PolarHBondContact O-ND2 3.22Å; F209-R219 VanDerWaalsContact CE1-CZ 3.46Å
210	L	79.4	Confident	74.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-42.8	175.1	-164	145.9	0	0	0	110.6	K206 I207 S212 N213 L214 L224 L280	K206-L210 WeakPolarHBondContact O-CB 3.33Å; K206-L210 PolarHBondContact O-N 3.03Å; I207-L210 PolarHBondContact O-N 3.37Å; I207-L210 VanDerWaalsContact O-N 3.15Å; L210-S212 PolarHBondContact O-N 3.3Å; L210-N213 CarbonylContact O-C 3.59Å; L210-N213 PolarHBondContact O-N 3.4Å; L210-N213 VanDerWaalsContact O-N 3.17Å; L210-L214 HydrophobicContact CD2-CD2 3.99Å; L210-L214 PolarHBondContact O-N 3.49Å; L210-L224 HydrophobicContact CD1-CB 4.18Å; L210-L280 HydrophobicContact CD2-CD1 4.2Å
211	V	80.3	Confident	74.3	Confident	17 Å²	17	50.4 Å²	50.4	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-34.5	178.3	172.6	0	0	0	0	112.5	I207 N208 N213 L214 L280 C283	I207-V211 HydrophobicContact CG2-CG2 4.2Å; I207-V211 WeakPolarHBondContact O-CB 3.47Å; I207-V211 VanDerWaalsContact O-CG2 3.25Å; I207-V211 WeakPolarHBondContact O-CG2 3.42Å; I207-V211 PolarHBondContact O-N 2.95Å; N208-V211 PolarHBondContact O-N 3.06Å; V211-N213 VanDerWaalsContact C-N 3.25Å; V211-N213 PolarHBondContact O-N 3.41Å; V211-L214 HydrophobicContact CB-CD1 4.47Å; V211-L214 HydrophobicContact CG1-CD1 4.16Å; V211-L214 WeakPolarHBondContact O-CD1 3.35Å; V211-L214 WeakPolarHBondContact O-CG 3.46Å; V211-L280 HydrophobicContact CG2-CD1 4.15Å; V211-C283 HydrophobicContact CG2-CB 3.81Å
212	S	79.5	Confident	74	Confident	83 Å²	83	48.3 Å²	48.3	58%	0.58	27%	0.268	S	S	*	.	H	α-helix	trans	-72	-21.1	175	62.3	0	0	0	0	113	N208 F209 L210	N208-S212 WeakPolarHBondContact O-CB 3.44Å; N208-S212 PolarHBondContact O-N 2.98Å; N208-S212 PolarHBondContact O-OG 2.86Å; F209-S212 WeakPolarHBondContact CA-OG 3.33Å; F209-S212 PolarHBondContact O-OG 3.4Å; L210-S212 PolarHBondContact O-N 3.3Å
213	N	74.8	Confident	73.7	Confident	44 Å²	44	51.2 Å²	51.2	24%	0.235	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	25.6	-175.1	-66.3	-67.4	0	0	0	114.2	F209 L210 V211 Y215 T216 R219	F209-N213 WeakPolarHBondContact CE2-ND2 3.48Å; F209-N213 WeakPolarHBondContact O-CB 3.47Å; F209-N213 PolarHBondContact O-N 3.17Å; F209-N213 PolarHBondContact O-ND2 3.22Å; L210-N213 CarbonylContact O-C 3.59Å; L210-N213 PolarHBondContact O-N 3.4Å; L210-N213 VanDerWaalsContact O-N 3.17Å; V211-N213 VanDerWaalsContact C-N 3.25Å; V211-N213 PolarHBondContact O-N 3.41Å; N213-Y215 PolarHBondContact O-N 3.01Å; N213-T216 HydrophobicContact CB-CG2 4.47Å; N213-T216 PolarHBondContact O-N 3Å; N213-T216 PolarHBondContact O-OG1 2.65Å; N213-R219 PolarHBondContact ND2-NH1 2.86Å
214	L	69	Low	73.6	Confident	14 Å²	14	51.5 Å²	51.5	7%	0.073	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.1	-172.7	-70.2	166	0	0	0	115.6	L210 V211 L284 L291 A301	L210-L214 HydrophobicContact CD2-CD2 3.99Å; L210-L214 PolarHBondContact O-N 3.49Å; V211-L214 HydrophobicContact CB-CD1 4.47Å; V211-L214 HydrophobicContact CG1-CD1 4.16Å; V211-L214 WeakPolarHBondContact O-CD1 3.35Å; V211-L214 WeakPolarHBondContact O-CG 3.46Å; L214-L284 HydrophobicContact CD1-CD2 3.86Å; L214-L284 HydrophobicContact CD2-CD2 3.64Å; L214-L284 HydrophobicContact CG-CD2 4.43Å; L214-L291 HydrophobicContact CD1-CD2 4.1Å; L214-A301 HydrophobicContact CB-CB 4.26Å; L214-A301 HydrophobicContact CD2-CB 3.85Å; L214-A301 HydrophobicContact CG-CB 4.42Å
215	Y	67	Low	73.3	Confident	78 Å²	78	49.5 Å²	49.5	31%	0.306	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	0.9	-177.6	-49.1	-75.3	0	0	0	113.1	N213 K294 E297	N213-Y215 PolarHBondContact O-N 3.01Å; Y215-K294 HydrophobicContact CD1-CD 4.2Å; Y215-K294 HydrophobicContact CE1-CB 3.88Å; Y215-K294 HydrophobicContact CE1-CD 3.54Å; Y215-K294 HydrophobicContact CE1-CG 4.34Å; Y215-K294 HydrophobicContact CE2-CD 4.16Å; Y215-E297 HydrophobicContact CD1-CB 4.15Å
216	T	65.4	Low	73.2	Confident	57 Å²	57	49 Å²	49	35%	0.35	27%	0.274	S	S	.	.	S	Bend	trans	-83.4	131.7	178.3	54.1	0	0	0	0	111.5	N213 G218 R219	N213-T216 HydrophobicContact CB-CG2 4.47Å; N213-T216 PolarHBondContact O-N 3Å; N213-T216 PolarHBondContact O-OG1 2.65Å; T216-G218 PolarHBondContact O-N 2.9Å; T216-R219 WeakPolarHBondContact OG1-CD 3.46Å
217	Q	58	Low	73.3	Confident	196 Å²	196	48.7 Å²	48.7	92%	0.916	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	135.9	179	-71.4	-176.8	-9.9	0	0	111
218	G	55.1	Low	73	Confident	62 Å²	62	48.6 Å²	48.6	64%	0.639	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-7.5	174.4	0	0	0	0	0	115.8	T216 I223	T216-G218 PolarHBondContact O-N 2.9Å; G218-I223 WeakPolarHBondContact O-CD1 3.33Å
219	R	63.3	Low	72.5	Confident	68 Å²	68	46.7 Å²	46.7	26%	0.257	26%	0.26	S	S	.	.			trans	-92.1	109.3	174.2	-66.1	-162.9	173.3	170.3	-3.3	110.4	F209 N213 T216	F209-R219 VanDerWaalsContact CE1-CZ 3.46Å; N213-R219 PolarHBondContact ND2-NH1 2.86Å; T216-R219 WeakPolarHBondContact OG1-CD 3.46Å
220	S	65.2	Low	72.2	Confident	39 Å²	39	51.5 Å²	51.5	27%	0.273	28%	0.283	S	S	.	.			trans	-124.3	156.1	177	66.2	0	0	0	0	110.7	A222 I223	S220-A222 PolarHBondContact O-N 3.46Å; S220-A222 WeakPolarHBondContact OG-CB 3.36Å; S220-A222 PolarHBondContact OG-N 3.21Å; S220-I223 PolarHBondContact O-N 3.29Å; S220-I223 VanDerWaalsContact O-N 3.12Å
221	S	73.1	Confident	71.9	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-22	171.4	66.6	0	0	0	0	113.4	I223 L224 L225 D304 M307	S221-I223 VanDerWaalsContact C-N 3.28Å; S221-I223 PolarHBondContact O-N 3.47Å; S221-L224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.27Å; S221-L225 PolarHBondContact O-N 3.15Å; S221-D304 VanDerWaalsContact CB-OD1 3.3Å; S221-D304 WeakPolarHBondContact CB-OD1 3.26Å; S221-D304 WeakPolarHBondContact CB-OD2 3.41Å; S221-D304 PolarHBondContact N-OD1 3.35Å; S221-D304 PolarHBondContact N-OD2 3.44Å; S221-D304 PolarHBondContact OG-OD1 3.35Å; S221-M307 WeakPolarHBondContact OG-CE 3.48Å
222	A	71.3	Confident	71.8	Confident	41 Å²	41	51.8 Å²	51.8	34%	0.339	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-36.1	177	0	0	0	0	0	112.6	S220 L225 N226	S220-A222 PolarHBondContact O-N 3.46Å; S220-A222 WeakPolarHBondContact OG-CB 3.36Å; S220-A222 PolarHBondContact OG-N 3.21Å; A222-L225 PolarHBondContact O-N 3.23Å; A222-N226 WeakPolarHBondContact O-CB 3.44Å; A222-N226 PolarHBondContact O-N 3.46Å; A222-N226 PolarHBondContact O-OD1 3.3Å
223	I	73.4	Confident	71.4	Confident	68 Å²	68	47.9 Å²	47.9	35%	0.349	26%	0.263	S	S	.	.	H	α-helix	trans	-68.5	-42.1	178.1	-58.9	166	0	0	0	110.3	Y141 G218 S220 S221 W227	Y141-I223 HydrophobicContact CD2-CG2 4.38Å; Y141-I223 HydrophobicContact CE2-CB 4.34Å; Y141-I223 HydrophobicContact CE2-CD1 4.42Å; Y141-I223 HydrophobicContact CE2-CG2 3.45Å; Y141-I223 VanDerWaalsContact CE2-CG2 3.45Å; Y141-I223 WeakPolarHBondContact OH-CD1 3.42Å; G218-I223 WeakPolarHBondContact O-CD1 3.33Å; S220-I223 PolarHBondContact O-N 3.29Å; S220-I223 VanDerWaalsContact O-N 3.12Å; S221-I223 VanDerWaalsContact C-N 3.28Å; S221-I223 PolarHBondContact O-N 3.47Å; I223-W227 WeakPolarHBondContact O-CB 3.44Å; I223-W227 PolarHBondContact O-N 3.38Å
224	L	79.6	Confident	71.3	Confident	5 Å²	5	50 Å²	50	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-44.9	175.3	177.7	62.8	0	0	0	111.3	K206 I207 L210 S221 W227 V228 V276	K206-L224 HydrophobicContact CB-CD1 3.65Å; K206-L224 HydrophobicContact CD-CD1 4.19Å; I207-L224 HydrophobicContact CG1-CD2 3.65Å; L210-L224 HydrophobicContact CD1-CB 4.18Å; S221-L224 PolarHBondContact O-N 3.48Å; L224-W227 HydrophobicContact CD1-CE3 4.21Å; L224-W227 PolarHBondContact O-N 3.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.27Å; L224-V276 HydrophobicContact CD2-CG1 3.75Å; L224-V276 HydrophobicContact CG-CG1 4.16Å
225	L	77.9	Confident	71.5	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-43.5	179.3	-71.8	171	0	0	0	111.8	S221 A222 W227 V228 E229 R273 V276 L277 M307	S221-L225 WeakPolarHBondContact O-CG 3.27Å; S221-L225 PolarHBondContact O-N 3.15Å; A222-L225 PolarHBondContact O-N 3.23Å; L225-W227 VanDerWaalsContact C-N 3.32Å; L225-W227 PolarHBondContact O-N 3.44Å; L225-V228 PolarHBondContact O-N 3.11Å; L225-E229 WeakPolarHBondContact O-CB 3.44Å; L225-E229 WeakPolarHBondContact O-CG 3.38Å; L225-E229 PolarHBondContact O-N 3.35Å; L225-R273 HydrophobicContact CD2-CG 4.17Å; L225-V276 HydrophobicContact CD2-CB 4.44Å; L225-V276 HydrophobicContact CD2-CG1 4Å; L225-L277 HydrophobicContact CD1-CD2 4.5Å; L225-M307 HydrophobicContact CD1-CE 4.2Å; L225-M307 HydrophobicContact CD1-SD 3.66Å
226	N	77.9	Confident	71.7	Confident	91 Å²	91	45.9 Å²	45.9	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175	-71.3	-3.8	0	0	0	111.1	A222 V228 E229 E230	A222-N226 WeakPolarHBondContact O-CB 3.44Å; A222-N226 PolarHBondContact O-N 3.46Å; A222-N226 PolarHBondContact O-OD1 3.3Å; N226-V228 VanDerWaalsContact C-N 3.31Å; N226-V228 PolarHBondContact O-N 2.94Å; N226-E229 PolarHBondContact O-N 3.48Å; N226-E230 WeakPolarHBondContact O-CB 3.19Å; N226-E230 PolarHBondContact O-N 2.97Å
227	W	80.9	Confident	71.8	Confident	26 Å²	26	43.9 Å²	43.9	10%	0.098	25%	0.245	C	C	.	.	I	π-helix	trans	-60.6	-40.4	175.4	176.2	81.7	0	0	0	112.2	D137 C202 I203 K206 I223 L224 L225 G231 L232	D137-W227 PolarHBondContact OD1-NE1 3.25Å; D137-W227 PolarHBondContact OD2-NE1 2.94Å; C202-W227 HydrophobicContact CB-CH2 4.09Å; I203-W227 HydrophobicContact CG1-CZ3 4.06Å; K206-W227 HydrophobicContact CD-CD2 3.89Å; K206-W227 HydrophobicContact CD-CE3 3.76Å; K206-W227 HydrophobicContact CD-CH2 4.07Å; K206-W227 HydrophobicContact CD-CZ2 4.17Å; K206-W227 HydrophobicContact CD-CZ3 3.86Å; K206-W227 VanDerWaalsContact NZ-CD1 3.35Å; I223-W227 WeakPolarHBondContact O-CB 3.44Å; I223-W227 PolarHBondContact O-N 3.38Å; L224-W227 HydrophobicContact CD1-CE3 4.21Å; L224-W227 PolarHBondContact O-N 3.44Å; L225-W227 VanDerWaalsContact C-N 3.32Å; L225-W227 PolarHBondContact O-N 3.44Å; W227-G231 CarbonylContact O-C 3.58Å; W227-G231 WeakPolarHBondContact O-CA 3.24Å; W227-G231 PolarHBondContact O-N 2.79Å; W227-L232 HydrophobicContact CE3-CB 4.47Å; W227-L232 HydrophobicContact CH2-CB 4.2Å; W227-L232 HydrophobicContact CH2-CD1 4.06Å; W227-L232 HydrophobicContact CH2-CD2 4.09Å; W227-L232 HydrophobicContact CH2-CG 4.35Å; W227-L232 HydrophobicContact CZ2-CB 4.32Å; W227-L232 HydrophobicContact CZ2-CD1 4.38Å; W227-L232 HydrophobicContact CZ3-CB 4.28Å; W227-L232 HydrophobicContact CZ3-CD2 3.96Å; W227-L232 PolarHBondContact O-N 2.71Å
228	V	78.3	Confident	72.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	22%	0.22	C	C	.	.	I	π-helix	trans	-67.5	-44.5	175.2	172.3	0	0	0	0	111.2	I203 L224 L225 N226 L232 T233 L272 V276	I203-V228 HydrophobicContact CD1-CG2 4.4Å; I203-V228 HydrophobicContact CG1-CG2 4.12Å; L224-V228 WeakPolarHBondContact O-CG2 3.47Å; L224-V228 PolarHBondContact O-N 3.27Å; L225-V228 PolarHBondContact O-N 3.11Å; N226-V228 VanDerWaalsContact C-N 3.31Å; N226-V228 PolarHBondContact O-N 2.94Å; V228-L232 HydrophobicContact CG1-CD2 4.47Å; V228-L232 HydrophobicContact CG2-CD2 4.41Å; V228-T233 PolarHBondContact O-N 3.38Å; V228-T233 PolarHBondContact O-OG1 3.43Å; V228-L272 HydrophobicContact CG1-CB 4.16Å; V228-V276 HydrophobicContact CG1-CG2 4.45Å; V228-V276 HydrophobicContact CG2-CG2 3.89Å
229	E	73.5	Confident	72.6	Confident	45 Å²	45	34.8 Å²	34.8	21%	0.21	19%	0.19	C	C	.	.	I	π-helix	trans	-72.6	-31	-174.6	-74.1	-179.1	-172	0	0	113.7	L225 N226 T233 K269 R273	L225-E229 WeakPolarHBondContact O-CB 3.44Å; L225-E229 WeakPolarHBondContact O-CG 3.38Å; L225-E229 PolarHBondContact O-N 3.35Å; N226-E229 PolarHBondContact O-N 3.48Å; E229-T233 VanDerWaalsContact O-CB 3.3Å; E229-T233 WeakPolarHBondContact O-CB 3.17Å; E229-T233 PolarHBondContact O-OG1 3.05Å; E229-K269 WeakPolarHBondContact O-CE 3.43Å; E229-K269 PolarHBondContact O-NZ 3.49Å; E229-R273 IonicContact OE1-CZ 2.8Å; E229-R273 IonicContact OE1-NE 3.19Å; E229-R273 PolarHBondContact OE1-NE 3.22Å; E229-R273 VanDerWaalsContact OE1-NE 3.17Å; E229-R273 IonicContact OE1-NH1 2.68Å; E229-R273 IonicContact OE1-NH2 3.2Å; E229-R273 PolarHBondContact OE1-NH2 3.46Å
230	E	73.3	Confident	72.6	Confident	133 Å²	133	32.1 Å²	32.1	62%	0.621	18%	0.18	S	C	*	.	I	π-helix	trans	-112.2	-63.6	-178.4	-62.9	-174.7	175.2	0	0	111.4	N226 N234	N226-E230 WeakPolarHBondContact O-CB 3.19Å; N226-E230 PolarHBondContact O-N 2.97Å; E230-N234 WeakPolarHBondContact O-CB 3.48Å; E230-N234 PolarHBondContact O-N 2.81Å; E230-N234 PolarHBondContact O-ND2 2.82Å
231	G	73.8	Confident	72.1	Confident	26 Å²	26	31.7 Å²	31.7	27%	0.268	17%	0.173	S	C	.	.	I	π-helix	trans	-61.6	-59.9	-173.2	0	0	0	0	0	113.4	W227 T233 N234 W235	W227-G231 CarbonylContact O-C 3.58Å; W227-G231 WeakPolarHBondContact O-CA 3.24Å; W227-G231 PolarHBondContact O-N 2.79Å; G231-T233 PolarHBondContact O-N 3.33Å; G231-N234 PolarHBondContact O-N 3Å; G231-W235 WeakPolarHBondContact O-CB 3.27Å; G231-W235 PolarHBondContact O-N 2.79Å
232	L	76.7	Confident	71.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-66.8	-39.1	-178.4	-175.5	64.5	0	0	0	111.8	L133 A199 I203 W227 V228 W235 L236	L133-L232 HydrophobicContact CD1-CD1 3.89Å; L133-L232 HydrophobicContact CD2-CD1 4.12Å; A199-L232 HydrophobicContact CB-CD1 4.1Å; A199-L232 HydrophobicContact CB-CD2 4.13Å; A199-L232 HydrophobicContact CB-CG 4.48Å; I203-L232 HydrophobicContact CD1-CD2 3.79Å; I203-L232 HydrophobicContact CG1-CD2 3.97Å; W227-L232 HydrophobicContact CE3-CB 4.47Å; W227-L232 HydrophobicContact CH2-CB 4.2Å; W227-L232 HydrophobicContact CH2-CD1 4.06Å; W227-L232 HydrophobicContact CH2-CD2 4.09Å; W227-L232 HydrophobicContact CH2-CG 4.35Å; W227-L232 HydrophobicContact CZ2-CB 4.32Å; W227-L232 HydrophobicContact CZ2-CD1 4.38Å; W227-L232 HydrophobicContact CZ3-CB 4.28Å; W227-L232 HydrophobicContact CZ3-CD2 3.96Å; W227-L232 PolarHBondContact O-N 2.71Å; V228-L232 HydrophobicContact CG1-CD2 4.47Å; V228-L232 HydrophobicContact CG2-CD2 4.41Å; L232-W235 HydrophobicContact CD1-CE3 4.09Å; L232-W235 PolarHBondContact O-N 2.98Å; L232-L236 HydrophobicContact CG-CD1 4.3Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.42Å
233	T	72.9	Confident	70.3	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-46.8	177.5	-67	0	0	0	0	111.1	V228 E229 G231 W235 L236 I237 F264	V228-T233 PolarHBondContact O-N 3.38Å; V228-T233 PolarHBondContact O-OG1 3.43Å; E229-T233 VanDerWaalsContact O-CB 3.3Å; E229-T233 WeakPolarHBondContact O-CB 3.17Å; E229-T233 PolarHBondContact O-OG1 3.05Å; G231-T233 PolarHBondContact O-N 3.33Å; T233-W235 VanDerWaalsContact C-N 3.33Å; T233-W235 PolarHBondContact O-N 3.16Å; T233-L236 PolarHBondContact O-N 3.05Å; T233-I237 HydrophobicContact CG2-CD1 3.67Å; T233-I237 HydrophobicContact CG2-CG1 4.45Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.41Å; T233-I237 PolarHBondContact O-N 2.7Å; T233-F264 HydrophobicContact CG2-CD1 3.58Å; T233-F264 HydrophobicContact CG2-CE1 3.53Å
234	N	71.5	Confident	69	Low	89 Å²	89	34 Å²	34	48%	0.476	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-40.3	176	-72.2	-23.8	0	0	0	111.6	E230 G231 L236 I237 T238	E230-N234 WeakPolarHBondContact O-CB 3.48Å; E230-N234 PolarHBondContact O-N 2.81Å; E230-N234 PolarHBondContact O-ND2 2.82Å; G231-N234 PolarHBondContact O-N 3Å; N234-L236 PolarHBondContact O-N 3.1Å; N234-I237 PolarHBondContact O-N 3.02Å; N234-T238 WeakPolarHBondContact O-CB 3.36Å; N234-T238 VanDerWaalsContact O-CG2 3.23Å; N234-T238 WeakPolarHBondContact O-CG2 3.42Å; N234-T238 PolarHBondContact O-N 2.86Å; N234-T238 PolarHBondContact O-OG1 3.04Å
235	W	74.2	Confident	67.5	Low	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-43.1	174.8	178.1	84.1	0	0	0	112.3	Y129 L133 L198 G231 L232 T233 T238 N239 F240	Y129-W235 HydrophobicContact CD1-CZ2 4.22Å; Y129-W235 WeakPolarHBondContact O-CZ2 3.44Å; L133-W235 VanDerWaalsContact CA-NE1 3.34Å; L133-W235 HydrophobicContact CB-CD2 4.12Å; L133-W235 HydrophobicContact CB-CG 4.46Å; L133-W235 HydrophobicContact CB-CH2 4.48Å; L133-W235 HydrophobicContact CB-CZ2 3.89Å; L133-W235 HydrophobicContact CD1-CB 3.84Å; L133-W235 HydrophobicContact CD1-CD2 3.51Å; L133-W235 HydrophobicContact CD1-CE3 3.87Å; L133-W235 HydrophobicContact CD1-CG 3.46Å; L133-W235 VanDerWaalsContact CD1-CG 3.46Å; L133-W235 HydrophobicContact CG-CD2 4.32Å; L198-W235 HydrophobicContact CD2-CH2 3.72Å; L198-W235 HydrophobicContact CD2-CZ2 4.34Å; L198-W235 HydrophobicContact CD2-CZ3 4.33Å; G231-W235 WeakPolarHBondContact O-CB 3.27Å; G231-W235 PolarHBondContact O-N 2.79Å; L232-W235 HydrophobicContact CD1-CE3 4.09Å; L232-W235 PolarHBondContact O-N 2.98Å; T233-W235 VanDerWaalsContact C-N 3.33Å; T233-W235 PolarHBondContact O-N 3.16Å; W235-T238 WeakPolarHBondContact CA-OG1 3.5Å; W235-T238 PolarHBondContact O-OG1 3.41Å; W235-N239 PolarHBondContact NE1-ND2 3.21Å; W235-N239 VanDerWaalsContact NE1-ND2 3.18Å; W235-N239 WeakPolarHBondContact O-CB 3.35Å; W235-N239 PolarHBondContact O-N 3.5Å; W235-N239 VanDerWaalsContact O-N 3.1Å; W235-N239 PolarHBondContact O-ND2 2.9Å; W235-F240 HydrophobicContact CD2-CE2 4.43Å; W235-F240 HydrophobicContact CE3-CE2 4.13Å; W235-F240 AromaticContact CH2-CE2 3.38Å; W235-F240 HydrophobicContact CH2-CE2 3.38Å; W235-F240 AromaticContact CH2-CZ 3.69Å; W235-F240 HydrophobicContact CH2-CZ 3.69Å; W235-F240 AromaticContact CZ2-CE2 3.7Å; W235-F240 HydrophobicContact CZ2-CE2 3.7Å; W235-F240 AromaticContact CZ2-CZ 3.98Å; W235-F240 HydrophobicContact CZ2-CZ 3.98Å; W235-F240 AromaticContact CZ3-CE2 3.62Å; W235-F240 HydrophobicContact CZ3-CE2 3.62Å; W235-F240 HydrophobicContact CZ3-CZ 4.33Å
236	L	71.3	Confident	65.9	Low	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-48.6	176.5	-74.8	170.2	0	0	0	110.7	L232 T233 N234 T238 N239 F240 W241 F264 L272	L232-L236 HydrophobicContact CG-CD1 4.3Å; L232-L236 WeakPolarHBondContact O-CG 3.42Å; L232-L236 PolarHBondContact O-N 3.42Å; T233-L236 PolarHBondContact O-N 3.05Å; N234-L236 PolarHBondContact O-N 3.1Å; L236-T238 PolarHBondContact O-N 3.34Å; L236-N239 PolarHBondContact O-N 3.37Å; L236-F240 HydrophobicContact CD2-CD2 4.08Å; L236-F240 HydrophobicContact CD2-CE2 4.3Å; L236-F240 PolarHBondContact O-N 3.46Å; L236-W241 VanDerWaalsContact O-CD1 3.3Å; L236-F264 HydrophobicContact CB-CE2 4.11Å; L236-F264 HydrophobicContact CB-CZ 4.04Å; L236-F264 HydrophobicContact CD1-CE2 4.08Å; L236-F264 HydrophobicContact CD1-CZ 3.54Å; L236-F264 HydrophobicContact CG-CZ 4.43Å; L236-L272 HydrophobicContact CD1-CD1 3.85Å
237	I	67.2	Low	64.3	Low	16 Å²	16	37.9 Å²	37.9	8%	0.082	21%	0.206	C	C	.	.	I	π-helix	trans	-58.7	-49.6	-179.7	-69.8	165.5	0	0	0	111.2	T233 N234 N239 W241 S242 V260 T261 F264	T233-I237 HydrophobicContact CG2-CD1 3.67Å; T233-I237 HydrophobicContact CG2-CG1 4.45Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.41Å; T233-I237 PolarHBondContact O-N 2.7Å; N234-I237 PolarHBondContact O-N 3.02Å; I237-N239 PolarHBondContact O-N 2.82Å; I237-W241 PolarHBondContact O-N 3.37Å; I237-S242 PolarHBondContact O-N 3.46Å; I237-V260 HydrophobicContact CG2-CG1 4.04Å; I237-T261 HydrophobicContact CD1-CG2 4.03Å; I237-F264 HydrophobicContact CD1-CB 4.4Å; I237-F264 HydrophobicContact CD1-CD1 4.27Å; I237-F264 HydrophobicContact CD1-CG 4.45Å; I237-F264 HydrophobicContact CG1-CB 4.19Å; I237-F264 HydrophobicContact CG1-CD1 4.25Å; I237-F264 HydrophobicContact CG1-CG 4.09Å
238	T	66.2	Low	62.5	Low	66 Å²	66	41.4 Å²	41.4	41%	0.405	23%	0.226	S	C	.	.	I	π-helix	trans	-66	-37.7	-176.6	49.8	0	0	0	0	113.1	N234 W235 L236	N234-T238 WeakPolarHBondContact O-CB 3.36Å; N234-T238 VanDerWaalsContact O-CG2 3.23Å; N234-T238 WeakPolarHBondContact O-CG2 3.42Å; N234-T238 PolarHBondContact O-N 2.86Å; N234-T238 PolarHBondContact O-OG1 3.04Å; W235-T238 WeakPolarHBondContact CA-OG1 3.5Å; W235-T238 PolarHBondContact O-OG1 3.41Å; L236-T238 PolarHBondContact O-N 3.34Å
239	N	63.4	Low	60.9	Low	1 Å²	1	47 Å²	47	1%	0.005	26%	0.262	C	S	.	.	I	π-helix	trans	-92.6	-28.3	-173.6	-72.8	-73.7	0	0	0	114.5	V174 N178 W235 L236 I237	V174-N239 WeakPolarHBondContact CG1-OD1 3.49Å; N178-N239 VanDerWaalsContact CG-O 3.23Å; N178-N239 PolarHBondContact ND2-O 2.72Å; N178-N239 PolarHBondContact ND2-OD1 3.13Å; W235-N239 PolarHBondContact NE1-ND2 3.21Å; W235-N239 VanDerWaalsContact NE1-ND2 3.18Å; W235-N239 WeakPolarHBondContact O-CB 3.35Å; W235-N239 PolarHBondContact O-N 3.5Å; W235-N239 VanDerWaalsContact O-N 3.1Å; W235-N239 PolarHBondContact O-ND2 2.9Å; L236-N239 PolarHBondContact O-N 3.37Å; I237-N239 PolarHBondContact O-N 2.82Å
240	F	62.2	Low	59.7	Low	11 Å²	11	49.1 Å²	49.1	5%	0.048	27%	0.271	C	S	.	.	I	π-helix	trans	-128.9	-30.7	-168.2	-52.7	-85.3	0	0	0	114.9	Y129 L187 L191 W235 L236	Y129-F240 AromaticContact CD1-CE1 3.77Å; Y129-F240 HydrophobicContact CD1-CE1 3.77Å; Y129-F240 HydrophobicContact CD1-CE2 4.23Å; Y129-F240 AromaticContact CD1-CZ 3.27Å; Y129-F240 HydrophobicContact CD1-CZ 3.27Å; Y129-F240 AromaticContact CE1-CE1 3.6Å; Y129-F240 HydrophobicContact CE1-CE1 3.6Å; Y129-F240 AromaticContact CE1-CZ 3.57Å; Y129-F240 HydrophobicContact CE1-CZ 3.57Å; Y129-F240 HydrophobicContact CG-CE1 4.31Å; Y129-F240 AromaticContact CG-CZ 3.87Å; Y129-F240 HydrophobicContact CG-CZ 3.87Å; L187-F240 VanDerWaalsContact CD2-O 3.31Å; L187-F240 WeakPolarHBondContact CD2-O 3.38Å; L191-F240 HydrophobicContact CB-CD1 3.89Å; L191-F240 HydrophobicContact CB-CE1 3.98Å; L191-F240 HydrophobicContact CD2-CE1 3.95Å; L191-F240 HydrophobicContact CG-CE1 4.49Å; W235-F240 HydrophobicContact CD2-CE2 4.43Å; W235-F240 HydrophobicContact CE3-CE2 4.13Å; W235-F240 AromaticContact CH2-CE2 3.38Å; W235-F240 HydrophobicContact CH2-CE2 3.38Å; W235-F240 AromaticContact CH2-CZ 3.69Å; W235-F240 HydrophobicContact CH2-CZ 3.69Å; W235-F240 AromaticContact CZ2-CE2 3.7Å; W235-F240 HydrophobicContact CZ2-CE2 3.7Å; W235-F240 AromaticContact CZ2-CZ 3.98Å; W235-F240 HydrophobicContact CZ2-CZ 3.98Å; W235-F240 AromaticContact CZ3-CE2 3.62Å; W235-F240 HydrophobicContact CZ3-CE2 3.62Å; W235-F240 HydrophobicContact CZ3-CZ 4.33Å; L236-F240 HydrophobicContact CD2-CD2 4.08Å; L236-F240 HydrophobicContact CD2-CE2 4.3Å; L236-F240 PolarHBondContact O-N 3.46Å
241	W	55.4	Low	58.4	Low	30 Å²	30	51.8 Å²	51.8	11%	0.114	28%	0.283	C	S	.	.	I	π-helix	trans	-104.6	-15.6	-166.5	-64	70.9	0	0	0	114.6	L192 L236 I237 F243 D244 V260 F264 Q268	L192-W241 HydrophobicContact CD1-CH2 4.33Å; L192-W241 HydrophobicContact CD1-CZ2 3.53Å; L236-W241 VanDerWaalsContact O-CD1 3.3Å; I237-W241 PolarHBondContact O-N 3.37Å; W241-F243 PolarHBondContact O-N 2.71Å; W241-D244 PolarHBondContact O-N 3.26Å; W241-V260 VanDerWaalsContact C-CG1 3.44Å; W241-V260 HydrophobicContact CB-CG1 3.63Å; W241-V260 VanDerWaalsContact O-CG1 3.26Å; W241-V260 WeakPolarHBondContact O-CG1 3.32Å; W241-V260 WeakPolarHBondContact O-CG2 3.38Å; W241-F264 AromaticContact CD2-CD2 3.67Å; W241-F264 HydrophobicContact CD2-CD2 3.67Å; W241-F264 HydrophobicContact CD2-CE2 4.24Å; W241-F264 AromaticContact CE2-CD2 3.55Å; W241-F264 AromaticContact CE2-CE2 3.65Å; W241-F264 HydrophobicContact CE3-CD2 4.02Å; W241-F264 HydrophobicContact CG-CD2 4.1Å; W241-F264 HydrophobicContact CH2-CD2 4.22Å; W241-F264 AromaticContact CZ2-CD2 3.84Å; W241-F264 HydrophobicContact CZ2-CD2 3.84Å; W241-F264 AromaticContact CZ2-CE2 3.8Å; W241-F264 HydrophobicContact CZ2-CE2 3.8Å; W241-F264 HydrophobicContact CZ3-CD2 4.29Å; W241-F264 AromaticContact NE1-CD2 3.9Å; W241-F264 AromaticContact NE1-CE2 3.71Å; W241-Q268 HydrophobicContact CH2-CG 3.48Å; W241-Q268 VanDerWaalsContact CH2-CG 3.48Å; W241-Q268 HydrophobicContact CZ2-CG 3.77Å; W241-Q268 HydrophobicContact CZ3-CG 4.39Å
242	S	54.4	Low	57.4	Low	42 Å²	42	52.6 Å²	52.6	29%	0.294	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.8	174.1	55.1	0	0	0	0	114	I237	I237-S242 PolarHBondContact O-N 3.46Å
243	F	53	Low	56	Low	64 Å²	64	57.3 Å²	57.3	28%	0.281	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-4.7	-173.3	-60.4	-74.2	0	0	0	114.9	N178 T182 L187 W241	N178-F243 HydrophobicContact CB-CE2 3.87Å; N178-F243 HydrophobicContact CB-CZ 4.28Å; T182-F243 HydrophobicContact CG2-CB 3.8Å; T182-F243 HydrophobicContact CG2-CD1 3.83Å; T182-F243 HydrophobicContact CG2-CG 4.04Å; T182-F243 WeakPolarHBondContact OG1-CG 3.39Å; L187-F243 HydrophobicContact CD2-CB 3.65Å; L187-F243 HydrophobicContact CD2-CD2 3.83Å; L187-F243 HydrophobicContact CD2-CG 4.07Å; W241-F243 PolarHBondContact O-N 2.71Å
244	D	45.3	Very low	54.9	Low	53 Å²	53	65.8 Å²	65.8	28%	0.283	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.8	-176.8	-153.2	-0.9	0	0	0	113.7	K188 W241	K188-D244 WeakPolarHBondContact CE-OD1 3.32Å; K188-D244 IonicContact NZ-OD1 2.59Å; K188-D244 PolarHBondContact NZ-OD1 3.37Å; W241-D244 PolarHBondContact O-N 3.26Å
245	I	47.7	Very low	54.3	Low	13 Å²	13	64.2 Å²	64.2	7%	0.067	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	7.6	-172.9	-53.2	-173.3	0	0	0	112.6	E247 L248 L256 R259 V260	I245-E247 PolarHBondContact O-N 2.76Å; I245-L248 HydrophobicContact CG2-CB 4.26Å; I245-L248 HydrophobicContact CG2-CD1 4.08Å; I245-L248 PolarHBondContact O-N 3.37Å; I245-L248 VanDerWaalsContact O-N 3.16Å; I245-L256 HydrophobicContact CB-CD1 3.48Å; I245-L256 VanDerWaalsContact CB-CD1 3.48Å; I245-L256 HydrophobicContact CG2-CD1 3.42Å; I245-L256 VanDerWaalsContact CG2-CD1 3.42Å; I245-R259 HydrophobicContact CD1-CB 4.12Å; I245-V260 HydrophobicContact CB-CG2 4.32Å; I245-V260 HydrophobicContact CD1-CB 4.27Å; I245-V260 HydrophobicContact CD1-CG2 3.47Å; I245-V260 VanDerWaalsContact CD1-CG2 3.47Å; I245-V260 HydrophobicContact CG1-CG2 3.87Å
246	A	45.7	Very low	53.3	Low	60 Å²	60	65.5 Å²	65.5	50%	0.496	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-1.9	179.8	0	0	0	0	0	115.1
247	E	43.4	Very low	52.5	Low	114 Å²	114	67.8 Å²	67.8	53%	0.533	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.4	177	-61.9	-168.8	168.5	0	0	114.1	F100 I245	F100-E247 VanDerWaalsContact CE1-CD 3.45Å; F100-E247 HydrophobicContact CE1-CG 4.01Å; F100-E247 WeakPolarHBondContact CE1-OE1 3.3Å; F100-E247 HydrophobicContact CZ-CB 4.07Å; F100-E247 HydrophobicContact CZ-CG 3.78Å; I245-E247 PolarHBondContact O-N 2.76Å
248	L	43.1	Very low	52.3	Low	99 Å²	99	73.3 Å²	73.3	52%	0.518	39%	0.392	S	S	.	.	S	Bend	trans	-103.7	134.5	177.1	-76	157.1	0	0	0	110	I245 F250	I245-L248 HydrophobicContact CG2-CB 4.26Å; I245-L248 HydrophobicContact CG2-CD1 4.08Å; I245-L248 PolarHBondContact O-N 3.37Å; I245-L248 VanDerWaalsContact O-N 3.16Å; L248-F250 WeakPolarHBondContact O-CD1 3.23Å; L248-F250 PolarHBondContact O-N 2.89Å
249	P	44.5	Very low	51.9	Low	119 Å²	119	74.7 Å²	74.7	77%	0.773	39%	0.39	S	S	*	.			trans	-61.2	127.2	172.6	24.2	-30.1	0	0	0	109.5
250	F	49.7	Very low	51.7	Low	89 Å²	89	74.9 Å²	74.9	39%	0.39	39%	0.391	S	S	.	.			trans	-125.8	142.1	177.1	58.1	-94.8	0	0	0	109.7	L248 S252 L256	L248-F250 WeakPolarHBondContact O-CD1 3.23Å; L248-F250 PolarHBondContact O-N 2.89Å; F250-S252 WeakPolarHBondContact CD2-O 3.42Å; F250-L256 HydrophobicContact CB-CB 4.47Å; F250-L256 HydrophobicContact CD1-CB 4.4Å; F250-L256 HydrophobicContact CD1-CD1 3.9Å; F250-L256 HydrophobicContact CD1-CD2 4.24Å; F250-L256 HydrophobicContact CD1-CG 4.42Å; F250-L256 HydrophobicContact CD2-CB 4.16Å; F250-L256 HydrophobicContact CE1-CD1 4.26Å; F250-L256 HydrophobicContact CE1-CD2 3.87Å; F250-L256 HydrophobicContact CE2-CD2 4.31Å; F250-L256 HydrophobicContact CG-CB 4.1Å; F250-L256 HydrophobicContact CG-CD1 4.35Å; F250-L256 HydrophobicContact CZ-CD2 3.91Å
251	E	45.3	Very low	51.6	Low	189 Å²	189	76.5 Å²	76.5	88%	0.883	40%	0.402	S	S	*	.	S	Bend	trans	-82.3	-23.8	-175.1	-63.5	-175.6	170.7	0	0	112.2	E255	E251-E255 PolarHBondContact N-OE2 3.35Å
252	S	51.6	Low	52.1	Low	43 Å²	43	79.9 Å²	79.9	30%	0.301	42%	0.419	S	S	.	.			trans	-152.2	154.2	176.3	72.6	0	0	0	0	113.4	F250 F254 E255 L256	F250-S252 WeakPolarHBondContact CD2-O 3.42Å; S252-F254 PolarHBondContact O-N 3.29Å; S252-E255 PolarHBondContact O-N 3.26Å; S252-E255 PolarHBondContact OG-N 3.4Å; S252-L256 PolarHBondContact O-N 3.31Å
253	P	48.8	Very low	52.4	Low	99 Å²	99	84.2 Å²	84.2	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-56.4	-28.8	172.5	-25.1	34.1	0	0	0	113.8	A257	P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.07Å
254	F	50.2	Low	52.8	Low	180 Å²	180	81.2 Å²	81.2	79%	0.789	42%	0.416	S	S	*	.	H	α-helix	trans	-67.3	-39.1	175.6	-78.6	-83.7	0	0	0	112.3	S252 A257 K258	S252-F254 PolarHBondContact O-N 3.29Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-K258 WeakPolarHBondContact O-CB 3.44Å; F254-K258 PolarHBondContact O-N 3.43Å
255	E	57.9	Low	53.6	Low	57 Å²	57	81.6 Å²	81.6	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-69.5	-38.5	178.3	-164.7	-177.3	177	0	0	111.8	E251 S252 K258 R259	E251-E255 PolarHBondContact N-OE2 3.35Å; S252-E255 PolarHBondContact O-N 3.26Å; S252-E255 PolarHBondContact OG-N 3.4Å; E255-K258 PolarHBondContact O-N 3.44Å; E255-R259 WeakPolarHBondContact O-CG 3.33Å; E255-R259 PolarHBondContact O-N 2.92Å; E255-R259 IonicContact OE1-CZ 2.66Å; E255-R259 IonicContact OE1-NE 3.27Å; E255-R259 IonicContact OE1-NH2 3.09Å; E255-R259 PolarHBondContact OE1-NH2 2.94Å
256	L	52.2	Low	54.4	Low	27 Å²	27	84.2 Å²	84.2	14%	0.141	44%	0.441	C	S	.	.	H	α-helix	trans	-60.7	-50	173.3	-176.2	68	0	0	0	111.2	I245 F250 S252 K258 R259 V260	I245-L256 HydrophobicContact CB-CD1 3.48Å; I245-L256 VanDerWaalsContact CB-CD1 3.48Å; I245-L256 HydrophobicContact CG2-CD1 3.42Å; I245-L256 VanDerWaalsContact CG2-CD1 3.42Å; F250-L256 HydrophobicContact CB-CB 4.47Å; F250-L256 HydrophobicContact CD1-CB 4.4Å; F250-L256 HydrophobicContact CD1-CD1 3.9Å; F250-L256 HydrophobicContact CD1-CD2 4.24Å; F250-L256 HydrophobicContact CD1-CG 4.42Å; F250-L256 HydrophobicContact CD2-CB 4.16Å; F250-L256 HydrophobicContact CE1-CD1 4.26Å; F250-L256 HydrophobicContact CE1-CD2 3.87Å; F250-L256 HydrophobicContact CE2-CD2 4.31Å; F250-L256 HydrophobicContact CG-CB 4.1Å; F250-L256 HydrophobicContact CG-CD1 4.35Å; F250-L256 HydrophobicContact CZ-CD2 3.91Å; S252-L256 PolarHBondContact O-N 3.31Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.3Å; L256-R259 PolarHBondContact O-N 2.6Å; L256-V260 VanDerWaalsContact O-CG2 3.3Å; L256-V260 WeakPolarHBondContact O-CG2 3.47Å; L256-V260 PolarHBondContact O-N 3.13Å
257	A	54.6	Low	55.3	Low	52 Å²	52	85.5 Å²	85.5	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-58	-43.5	177.2	0	0	0	0	0	111.4	P253 F254 V260 T261	P253-A257 PolarHBondContact O-N 3.21Å; P253-A257 VanDerWaalsContact O-N 3.07Å; F254-A257 PolarHBondContact O-N 3.31Å; A257-V260 PolarHBondContact O-N 3.37Å; A257-T261 PolarHBondContact O-N 3.02Å; A257-T261 PolarHBondContact O-OG1 3.49Å
258	K	63.1	Low	56.6	Low	132 Å²	132	82.6 Å²	82.6	57%	0.574	43%	0.426	S	S	*	.	H	α-helix	trans	-60.2	-48	177.3	-170.1	-176	-178.7	-162.3	0	112.4	F254 E255 L256 V260 T261 E262	F254-K258 WeakPolarHBondContact O-CB 3.44Å; F254-K258 PolarHBondContact O-N 3.43Å; E255-K258 PolarHBondContact O-N 3.44Å; L256-K258 VanDerWaalsContact C-N 3.3Å; L256-K258 PolarHBondContact O-N 3.3Å; K258-V260 VanDerWaalsContact C-N 3.34Å; K258-V260 PolarHBondContact O-N 3.2Å; K258-T261 PolarHBondContact O-N 3.27Å; K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 IonicContact NZ-OE1 3.12Å; K258-E262 WeakPolarHBondContact O-CG 3.49Å; K258-E262 PolarHBondContact O-N 3.26Å
259	R	59.5	Low	58	Low	95 Å²	95	80.3 Å²	80.3	36%	0.358	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-35.8	-179.9	-71	-178.1	-172.8	-167.9	5.3	112.8	I245 E255 L256 R263	I245-R259 HydrophobicContact CD1-CB 4.12Å; E255-R259 WeakPolarHBondContact O-CG 3.33Å; E255-R259 PolarHBondContact O-N 2.92Å; E255-R259 IonicContact OE1-CZ 2.66Å; E255-R259 IonicContact OE1-NE 3.27Å; E255-R259 IonicContact OE1-NH2 3.09Å; E255-R259 PolarHBondContact OE1-NH2 2.94Å; L256-R259 PolarHBondContact O-N 2.6Å; R259-R263 WeakPolarHBondContact O-CB 3.36Å; R259-R263 PolarHBondContact O-N 3.4Å; R259-R263 VanDerWaalsContact O-N 3.07Å
260	V	57.8	Low	59.5	Low	5 Å²	5	77.4 Å²	77.4	3%	0.03	39%	0.393	C	S	.	.	H	α-helix	trans	-63.2	-48.3	173.6	172.1	0	0	0	0	110.3	I237 W241 I245 L256 A257 K258 R263 F264	I237-V260 HydrophobicContact CG2-CG1 4.04Å; W241-V260 VanDerWaalsContact C-CG1 3.44Å; W241-V260 HydrophobicContact CB-CG1 3.63Å; W241-V260 VanDerWaalsContact O-CG1 3.26Å; W241-V260 WeakPolarHBondContact O-CG1 3.32Å; W241-V260 WeakPolarHBondContact O-CG2 3.38Å; I245-V260 HydrophobicContact CB-CG2 4.32Å; I245-V260 HydrophobicContact CD1-CB 4.27Å; I245-V260 HydrophobicContact CD1-CG2 3.47Å; I245-V260 VanDerWaalsContact CD1-CG2 3.47Å; I245-V260 HydrophobicContact CG1-CG2 3.87Å; L256-V260 VanDerWaalsContact O-CG2 3.3Å; L256-V260 WeakPolarHBondContact O-CG2 3.47Å; L256-V260 PolarHBondContact O-N 3.13Å; A257-V260 PolarHBondContact O-N 3.37Å; K258-V260 VanDerWaalsContact C-N 3.34Å; K258-V260 PolarHBondContact O-N 3.2Å; V260-R263 PolarHBondContact O-N 3.33Å; V260-F264 PolarHBondContact O-N 2.8Å
261	T	61.1	Low	60.9	Low	45 Å²	45	77.4 Å²	77.4	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-47.5	177.2	-58.1	0	0	0	0	111.4	I237 A257 K258 R263 F264 D265	I237-T261 HydrophobicContact CD1-CG2 4.03Å; A257-T261 PolarHBondContact O-N 3.02Å; A257-T261 PolarHBondContact O-OG1 3.49Å; K258-T261 PolarHBondContact O-N 3.27Å; T261-R263 VanDerWaalsContact C-N 3.34Å; T261-R263 PolarHBondContact O-N 2.97Å; T261-F264 PolarHBondContact O-N 3.41Å; T261-D265 WeakPolarHBondContact CG2-OD2 3.38Å; T261-D265 WeakPolarHBondContact O-CB 3.4Å; T261-D265 PolarHBondContact O-N 2.85Å
262	E	65.1	Low	62.5	Low	100 Å²	100	69 Å²	69	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-42.2	178.3	-75	171.6	175.2	0	0	112.3	K258 A266	K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 IonicContact NZ-OE1 3.12Å; K258-E262 WeakPolarHBondContact O-CG 3.49Å; K258-E262 PolarHBondContact O-N 3.26Å; E262-A266 VanDerWaalsContact O-CB 3.26Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 2.69Å
263	R	59.8	Low	64	Low	133 Å²	133	70.4 Å²	70.4	50%	0.502	36%	0.357	S	S	.	.	H	α-helix	trans	-70.8	-33.8	179.5	-164.7	176.1	-172.7	-179.3	1.8	112.6	R259 V260 T261 N267	R259-R263 WeakPolarHBondContact O-CB 3.36Å; R259-R263 PolarHBondContact O-N 3.4Å; R259-R263 VanDerWaalsContact O-N 3.07Å; V260-R263 PolarHBondContact O-N 3.33Å; T261-R263 VanDerWaalsContact C-N 3.34Å; T261-R263 PolarHBondContact O-N 2.97Å; R263-N267 PolarHBondContact O-N 3.4Å; R263-N267 PolarHBondContact O-ND2 3.05Å; R263-N267 VanDerWaalsContact O-ND2 3.17Å
264	F	61.4	Low	65.7	Low	2 Å²	2	70.8 Å²	70.8	1%	0.009	35%	0.35	C	S	.	.	H	α-helix	trans	-72.6	-45.6	175.8	-172.4	-88.1	0	0	0	111.5	T233 L236 I237 W241 V260 T261 A266 N267 Q268 K269 L272	T233-F264 HydrophobicContact CG2-CD1 3.58Å; T233-F264 HydrophobicContact CG2-CE1 3.53Å; L236-F264 HydrophobicContact CB-CE2 4.11Å; L236-F264 HydrophobicContact CB-CZ 4.04Å; L236-F264 HydrophobicContact CD1-CE2 4.08Å; L236-F264 HydrophobicContact CD1-CZ 3.54Å; L236-F264 HydrophobicContact CG-CZ 4.43Å; I237-F264 HydrophobicContact CD1-CB 4.4Å; I237-F264 HydrophobicContact CD1-CD1 4.27Å; I237-F264 HydrophobicContact CD1-CG 4.45Å; I237-F264 HydrophobicContact CG1-CB 4.19Å; I237-F264 HydrophobicContact CG1-CD1 4.25Å; I237-F264 HydrophobicContact CG1-CG 4.09Å; W241-F264 AromaticContact CD2-CD2 3.67Å; W241-F264 HydrophobicContact CD2-CD2 3.67Å; W241-F264 HydrophobicContact CD2-CE2 4.24Å; W241-F264 AromaticContact CE2-CD2 3.55Å; W241-F264 AromaticContact CE2-CE2 3.65Å; W241-F264 HydrophobicContact CE3-CD2 4.02Å; W241-F264 HydrophobicContact CG-CD2 4.1Å; W241-F264 HydrophobicContact CH2-CD2 4.22Å; W241-F264 AromaticContact CZ2-CD2 3.84Å; W241-F264 HydrophobicContact CZ2-CD2 3.84Å; W241-F264 AromaticContact CZ2-CE2 3.8Å; W241-F264 HydrophobicContact CZ2-CE2 3.8Å; W241-F264 HydrophobicContact CZ3-CD2 4.29Å; W241-F264 AromaticContact NE1-CD2 3.9Å; W241-F264 AromaticContact NE1-CE2 3.71Å; V260-F264 PolarHBondContact O-N 2.8Å; T261-F264 PolarHBondContact O-N 3.41Å; F264-A266 PolarHBondContact O-N 3.1Å; F264-N267 PolarHBondContact O-N 3.14Å; F264-Q268 HydrophobicContact CD2-CB 3.86Å; F264-Q268 HydrophobicContact CD2-CG 4.26Å; F264-Q268 HydrophobicContact CE1-CB 4.28Å; F264-Q268 HydrophobicContact CE2-CB 3.52Å; F264-Q268 HydrophobicContact CE2-CG 4.09Å; F264-Q268 HydrophobicContact CG-CB 4.38Å; F264-Q268 HydrophobicContact CZ-CB 3.74Å; F264-Q268 PolarHBondContact O-N 3.35Å; F264-K269 HydrophobicContact CD1-CB 4.41Å; F264-K269 HydrophobicContact CE1-CB 4.27Å; F264-K269 PolarHBondContact O-N 3.19Å; F264-L272 HydrophobicContact CZ-CD1 4.22Å
265	D	63.9	Low	67.3	Low	61 Å²	61	65.6 Å²	65.6	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-35.9	175.7	-79.8	-28.5	0	0	0	111.5	T261 K269 P270	T261-D265 WeakPolarHBondContact CG2-OD2 3.38Å; T261-D265 WeakPolarHBondContact O-CB 3.4Å; T261-D265 PolarHBondContact O-N 2.85Å; D265-K269 WeakPolarHBondContact OD1-CD 3.3Å; D265-K269 IonicContact OD1-NZ 3.46Å; D265-K269 PolarHBondContact OD1-NZ 2.97Å; D265-K269 VanDerWaalsContact OD1-NZ 3.09Å; D265-P270 WeakPolarHBondContact O-CD 3.29Å
266	A	64.4	Low	68.6	Low	68 Å²	68	62.9 Å²	62.9	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-73.6	-33.5	179.4	0	0	0	0	0	114.2	E262 F264	E262-A266 VanDerWaalsContact O-CB 3.26Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 2.69Å; F264-A266 PolarHBondContact O-N 3.1Å
267	N	64.7	Low	70.2	Confident	87 Å²	87	62 Å²	62	47%	0.465	31%	0.308	S	S	.	.	H	α-helix	trans	-114.2	-47.1	-168.2	-64.4	-43.8	0	0	0	114.3	R263 F264	R263-N267 PolarHBondContact O-N 3.4Å; R263-N267 PolarHBondContact O-ND2 3.05Å; R263-N267 VanDerWaalsContact O-ND2 3.17Å; F264-N267 PolarHBondContact O-N 3.14Å
268	Q	70.1	Confident	71.8	Confident	53 Å²	53	60.7 Å²	60.7	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-102.5	-33.5	-167.3	-70.1	-67.6	-60.3	0	0	113.6	W241 F264 D271 L272	W241-Q268 HydrophobicContact CH2-CG 3.48Å; W241-Q268 VanDerWaalsContact CH2-CG 3.48Å; W241-Q268 HydrophobicContact CZ2-CG 3.77Å; W241-Q268 HydrophobicContact CZ3-CG 4.39Å; F264-Q268 HydrophobicContact CD2-CB 3.86Å; F264-Q268 HydrophobicContact CD2-CG 4.26Å; F264-Q268 HydrophobicContact CE1-CB 4.28Å; F264-Q268 HydrophobicContact CE2-CB 3.52Å; F264-Q268 HydrophobicContact CE2-CG 4.09Å; F264-Q268 HydrophobicContact CG-CB 4.38Å; F264-Q268 HydrophobicContact CZ-CB 3.74Å; F264-Q268 PolarHBondContact O-N 3.35Å; Q268-D271 PolarHBondContact O-N 2.92Å; Q268-L272 WeakPolarHBondContact O-CG 3.39Å; Q268-L272 PolarHBondContact O-N 3.22Å
269	K	71.7	Confident	73	Confident	51 Å²	51	56 Å²	56	22%	0.222	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-46	174.4	-172.5	172.1	-172.5	169.8	0	113.6	E229 F264 D265 D271 L272 R273	E229-K269 WeakPolarHBondContact O-CE 3.43Å; E229-K269 PolarHBondContact O-NZ 3.49Å; F264-K269 HydrophobicContact CD1-CB 4.41Å; F264-K269 HydrophobicContact CE1-CB 4.27Å; F264-K269 PolarHBondContact O-N 3.19Å; D265-K269 WeakPolarHBondContact OD1-CD 3.3Å; D265-K269 IonicContact OD1-NZ 3.46Å; D265-K269 PolarHBondContact OD1-NZ 2.97Å; D265-K269 VanDerWaalsContact OD1-NZ 3.09Å; K269-D271 VanDerWaalsContact C-N 3.34Å; K269-D271 PolarHBondContact O-N 2.95Å; K269-L272 PolarHBondContact O-N 3.46Å; K269-R273 WeakPolarHBondContact O-CB 3.29Å; K269-R273 PolarHBondContact O-N 2.95Å
270	P	75.6	Confident	74.4	Confident	57 Å²	57	51.6 Å²	51.6	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-39.8	175.3	21.9	-32.5	0	0	0	112.4	D265 R273 Q274	D265-P270 WeakPolarHBondContact O-CD 3.29Å; P270-R273 PolarHBondContact O-N 2.97Å; P270-Q274 WeakPolarHBondContact O-CB 3.44Å; P270-Q274 PolarHBondContact O-N 3.11Å
271	D	79.7	Confident	75.8	Confident	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-46.1	178	-68.9	-11.3	0	0	0	111.8	Q268 K269 Q274 Y275	Q268-D271 PolarHBondContact O-N 2.92Å; K269-D271 VanDerWaalsContact C-N 3.34Å; K269-D271 PolarHBondContact O-N 2.95Å; D271-Q274 PolarHBondContact O-N 3.32Å; D271-Y275 WeakPolarHBondContact O-CB 3.42Å; D271-Y275 PolarHBondContact O-N 3.43Å
272	L	79.8	Confident	77.2	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-41.8	176.6	-70.7	175.8	0	0	0	111.7	I203 V228 L236 F264 Q268 K269 Q274 Y275 V276	I203-L272 HydrophobicContact CD1-CD2 4.14Å; V228-L272 HydrophobicContact CG1-CB 4.16Å; L236-L272 HydrophobicContact CD1-CD1 3.85Å; F264-L272 HydrophobicContact CZ-CD1 4.22Å; Q268-L272 WeakPolarHBondContact O-CG 3.39Å; Q268-L272 PolarHBondContact O-N 3.22Å; K269-L272 PolarHBondContact O-N 3.46Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 3.01Å; L272-Y275 WeakPolarHBondContact O-CB 3.39Å; L272-Y275 PolarHBondContact O-N 3.17Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.44Å; L272-V276 PolarHBondContact O-N 2.99Å
273	R	82	Confident	78.3	Confident	73 Å²	73	51.8 Å²	51.8	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-44.2	175.6	-172.4	-176.4	-168.6	170.9	21.5	111.3	L225 E229 K269 P270 V276 L277	L225-R273 HydrophobicContact CD2-CG 4.17Å; E229-R273 IonicContact OE1-CZ 2.8Å; E229-R273 IonicContact OE1-NE 3.19Å; E229-R273 PolarHBondContact OE1-NE 3.22Å; E229-R273 VanDerWaalsContact OE1-NE 3.17Å; E229-R273 IonicContact OE1-NH1 2.68Å; E229-R273 IonicContact OE1-NH2 3.2Å; E229-R273 PolarHBondContact OE1-NH2 3.46Å; K269-R273 WeakPolarHBondContact O-CB 3.29Å; K269-R273 PolarHBondContact O-N 2.95Å; P270-R273 PolarHBondContact O-N 2.97Å; R273-V276 PolarHBondContact O-N 3.31Å; R273-L277 HydrophobicContact CG-CD1 4.15Å; R273-L277 VanDerWaalsContact O-CG 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 2.94Å
274	Q	84.1	Confident	79.7	Confident	107 Å²	107	45.5 Å²	45.5	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-41.9	176.9	-171.7	172.9	3.3	0	0	111	P270 D271 L272 V276 L277 V278	P270-Q274 WeakPolarHBondContact O-CB 3.44Å; P270-Q274 PolarHBondContact O-N 3.11Å; D271-Q274 PolarHBondContact O-N 3.32Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 3.01Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 PolarHBondContact O-N 2.76Å; Q274-L277 PolarHBondContact O-N 2.73Å; Q274-V278 HydrophobicContact CG-CG2 4.32Å; Q274-V278 WeakPolarHBondContact O-CB 3.47Å; Q274-V278 VanDerWaalsContact O-CG2 3.28Å; Q274-V278 WeakPolarHBondContact O-CG2 3.46Å; Q274-V278 PolarHBondContact O-N 2.82Å
275	Y	85.6	Confident	81	Confident	70 Å²	70	45.9 Å²	45.9	28%	0.275	23%	0.232	S	C	.	.	H	α-helix	trans	-57.5	-45.1	174.9	-176.5	-90.3	0	0	0	112.1	I200 I203 D204 D271 L272 N279	I200-Y275 HydrophobicContact CG1-CE1 4.4Å; I200-Y275 HydrophobicContact CG2-CE1 3.82Å; I200-Y275 HydrophobicContact CG2-CE2 4.32Å; I200-Y275 VanDerWaalsContact CG2-OH 3.24Å; I200-Y275 WeakPolarHBondContact CG2-OH 3.44Å; I203-Y275 HydrophobicContact CG2-CD1 4.12Å; I203-Y275 HydrophobicContact CG2-CE1 4.2Å; D204-Y275 WeakPolarHBondContact OD1-CE1 3.44Å; D204-Y275 PolarHBondContact OD1-OH 3.33Å; D204-Y275 PolarHBondContact OD2-OH 3.33Å; D271-Y275 WeakPolarHBondContact O-CB 3.42Å; D271-Y275 PolarHBondContact O-N 3.43Å; L272-Y275 WeakPolarHBondContact O-CB 3.39Å; L272-Y275 PolarHBondContact O-N 3.17Å; Y275-N279 WeakPolarHBondContact CD1-ND2 3.05Å; Y275-N279 WeakPolarHBondContact CD2-ND2 3.39Å; Y275-N279 WeakPolarHBondContact CE1-ND2 3.46Å; Y275-N279 WeakPolarHBondContact CE2-ND2 3.39Å; Y275-N279 WeakPolarHBondContact O-CB 3.49Å; Y275-N279 PolarHBondContact O-N 3.37Å; Y275-N279 VanDerWaalsContact O-N 3.07Å; Y275-N279 PolarHBondContact O-ND2 3Å; Y275-N279 PolarHBondContact OH-ND2 2.95Å
276	V	85.4	Confident	82.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-49.8	176.3	175.3	0	0	0	0	110.7	I203 L224 L225 V228 L272 R273 Q274 V278 N279 L280	I203-V276 HydrophobicContact CD1-CG2 4.19Å; I203-V276 HydrophobicContact CG1-CG2 4.37Å; I203-V276 HydrophobicContact CG2-CG2 3.61Å; L224-V276 HydrophobicContact CD2-CG1 3.75Å; L224-V276 HydrophobicContact CG-CG1 4.16Å; L225-V276 HydrophobicContact CD2-CB 4.44Å; L225-V276 HydrophobicContact CD2-CG1 4Å; V228-V276 HydrophobicContact CG1-CG2 4.45Å; V228-V276 HydrophobicContact CG2-CG2 3.89Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.44Å; L272-V276 PolarHBondContact O-N 2.99Å; R273-V276 PolarHBondContact O-N 3.31Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 PolarHBondContact O-N 2.76Å; V276-V278 PolarHBondContact O-N 3.42Å; V276-N279 PolarHBondContact O-N 2.5Å; V276-L280 WeakPolarHBondContact O-CB 3.5Å; V276-L280 PolarHBondContact O-N 3.32Å
277	L	84.9	Confident	83.2	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-41.5	-177.2	-69.6	166.1	0	0	0	112.2	L225 R273 Q274 G281 M307 C308 R311 A312	L225-L277 HydrophobicContact CD1-CD2 4.5Å; R273-L277 HydrophobicContact CG-CD1 4.15Å; R273-L277 VanDerWaalsContact O-CG 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 2.94Å; Q274-L277 PolarHBondContact O-N 2.73Å; L277-G281 PolarHBondContact O-N 2.96Å; L277-M307 HydrophobicContact CD2-SD 3.98Å; L277-C308 WeakPolarHBondContact O-CB 3.41Å; L277-R311 HydrophobicContact CD1-CB 3.71Å; L277-A312 HydrophobicContact CB-CB 3.94Å
278	V	89	Confident	84.3	Confident	26 Å²	26	44.6 Å²	44.6	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-50.8	177.3	171.7	0	0	0	0	110.8	Q274 V276 G281 R282 A312	Q274-V278 HydrophobicContact CG-CG2 4.32Å; Q274-V278 WeakPolarHBondContact O-CB 3.47Å; Q274-V278 VanDerWaalsContact O-CG2 3.28Å; Q274-V278 WeakPolarHBondContact O-CG2 3.46Å; Q274-V278 PolarHBondContact O-N 2.82Å; V276-V278 PolarHBondContact O-N 3.42Å; V278-G281 PolarHBondContact O-N 3.46Å; V278-R282 WeakPolarHBondContact O-CG 3.35Å; V278-R282 PolarHBondContact O-N 3.12Å; V278-A312 HydrophobicContact CG2-CB 3.73Å
279	N	88.1	Confident	85.2	Confident	34 Å²	34	44.3 Å²	44.3	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-75.2	-38.4	-174.1	-70.8	-50.9	0	0	0	112.9	I207 Y275 V276 G281 R282 C283	I207-N279 HydrophobicContact CD1-CB 4.02Å; Y275-N279 WeakPolarHBondContact CD1-ND2 3.05Å; Y275-N279 WeakPolarHBondContact CD2-ND2 3.39Å; Y275-N279 WeakPolarHBondContact CE1-ND2 3.46Å; Y275-N279 WeakPolarHBondContact CE2-ND2 3.39Å; Y275-N279 WeakPolarHBondContact O-CB 3.49Å; Y275-N279 PolarHBondContact O-N 3.37Å; Y275-N279 VanDerWaalsContact O-N 3.07Å; Y275-N279 PolarHBondContact O-ND2 3Å; Y275-N279 PolarHBondContact OH-ND2 2.95Å; V276-N279 PolarHBondContact O-N 2.5Å; N279-G281 VanDerWaalsContact C-N 3.34Å; N279-R282 PolarHBondContact O-N 3.36Å; N279-C283 WeakPolarHBondContact O-CB 3.42Å; N279-C283 PolarHBondContact O-N 2.82Å; N279-C283 PolarHBondContact O-SG 3.05Å; N279-C283 VanDerWaalsContact O-SG 3.4Å
280	L	87.4	Confident	85.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-46.3	171.9	-179.8	62.7	0	0	0	110.4	I207 L210 V211 V276 R282 C283 L284	I207-L280 HydrophobicContact CG2-CD1 4.13Å; L210-L280 HydrophobicContact CD2-CD1 4.2Å; V211-L280 HydrophobicContact CG2-CD1 4.15Å; V276-L280 WeakPolarHBondContact O-CB 3.5Å; V276-L280 PolarHBondContact O-N 3.32Å; L280-R282 PolarHBondContact O-N 2.83Å; L280-C283 PolarHBondContact O-N 3.32Å; L280-L284 HydrophobicContact CD1-CD1 4.15Å; L280-L284 HydrophobicContact CD1-CG 4.26Å; L280-L284 HydrophobicContact CG-CD1 3.94Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 3.09Å
281	G	88.5	Confident	86.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-47.5	175.9	0	0	0	0	0	112.3	L277 V278 N279 C283 L284 M285	L277-G281 PolarHBondContact O-N 2.96Å; V278-G281 PolarHBondContact O-N 3.46Å; N279-G281 VanDerWaalsContact C-N 3.34Å; G281-C283 PolarHBondContact O-N 2.71Å; G281-L284 PolarHBondContact O-N 3.16Å; G281-M285 WeakPolarHBondContact O-CB 3.48Å; G281-M285 VanDerWaalsContact O-CG 3.3Å; G281-M285 WeakPolarHBondContact O-CG 3.41Å; G281-M285 PolarHBondContact O-N 3.09Å
282	R	89.5	Confident	86.8	Confident	135 Å²	135	39.5 Å²	39.5	51%	0.509	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-41.4	176.7	-74.9	175.8	175.6	169.7	0.4	113.2	V278 N279 L280 M285 R286	V278-R282 WeakPolarHBondContact O-CG 3.35Å; V278-R282 PolarHBondContact O-N 3.12Å; N279-R282 PolarHBondContact O-N 3.36Å; L280-R282 PolarHBondContact O-N 2.83Å; R282-M285 HydrophobicContact CG-CE 4.15Å; R282-M285 PolarHBondContact O-N 3.43Å; R282-R286 PolarHBondContact O-N 2.86Å; R282-R286 VanDerWaalsContact O-N 3.08Å
283	C	88.8	Confident	87	Confident	20 Å²	20	40.6 Å²	40.6	14%	0.135	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176	-75	0	0	0	0	112.2	I207 V211 N279 L280 G281 R286	I207-C283 HydrophobicContact CG2-CB 4.43Å; V211-C283 HydrophobicContact CG2-CB 3.81Å; N279-C283 WeakPolarHBondContact O-CB 3.42Å; N279-C283 PolarHBondContact O-N 2.82Å; N279-C283 PolarHBondContact O-SG 3.05Å; N279-C283 VanDerWaalsContact O-SG 3.4Å; L280-C283 PolarHBondContact O-N 3.32Å; G281-C283 PolarHBondContact O-N 2.71Å; C283-R286 WeakPolarHBondContact O-CB 3.26Å; C283-R286 PolarHBondContact O-N 3.3Å
284	L	88.8	Confident	87	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-39.9	176.9	-67.1	169.8	0	0	0	111.8	L214 L280 G281 R286 D287 L288 L291 A301 D304 L305	L214-L284 HydrophobicContact CD1-CD2 3.86Å; L214-L284 HydrophobicContact CD2-CD2 3.64Å; L214-L284 HydrophobicContact CG-CD2 4.43Å; L280-L284 HydrophobicContact CD1-CD1 4.15Å; L280-L284 HydrophobicContact CD1-CG 4.26Å; L280-L284 HydrophobicContact CG-CD1 3.94Å; L280-L284 HydrophobicContact CG-CG 4.46Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 3.09Å; G281-L284 PolarHBondContact O-N 3.16Å; L284-R286 VanDerWaalsContact C-N 3.3Å; L284-R286 PolarHBondContact O-N 3.42Å; L284-D287 CarbonylContact O-C 3.55Å; L284-D287 PolarHBondContact O-N 2.96Å; L284-L288 PolarHBondContact O-N 2.76Å; L284-L291 HydrophobicContact CB-CD1 4.36Å; L284-L291 HydrophobicContact CD2-CD1 4.27Å; L284-A301 HydrophobicContact CD2-CB 4.26Å; L284-D304 HydrophobicContact CD1-CB 4.05Å; L284-L305 HydrophobicContact CB-CB 4.34Å; L284-L305 HydrophobicContact CB-CD1 4.08Å; L284-L305 HydrophobicContact CD1-CB 4.07Å
285	M	88.5	Confident	86.6	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-35	175.9	-74.7	-172.5	-71.9	0	0	112.6	G281 R282 D287 L288 L305 L314 D317 L318	G281-M285 WeakPolarHBondContact O-CB 3.48Å; G281-M285 VanDerWaalsContact O-CG 3.3Å; G281-M285 WeakPolarHBondContact O-CG 3.41Å; G281-M285 PolarHBondContact O-N 3.09Å; R282-M285 HydrophobicContact CG-CE 4.15Å; R282-M285 PolarHBondContact O-N 3.43Å; M285-D287 VanDerWaalsContact C-N 3.28Å; M285-D287 PolarHBondContact O-N 3.35Å; M285-L288 WeakPolarHBondContact O-CB 3.5Å; M285-L288 PolarHBondContact O-N 3.2Å; M285-L305 HydrophobicContact CG-CD1 3.7Å; M285-L314 HydrophobicContact CE-CB 4.08Å; M285-L314 HydrophobicContact CE-CD1 3.9Å; M285-L314 HydrophobicContact CE-CG 4.46Å; M285-D317 HydrophobicContact CE-CB 4Å; M285-D317 HydrophobicContact SD-CB 4.19Å; M285-L318 HydrophobicContact CG-CD1 4.21Å; M285-L318 VanDerWaalsContact SD-CA 3.59Å; M285-L318 HydrophobicContact SD-CB 3.93Å; M285-L318 HydrophobicContact SD-CD1 4.24Å
286	R	87.8	Confident	85.9	Confident	152 Å²	152	35.8 Å²	35.8	57%	0.574	16%	0.162	S	C	*	.	H	α-helix	trans	-61.1	-36.2	176.8	-173.7	-178.5	65.3	-161.7	-4.3	112.9	R282 C283 L284	R282-R286 PolarHBondContact O-N 2.86Å; R282-R286 VanDerWaalsContact O-N 3.08Å; C283-R286 WeakPolarHBondContact O-CB 3.26Å; C283-R286 PolarHBondContact O-N 3.3Å; L284-R286 VanDerWaalsContact C-N 3.3Å; L284-R286 PolarHBondContact O-N 3.42Å
287	D	86.5	Confident	85.4	Confident	34 Å²	34	42 Å²	42	18%	0.182	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	16.6	179.8	-76.6	-62.7	0	0	0	112.9	L284 M285 F289 K290 L291	L284-D287 CarbonylContact O-C 3.55Å; L284-D287 PolarHBondContact O-N 2.96Å; M285-D287 VanDerWaalsContact C-N 3.28Å; M285-D287 PolarHBondContact O-N 3.35Å; D287-F289 VanDerWaalsContact C-N 3.27Å; D287-F289 PolarHBondContact O-N 2.93Å; D287-F289 VanDerWaalsContact O-N 3.13Å; D287-K290 WeakPolarHBondContact O-CB 3.49Å; D287-K290 PolarHBondContact O-N 3.26Å; D287-K290 IonicContact OD1-NZ 3.72Å; D287-K290 PolarHBondContact OD1-NZ 2.82Å; D287-L291 PolarHBondContact O-N 2.98Å
288	L	89.5	Confident	85.2	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-55.4	-37.3	-172.3	-172.7	64.5	0	0	0	113.6	L284 M285 K290 L291 I292 L302 L305 L318 V322 M325	L284-L288 PolarHBondContact O-N 2.76Å; M285-L288 WeakPolarHBondContact O-CB 3.5Å; M285-L288 PolarHBondContact O-N 3.2Å; L288-K290 VanDerWaalsContact C-N 3.35Å; L288-K290 PolarHBondContact O-N 3.43Å; L288-L291 WeakPolarHBondContact O-CB 3.34Å; L288-L291 PolarHBondContact O-N 3.1Å; L288-I292 HydrophobicContact CD1-CD1 4.34Å; L288-I292 HydrophobicContact CG-CD1 3.9Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.34Å; L288-L302 HydrophobicContact CD1-CD2 4.43Å; L288-L305 HydrophobicContact CD1-CD2 3.54Å; L288-L318 HydrophobicContact CD2-CD1 3.96Å; L288-V322 HydrophobicContact CD2-CG2 3.61Å; L288-M325 HydrophobicContact CB-CE 3.52Å; L288-M325 HydrophobicContact CD2-CE 3.67Å; L288-M325 HydrophobicContact CG-CE 3.53Å
289	F	88.1	Confident	84.7	Confident	48 Å²	48	42.6 Å²	42.6	21%	0.211	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-44.5	177.2	-179.8	-90.7	0	0	0	111.5	D287 L291 I292 D293 M325 F329 F361	D287-F289 VanDerWaalsContact C-N 3.27Å; D287-F289 PolarHBondContact O-N 2.93Å; D287-F289 VanDerWaalsContact O-N 3.13Å; F289-L291 VanDerWaalsContact C-N 3.32Å; F289-L291 PolarHBondContact O-N 3.19Å; F289-I292 PolarHBondContact O-N 3.41Å; F289-D293 HydrophobicContact CE1-CB 4.35Å; F289-D293 WeakPolarHBondContact O-CB 3.26Å; F289-D293 PolarHBondContact O-N 2.93Å; F289-M325 HydrophobicContact CB-CE 3.92Å; F289-M325 HydrophobicContact CB-CG 4.11Å; F289-M325 HydrophobicContact CB-SD 3.88Å; F289-M325 HydrophobicContact CD2-CG 3.8Å; F289-M325 HydrophobicContact CD2-SD 3.79Å; F289-M325 HydrophobicContact CG-CG 4.44Å; F289-M325 HydrophobicContact CG-SD 4.34Å; F289-F329 HydrophobicContact CE2-CD2 4.05Å; F289-F361 AromaticContact CD2-CE2 3.8Å; F289-F361 HydrophobicContact CD2-CE2 3.8Å; F289-F361 AromaticContact CD2-CZ 3.81Å; F289-F361 HydrophobicContact CD2-CZ 3.81Å; F289-F361 HydrophobicContact CE2-CD2 4.19Å; F289-F361 HydrophobicContact CE2-CE1 4.49Å; F289-F361 AromaticContact CE2-CE2 3.42Å; F289-F361 HydrophobicContact CE2-CE2 3.42Å; F289-F361 VanDerWaalsContact CE2-CE2 3.42Å; F289-F361 AromaticContact CE2-CZ 3.61Å; F289-F361 HydrophobicContact CE2-CZ 3.61Å; F289-F361 HydrophobicContact CZ-CE2 4.07Å
290	K	87.3	Confident	84.1	Confident	95 Å²	95	44.4 Å²	44.4	41%	0.413	20%	0.204	S	C	.	.	H	α-helix	trans	-67.2	-36.9	178.1	-63.9	176	-169.9	152.4	0	111.1	D287 L288 I292 D293 K294	D287-K290 WeakPolarHBondContact O-CB 3.49Å; D287-K290 PolarHBondContact O-N 3.26Å; D287-K290 IonicContact OD1-NZ 3.72Å; D287-K290 PolarHBondContact OD1-NZ 2.82Å; L288-K290 VanDerWaalsContact C-N 3.35Å; L288-K290 PolarHBondContact O-N 3.43Å; K290-I292 VanDerWaalsContact C-N 3.34Å; K290-D293 PolarHBondContact O-N 3.13Å; K290-K294 WeakPolarHBondContact O-CB 3.22Å; K290-K294 WeakPolarHBondContact O-CG 3.46Å; K290-K294 PolarHBondContact O-N 3.06Å
291	L	87.5	Confident	83.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-44.8	175.1	-63.5	-179.2	0	0	0	110.8	L214 L284 D287 L288 F289 F295 S298 A301 L302	L214-L291 HydrophobicContact CD1-CD2 4.1Å; L284-L291 HydrophobicContact CB-CD1 4.36Å; L284-L291 HydrophobicContact CD2-CD1 4.27Å; D287-L291 PolarHBondContact O-N 2.98Å; L288-L291 WeakPolarHBondContact O-CB 3.34Å; L288-L291 PolarHBondContact O-N 3.1Å; F289-L291 VanDerWaalsContact C-N 3.32Å; F289-L291 PolarHBondContact O-N 3.19Å; L291-F295 PolarHBondContact O-N 3.42Å; L291-S298 VanDerWaalsContact O-CB 3.23Å; L291-S298 WeakPolarHBondContact O-CB 3.32Å; L291-S298 PolarHBondContact O-OG 3.11Å; L291-A301 HydrophobicContact CD1-CB 4.42Å; L291-A301 HydrophobicContact CD2-CB 3.78Å; L291-L302 HydrophobicContact CB-CD2 4.1Å
292	I	86	Confident	83.6	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-45.7	177.5	-66.2	159.9	0	0	0	110.9	L288 F289 K290 K294 F295 M325 F361 R364 L365	L288-I292 HydrophobicContact CD1-CD1 4.34Å; L288-I292 HydrophobicContact CG-CD1 3.9Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.34Å; F289-I292 PolarHBondContact O-N 3.41Å; K290-I292 VanDerWaalsContact C-N 3.34Å; I292-K294 PolarHBondContact O-N 2.92Å; I292-F295 WeakPolarHBondContact O-CB 3.38Å; I292-F295 PolarHBondContact O-N 3.48Å; I292-F295 VanDerWaalsContact O-N 3.16Å; I292-M325 HydrophobicContact CD1-CE 4Å; I292-M325 HydrophobicContact CD1-SD 3.87Å; I292-F361 HydrophobicContact CB-CE2 4.29Å; I292-F361 HydrophobicContact CG2-CD2 4.22Å; I292-F361 HydrophobicContact CG2-CE2 3.67Å; I292-F361 HydrophobicContact CG2-CZ 4.1Å; I292-R364 HydrophobicContact CG2-CB 4.03Å; I292-R364 WeakPolarHBondContact O-CB 3.23Å; I292-R364 WeakPolarHBondContact O-CD 3.4Å; I292-L365 HydrophobicContact CD1-CD1 3.61Å; I292-L365 HydrophobicContact CG1-CD1 4.49Å; I292-L365 HydrophobicContact CG2-CB 4.1Å; I292-L365 HydrophobicContact CG2-CD1 4.41Å
293	D	83.5	Confident	83.2	Confident	36 Å²	36	39.4 Å²	39.4	19%	0.193	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-38.6	-177.5	-174.1	46.4	0	0	0	112.6	F289 K290 F295 Y357 R364	F289-D293 HydrophobicContact CE1-CB 4.35Å; F289-D293 WeakPolarHBondContact O-CB 3.26Å; F289-D293 PolarHBondContact O-N 2.93Å; K290-D293 PolarHBondContact O-N 3.13Å; D293-F295 VanDerWaalsContact C-N 3.28Å; D293-F295 PolarHBondContact O-N 3.27Å; D293-Y357 VanDerWaalsContact CG-OH 3.22Å; D293-Y357 PolarHBondContact OD1-OH 3.41Å; D293-R364 WeakPolarHBondContact O-CD 3.25Å; D293-R364 PolarHBondContact O-NE 3.4Å; D293-R364 PolarHBondContact O-NH1 3.49Å; D293-R364 IonicContact OD1-NH1 2.57Å; D293-R364 PolarHBondContact OD1-NH1 2.89Å; D293-R364 VanDerWaalsContact OD1-NH1 3.12Å
294	K	82.5	Confident	82.8	Confident	91 Å²	91	39 Å²	39	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	6.4	176.5	-64.4	-163.5	-173.3	-176.3	0	114.4	Y215 K290 I292 E297	Y215-K294 HydrophobicContact CD1-CD 4.2Å; Y215-K294 HydrophobicContact CE1-CB 3.88Å; Y215-K294 HydrophobicContact CE1-CD 3.54Å; Y215-K294 HydrophobicContact CE1-CG 4.34Å; Y215-K294 HydrophobicContact CE2-CD 4.16Å; K290-K294 WeakPolarHBondContact O-CB 3.22Å; K290-K294 WeakPolarHBondContact O-CG 3.46Å; K290-K294 PolarHBondContact O-N 3.06Å; I292-K294 PolarHBondContact O-N 2.92Å; K294-E297 WeakPolarHBondContact O-CB 3.45Å; K294-E297 PolarHBondContact O-N 2.99Å
295	F	74.8	Confident	82.7	Confident	22 Å²	22	39 Å²	39	10%	0.096	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	126.1	173.6	-178.1	-87.4	0	0	0	109.5	L291 I292 D293 S298 V299 L302 R364 K367 L371 V415	L291-F295 PolarHBondContact O-N 3.42Å; I292-F295 WeakPolarHBondContact O-CB 3.38Å; I292-F295 PolarHBondContact O-N 3.48Å; I292-F295 VanDerWaalsContact O-N 3.16Å; D293-F295 VanDerWaalsContact C-N 3.28Å; D293-F295 PolarHBondContact O-N 3.27Å; F295-S298 WeakPolarHBondContact CA-OG 3.44Å; F295-S298 PolarHBondContact N-OG 3.41Å; F295-V299 HydrophobicContact CD2-CG2 4.03Å; F295-V299 HydrophobicContact CE2-CG2 3.45Å; F295-V299 VanDerWaalsContact CE2-CG2 3.45Å; F295-V299 HydrophobicContact CZ-CG2 4.07Å; F295-L302 HydrophobicContact CD2-CD1 3.72Å; F295-L302 HydrophobicContact CE2-CD1 4.31Å; F295-R364 HydrophobicContact CB-CB 4.42Å; F295-R364 HydrophobicContact CB-CG 4.36Å; F295-K367 HydrophobicContact CE1-CB 4.03Å; F295-K367 HydrophobicContact CE1-CD 3.81Å; F295-K367 HydrophobicContact CZ-CB 4Å; F295-K367 HydrophobicContact CZ-CD 4.35Å; F295-L371 HydrophobicContact CE2-CD1 3.82Å; F295-V415 HydrophobicContact CD1-CG1 4.41Å; F295-V415 HydrophobicContact CE1-CG1 3.86Å
296	P	72	Confident	82.5	Confident	35 Å²	35	38.8 Å²	38.8	23%	0.227	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	cis	-104.7	-0.3	23	41.6	-41.7	0	0	0	116.6	S298 V299 V415	P296-S298 PolarHBondContact O-N 3.09Å; P296-V299 HydrophobicContact CB-CG2 4.02Å; P296-V299 WeakPolarHBondContact O-CB 3.43Å; P296-V299 WeakPolarHBondContact O-CG2 3.45Å; P296-V299 PolarHBondContact O-N 3.03Å; P296-V415 HydrophobicContact CB-CB 4.16Å; P296-V415 HydrophobicContact CB-CG1 3.28Å; P296-V415 HydrophobicContact CB-CG2 4.37Å; P296-V415 HydrophobicContact CG-CB 3.58Å; P296-V415 HydrophobicContact CG-CG1 3.28Å; P296-V415 HydrophobicContact CG-CG2 3.4Å; P296-V415 VanDerWaalsContact CG-CG2 3.4Å
297	E	74.3	Confident	82.2	Confident	132 Å²	132	33.4 Å²	33.4	62%	0.617	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.3	-178.1	-60.3	168.7	173.4	0	0	111	Y215 K294	Y215-E297 HydrophobicContact CD1-CB 4.15Å; K294-E297 WeakPolarHBondContact O-CB 3.45Å; K294-E297 PolarHBondContact O-N 2.99Å
298	S	80.4	Confident	82.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	4.3	177.3	59.4	0	0	0	0	115.9	L291 F295 P296 N300 A301 L302	L291-S298 VanDerWaalsContact O-CB 3.23Å; L291-S298 WeakPolarHBondContact O-CB 3.32Å; L291-S298 PolarHBondContact O-OG 3.11Å; F295-S298 WeakPolarHBondContact CA-OG 3.44Å; F295-S298 PolarHBondContact N-OG 3.41Å; P296-S298 PolarHBondContact O-N 3.09Å; S298-N300 VanDerWaalsContact C-N 3.3Å; S298-N300 PolarHBondContact O-N 3.49Å; S298-A301 WeakPolarHBondContact O-CB 3.34Å; S298-A301 PolarHBondContact O-N 3.31Å; S298-L302 PolarHBondContact O-N 2.85Å
299	V	78.3	Confident	82	Confident	45 Å²	45	32.3 Å²	32.3	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-52.7	-44.7	-174.1	162.5	0	0	0	0	112.7	F295 P296 A301 L302 L303	F295-V299 HydrophobicContact CD2-CG2 4.03Å; F295-V299 HydrophobicContact CE2-CG2 3.45Å; F295-V299 VanDerWaalsContact CE2-CG2 3.45Å; F295-V299 HydrophobicContact CZ-CG2 4.07Å; P296-V299 HydrophobicContact CB-CG2 4.02Å; P296-V299 WeakPolarHBondContact O-CB 3.43Å; P296-V299 WeakPolarHBondContact O-CG2 3.45Å; P296-V299 PolarHBondContact O-N 3.03Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 3.4Å; V299-L302 PolarHBondContact O-N 3.32Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CG 3.46Å; V299-L303 PolarHBondContact O-N 3.35Å
300	N	75.2	Confident	81.6	Confident	73 Å²	73	34.3 Å²	34.3	39%	0.39	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-41.7	-180	-66.3	-24.8	0	0	0	112	S298 L302 L303 D304	S298-N300 VanDerWaalsContact C-N 3.3Å; S298-N300 PolarHBondContact O-N 3.49Å; N300-L302 VanDerWaalsContact C-N 3.31Å; N300-L302 PolarHBondContact O-N 3.02Å; N300-L303 PolarHBondContact O-N 2.81Å; N300-D304 PolarHBondContact O-N 2.7Å
301	A	83	Confident	81.3	Confident	1 Å²	1	34 Å²	34	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-36	176.8	0	0	0	0	0	112.2	L214 L284 L291 S298 V299 L305	L214-A301 HydrophobicContact CB-CB 4.26Å; L214-A301 HydrophobicContact CD2-CB 3.85Å; L214-A301 HydrophobicContact CG-CB 4.42Å; L284-A301 HydrophobicContact CD2-CB 4.26Å; L291-A301 HydrophobicContact CD1-CB 4.42Å; L291-A301 HydrophobicContact CD2-CB 3.78Å; S298-A301 WeakPolarHBondContact O-CB 3.34Å; S298-A301 PolarHBondContact O-N 3.31Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 3.4Å; A301-L305 WeakPolarHBondContact O-CB 3.34Å; A301-L305 PolarHBondContact O-N 2.92Å
302	L	83.1	Confident	81	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-70.4	-36.6	175.5	-67.7	168.5	0	0	0	112.1	L288 L291 F295 S298 V299 N300 L305 S306 L371 V372	L288-L302 HydrophobicContact CD1-CD2 4.43Å; L291-L302 HydrophobicContact CB-CD2 4.1Å; F295-L302 HydrophobicContact CD2-CD1 3.72Å; F295-L302 HydrophobicContact CE2-CD1 4.31Å; S298-L302 PolarHBondContact O-N 2.85Å; V299-L302 PolarHBondContact O-N 3.32Å; N300-L302 VanDerWaalsContact C-N 3.31Å; N300-L302 PolarHBondContact O-N 3.02Å; L302-L305 PolarHBondContact O-N 3.35Å; L302-S306 PolarHBondContact O-N 2.9Å; L302-L371 HydrophobicContact CD1-CD1 4.5Å; L302-V372 HydrophobicContact CB-CG2 4.15Å; L302-V372 HydrophobicContact CD2-CG2 3.82Å
303	L	80.3	Confident	80.9	Confident	29 Å²	29	41.4 Å²	41.4	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-41.4	173.9	-69.2	173.9	0	0	0	111.7	V299 N300 L305 S306 M307 L371 V433 F434	V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CG 3.46Å; V299-L303 PolarHBondContact O-N 3.35Å; N300-L303 PolarHBondContact O-N 2.81Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.1Å; L303-S306 WeakPolarHBondContact O-CB 3.5Å; L303-S306 PolarHBondContact O-N 3.04Å; L303-M307 PolarHBondContact O-N 2.76Å; L303-L371 HydrophobicContact CD2-CD2 4.37Å; L303-V433 HydrophobicContact CD1-CG1 3.98Å; L303-F434 HydrophobicContact CD2-CE1 3.51Å; L303-F434 HydrophobicContact CD2-CE2 4.37Å; L303-F434 HydrophobicContact CD2-CZ 3.4Å; L303-F434 VanDerWaalsContact CD2-CZ 3.4Å
304	D	82	Confident	81	Confident	12 Å²	12	40 Å²	40	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-42.2	172.7	-74.8	-16.7	0	0	0	110.8	S221 L284 N300 M307 C308	S221-D304 VanDerWaalsContact CB-OD1 3.3Å; S221-D304 WeakPolarHBondContact CB-OD1 3.26Å; S221-D304 WeakPolarHBondContact CB-OD2 3.41Å; S221-D304 PolarHBondContact N-OD1 3.35Å; S221-D304 PolarHBondContact N-OD2 3.44Å; S221-D304 PolarHBondContact OG-OD1 3.35Å; L284-D304 HydrophobicContact CD1-CB 4.05Å; N300-D304 PolarHBondContact O-N 2.7Å; D304-M307 WeakPolarHBondContact O-CB 3.3Å; D304-M307 PolarHBondContact O-N 2.71Å; D304-C308 PolarHBondContact O-N 3.34Å; D304-C308 PolarHBondContact O-SG 2.85Å
305	L	87.1	Confident	81.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-44.3	173.9	179.8	60.2	0	0	0	112	L284 M285 L288 A301 L302 L303 M307 C308 V309 L318 V372	L284-L305 HydrophobicContact CB-CB 4.34Å; L284-L305 HydrophobicContact CB-CD1 4.08Å; L284-L305 HydrophobicContact CD1-CB 4.07Å; M285-L305 HydrophobicContact CG-CD1 3.7Å; L288-L305 HydrophobicContact CD1-CD2 3.54Å; A301-L305 WeakPolarHBondContact O-CB 3.34Å; A301-L305 PolarHBondContact O-N 2.92Å; L302-L305 PolarHBondContact O-N 3.35Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.1Å; L305-M307 VanDerWaalsContact C-N 3.25Å; L305-M307 PolarHBondContact O-N 2.84Å; L305-C308 PolarHBondContact O-N 3.02Å; L305-C308 VanDerWaalsContact O-N 3.16Å; L305-V309 HydrophobicContact CD1-CG2 3.88Å; L305-V309 HydrophobicContact CG-CG2 4.2Å; L305-V309 VanDerWaalsContact O-CG2 3.25Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.39Å; L305-L318 HydrophobicContact CD2-CD1 4.25Å; L305-V372 HydrophobicContact CB-CG2 4.5Å; L305-V372 HydrophobicContact CD2-CG1 3.92Å; L305-V372 HydrophobicContact CD2-CG2 4.01Å; L305-V372 HydrophobicContact CG-CG1 3.87Å; L305-V372 HydrophobicContact CG-CG2 4.36Å
306	S	83.7	Confident	81.7	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-42.3	173.8	140.1	0	0	0	0	111.5	L302 L303 R310 L371	L302-S306 PolarHBondContact O-N 2.9Å; L303-S306 WeakPolarHBondContact O-CB 3.5Å; L303-S306 PolarHBondContact O-N 3.04Å; S306-R310 WeakPolarHBondContact O-CB 3.15Å; S306-R310 PolarHBondContact O-N 3.33Å; S306-R310 VanDerWaalsContact O-N 3.11Å; S306-R310 PolarHBondContact OG-NH2 3.39Å; S306-L371 VanDerWaalsContact CB-O 3.31Å; S306-L371 WeakPolarHBondContact CB-O 3.31Å
307	M	81.4	Confident	82.5	Confident	38 Å²	38	46.1 Å²	46.1	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-47.2	177.3	-168.5	-152.1	-52.8	0	0	111.1	S221 L225 L277 L303 D304 L305 R310 R311	S221-M307 WeakPolarHBondContact OG-CE 3.48Å; L225-M307 HydrophobicContact CD1-CE 4.2Å; L225-M307 HydrophobicContact CD1-SD 3.66Å; L277-M307 HydrophobicContact CD2-SD 3.98Å; L303-M307 PolarHBondContact O-N 2.76Å; D304-M307 WeakPolarHBondContact O-CB 3.3Å; D304-M307 PolarHBondContact O-N 2.71Å; L305-M307 VanDerWaalsContact C-N 3.25Å; L305-M307 PolarHBondContact O-N 2.84Å; M307-R310 PolarHBondContact O-N 3Å; M307-R311 WeakPolarHBondContact O-CB 3.43Å; M307-R311 PolarHBondContact O-N 3.43Å
308	C	85.8	Confident	83.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-48.1	179.2	-64.3	0	0	0	0	111.2	L277 D304 L305 R310 R311 A312 L314	L277-C308 WeakPolarHBondContact O-CB 3.41Å; D304-C308 PolarHBondContact O-N 3.34Å; D304-C308 PolarHBondContact O-SG 2.85Å; L305-C308 PolarHBondContact O-N 3.02Å; L305-C308 VanDerWaalsContact O-N 3.16Å; C308-R310 VanDerWaalsContact C-N 3.31Å; C308-R310 PolarHBondContact O-N 3.1Å; C308-R311 PolarHBondContact O-N 3.23Å; C308-A312 VanDerWaalsContact O-CB 3.25Å; C308-A312 WeakPolarHBondContact O-CB 3.24Å; C308-A312 PolarHBondContact O-N 3.47Å; C308-L314 HydrophobicContact CB-CD1 4.49Å
309	V	85.1	Confident	83.6	Confident	14 Å²	14	40.9 Å²	40.9	9%	0.085	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-42.3	-179.4	172.1	0	0	0	0	111.5	L305 D313 L314 R315 L318 V372	L305-V309 HydrophobicContact CD1-CG2 3.88Å; L305-V309 HydrophobicContact CG-CG2 4.2Å; L305-V309 VanDerWaalsContact O-CG2 3.25Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.39Å; V309-D313 PolarHBondContact O-N 2.93Å; V309-L314 HydrophobicContact CG2-CB 4.41Å; V309-L314 PolarHBondContact O-N 2.91Å; V309-R315 HydrophobicContact CG1-CB 4.33Å; V309-L318 HydrophobicContact CG1-CD2 4.23Å; V309-L318 HydrophobicContact CG2-CB 4.4Å; V309-L318 HydrophobicContact CG2-CD2 4.04Å; V309-V372 HydrophobicContact CG2-CG1 4.41Å
310	R	81.1	Confident	84.1	Confident	90 Å²	90	45.3 Å²	45.3	34%	0.34	21%	0.211	S	C	.	.	H	α-helix	trans	-72.8	-40.5	-178.3	-165.6	-176.4	-47.3	176.7	10.4	113.3	S306 M307 C308	S306-R310 WeakPolarHBondContact O-CB 3.15Å; S306-R310 PolarHBondContact O-N 3.33Å; S306-R310 VanDerWaalsContact O-N 3.11Å; S306-R310 PolarHBondContact OG-NH2 3.39Å; M307-R310 PolarHBondContact O-N 3Å; C308-R310 VanDerWaalsContact C-N 3.31Å; C308-R310 PolarHBondContact O-N 3.1Å
311	R	79.9	Confident	84.8	Confident	89 Å²	89	44.2 Å²	44.2	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-90.1	-23.8	-173.3	-68.3	-173.9	173.9	170.5	-1.8	113.6	L277 M307 C308 I437	L277-R311 HydrophobicContact CD1-CB 3.71Å; M307-R311 WeakPolarHBondContact O-CB 3.43Å; M307-R311 PolarHBondContact O-N 3.43Å; C308-R311 PolarHBondContact O-N 3.23Å; R311-I437 PolarHBondContact NH2-O 3.45Å
312	A	81.9	Confident	85.1	Confident	12 Å²	12	44.1 Å²	44.1	10%	0.099	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	9.8	-178.7	0	0	0	0	0	113.9	L277 V278 C308 L314	L277-A312 HydrophobicContact CB-CB 3.94Å; V278-A312 HydrophobicContact CG2-CB 3.73Å; C308-A312 VanDerWaalsContact O-CB 3.25Å; C308-A312 WeakPolarHBondContact O-CB 3.24Å; C308-A312 PolarHBondContact O-N 3.47Å; A312-L314 VanDerWaalsContact C-N 3.35Å; A312-L314 HydrophobicContact CB-CD1 4.21Å; A312-L314 HydrophobicContact CB-CG 3.99Å; A312-L314 PolarHBondContact O-N 2.74Å
313	D	83	Confident	85.3	Confident	145 Å²	145	46.6 Å²	46.6	78%	0.775	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	44.2	177.5	-158.6	21.9	0	0	0	114.2	V309 R315	V309-D313 PolarHBondContact O-N 2.93Å; D313-R315 VanDerWaalsContact C-N 3.29Å; D313-R315 PolarHBondContact O-N 3.44Å
314	L	86.7	Confident	85.7	Confident	7 Å²	7	49 Å²	49	4%	0.037	24%	0.237	C	C	.	.			trans	-91.7	22.3	-176.8	-56	174.2	0	0	0	113.2	M285 C308 V309 A312 E316 D317 L318	M285-L314 HydrophobicContact CE-CB 4.08Å; M285-L314 HydrophobicContact CE-CD1 3.9Å; M285-L314 HydrophobicContact CE-CG 4.46Å; C308-L314 HydrophobicContact CB-CD1 4.49Å; V309-L314 HydrophobicContact CG2-CB 4.41Å; V309-L314 PolarHBondContact O-N 2.91Å; A312-L314 VanDerWaalsContact C-N 3.35Å; A312-L314 HydrophobicContact CB-CD1 4.21Å; A312-L314 HydrophobicContact CB-CG 3.99Å; A312-L314 PolarHBondContact O-N 2.74Å; L314-E316 PolarHBondContact O-N 3.42Å; L314-D317 PolarHBondContact O-N 2.97Å; L314-L318 WeakPolarHBondContact O-CB 3.23Å; L314-L318 PolarHBondContact O-N 3.15Å
315	R	85.7	Confident	86	Confident	79 Å²	79	49.5 Å²	49.5	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-68	-39.2	-169.9	-165.5	173.8	-171.6	-137.9	0.9	112.9	V309 D313 L318 S319 D373	V309-R315 HydrophobicContact CG1-CB 4.33Å; D313-R315 VanDerWaalsContact C-N 3.29Å; D313-R315 PolarHBondContact O-N 3.44Å; R315-L318 PolarHBondContact O-N 3.37Å; R315-S319 PolarHBondContact O-N 3.49Å; R315-D373 IonicContact CZ-OD2 2.69Å; R315-D373 IonicContact NE-OD1 3.45Å; R315-D373 IonicContact NE-OD2 3.83Å; R315-D373 IonicContact NH2-OD1 3.58Å; R315-D373 IonicContact NH2-OD2 3.1Å; R315-D373 PolarHBondContact NH2-OD2 2.91Å
316	E	86.5	Confident	86	Confident	153 Å²	153	49.5 Å²	49.5	72%	0.715	24%	0.239	S	C	*	.	H	α-helix	trans	-67.5	-41.4	176	-65.1	-171.6	171.6	0	0	112	L314 L318 S319 R320	L314-E316 PolarHBondContact O-N 3.42Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.16Å; E316-S319 PolarHBondContact O-N 3.38Å; E316-R320 WeakPolarHBondContact O-CB 3.39Å; E316-R320 PolarHBondContact O-N 2.94Å
317	D	88	Confident	86	Confident	43 Å²	43	53.5 Å²	53.5	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.9	-76.6	-19.7	0	0	0	110.8	M285 L314 R320 C321	M285-D317 HydrophobicContact CE-CB 4Å; M285-D317 HydrophobicContact SD-CB 4.19Å; L314-D317 PolarHBondContact O-N 2.97Å; D317-R320 PolarHBondContact O-N 2.92Å; D317-R320 IonicContact OD1-CZ 3.17Å; D317-R320 IonicContact OD1-NH1 2.99Å; D317-R320 PolarHBondContact OD1-NH1 3.33Å; D317-R320 IonicContact OD1-NH2 3.58Å; D317-C321 WeakPolarHBondContact O-CB 3.28Å; D317-C321 PolarHBondContact O-N 3.27Å; D317-C321 PolarHBondContact O-SG 2.89Å
318	L	90.1	Very high	86.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-47.9	174.2	179.6	68.6	0	0	0	111.3	M285 L288 L305 V309 L314 R315 E316 R320 C321 V322 V372 L378	M285-L318 HydrophobicContact CG-CD1 4.21Å; M285-L318 VanDerWaalsContact SD-CA 3.59Å; M285-L318 HydrophobicContact SD-CB 3.93Å; M285-L318 HydrophobicContact SD-CD1 4.24Å; L288-L318 HydrophobicContact CD2-CD1 3.96Å; L305-L318 HydrophobicContact CD2-CD1 4.25Å; V309-L318 HydrophobicContact CG1-CD2 4.23Å; V309-L318 HydrophobicContact CG2-CB 4.4Å; V309-L318 HydrophobicContact CG2-CD2 4.04Å; L314-L318 WeakPolarHBondContact O-CB 3.23Å; L314-L318 PolarHBondContact O-N 3.15Å; R315-L318 PolarHBondContact O-N 3.37Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.16Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.01Å; L318-C321 PolarHBondContact O-N 3.29Å; L318-V322 HydrophobicContact CD1-CG2 4.1Å; L318-V322 HydrophobicContact CG-CG2 4.3Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.34Å; L318-V322 PolarHBondContact O-N 2.94Å; L318-V372 HydrophobicContact CD1-CG1 4.22Å; L318-V372 HydrophobicContact CD2-CG1 3.49Å; L318-V372 VanDerWaalsContact CD2-CG1 3.49Å; L318-L378 HydrophobicContact CD2-CD1 3.5Å; L318-L378 HydrophobicContact CG-CD1 3.94Å
319	S	87.8	Confident	85.9	Confident	22 Å²	22	55.6 Å²	55.6	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-51	178.4	-172.1	0	0	0	0	111.3	R315 E316 C321 V322 L323 L378	R315-S319 PolarHBondContact O-N 3.49Å; E316-S319 PolarHBondContact O-N 3.38Å; S319-C321 VanDerWaalsContact C-N 3.34Å; S319-C321 PolarHBondContact O-N 2.67Å; S319-V322 PolarHBondContact O-N 3.46Å; S319-L323 WeakPolarHBondContact O-CG 3.45Å; S319-L323 PolarHBondContact O-N 3.33Å; S319-L378 VanDerWaalsContact CB-CD2 3.47Å; S319-L378 WeakPolarHBondContact OG-CD2 3.38Å
320	R	88.8	Confident	85.8	Confident	138 Å²	138	56.9 Å²	56.9	52%	0.521	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-44.8	179.1	-163.1	-174.8	-52	118.7	6.8	111.7	E316 D317 L318 T324	E316-R320 WeakPolarHBondContact O-CB 3.39Å; E316-R320 PolarHBondContact O-N 2.94Å; D317-R320 PolarHBondContact O-N 2.92Å; D317-R320 IonicContact OD1-CZ 3.17Å; D317-R320 IonicContact OD1-NH1 2.99Å; D317-R320 PolarHBondContact OD1-NH1 3.33Å; D317-R320 IonicContact OD1-NH2 3.58Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.01Å; R320-T324 VanDerWaalsContact O-CB 3.31Å; R320-T324 WeakPolarHBondContact O-CB 3.48Å; R320-T324 PolarHBondContact O-N 2.99Å; R320-T324 PolarHBondContact O-OG1 3.24Å
321	C	89.5	Confident	85.5	Confident	50 Å²	50	57.7 Å²	57.7	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-43.6	177.4	-81.4	0	0	0	0	112.6	D317 L318 S319 M325	D317-C321 WeakPolarHBondContact O-CB 3.28Å; D317-C321 PolarHBondContact O-N 3.27Å; D317-C321 PolarHBondContact O-SG 2.89Å; L318-C321 PolarHBondContact O-N 3.29Å; S319-C321 VanDerWaalsContact C-N 3.34Å; S319-C321 PolarHBondContact O-N 2.67Å; C321-M325 VanDerWaalsContact O-CB 3.32Å; C321-M325 WeakPolarHBondContact O-CB 3.12Å; C321-M325 PolarHBondContact O-N 3.14Å
322	V	89.3	Confident	84.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-47.9	179.2	174.4	0	0	0	0	110.8	L288 L318 S319 T324 M325 I326 L369 V382	L288-V322 HydrophobicContact CD2-CG2 3.61Å; L318-V322 HydrophobicContact CD1-CG2 4.1Å; L318-V322 HydrophobicContact CG-CG2 4.3Å; L318-V322 VanDerWaalsContact O-CG2 3.3Å; L318-V322 WeakPolarHBondContact O-CG2 3.34Å; L318-V322 PolarHBondContact O-N 2.94Å; S319-V322 PolarHBondContact O-N 3.46Å; V322-T324 VanDerWaalsContact C-N 3.34Å; V322-T324 PolarHBondContact O-N 2.63Å; V322-M325 WeakPolarHBondContact O-CB 3.36Å; V322-M325 PolarHBondContact O-N 3.49Å; V322-I326 HydrophobicContact CG1-CD1 3.71Å; V322-I326 WeakPolarHBondContact O-CB 3.12Å; V322-I326 VanDerWaalsContact O-CG1 3.28Å; V322-I326 WeakPolarHBondContact O-CG1 3.01Å; V322-I326 PolarHBondContact O-N 3.35Å; V322-L369 HydrophobicContact CG1-CD1 4.35Å; V322-L369 HydrophobicContact CG1-CD2 4.27Å; V322-L369 HydrophobicContact CG2-CD2 3.89Å; V322-V382 HydrophobicContact CG1-CG2 3.73Å
323	L	87.9	Confident	84.1	Confident	52 Å²	52	58.4 Å²	58.4	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-44.1	178.2	-71.2	171.1	0	0	0	111.6	S319 M325 I326 D327 V382 L385	S319-L323 WeakPolarHBondContact O-CG 3.45Å; S319-L323 PolarHBondContact O-N 3.33Å; L323-M325 PolarHBondContact O-N 2.62Å; L323-I326 PolarHBondContact O-N 3.03Å; L323-D327 WeakPolarHBondContact O-CB 3.45Å; L323-D327 PolarHBondContact O-N 3.17Å; L323-V382 HydrophobicContact CD2-CG2 3.97Å; L323-L385 HydrophobicContact CD2-CD1 4.28Å
324	T	88.1	Confident	82.6	Confident	79 Å²	79	54.1 Å²	54.1	49%	0.485	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-42.4	178.1	-53.3	0	0	0	0	111.7	R320 V322 I326 E328	R320-T324 VanDerWaalsContact O-CB 3.31Å; R320-T324 WeakPolarHBondContact O-CB 3.48Å; R320-T324 PolarHBondContact O-N 2.99Å; R320-T324 PolarHBondContact O-OG1 3.24Å; V322-T324 VanDerWaalsContact C-N 3.34Å; V322-T324 PolarHBondContact O-N 2.63Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.23Å; T324-E328 WeakPolarHBondContact O-CB 3.5Å; T324-E328 PolarHBondContact O-N 3.3Å
325	M	89.1	Confident	80.5	Confident	23 Å²	23	57 Å²	57	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-42.7	175.8	177.3	-162.7	-54.2	0	0	111.5	L288 F289 I292 C321 V322 L323 E328 F329 F361	L288-M325 HydrophobicContact CB-CE 3.52Å; L288-M325 HydrophobicContact CD2-CE 3.67Å; L288-M325 HydrophobicContact CG-CE 3.53Å; F289-M325 HydrophobicContact CB-CE 3.92Å; F289-M325 HydrophobicContact CB-CG 4.11Å; F289-M325 HydrophobicContact CB-SD 3.88Å; F289-M325 HydrophobicContact CD2-CG 3.8Å; F289-M325 HydrophobicContact CD2-SD 3.79Å; F289-M325 HydrophobicContact CG-CG 4.44Å; F289-M325 HydrophobicContact CG-SD 4.34Å; I292-M325 HydrophobicContact CD1-CE 4Å; I292-M325 HydrophobicContact CD1-SD 3.87Å; C321-M325 VanDerWaalsContact O-CB 3.32Å; C321-M325 WeakPolarHBondContact O-CB 3.12Å; C321-M325 PolarHBondContact O-N 3.14Å; V322-M325 WeakPolarHBondContact O-CB 3.36Å; V322-M325 PolarHBondContact O-N 3.49Å; L323-M325 PolarHBondContact O-N 2.62Å; M325-E328 PolarHBondContact O-N 2.57Å; M325-F329 WeakPolarHBondContact O-CB 3.4Å; M325-F329 PolarHBondContact O-N 3.21Å; M325-F361 HydrophobicContact SD-CZ 4.22Å
326	I	86.4	Confident	78.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-77.3	-38.8	-173.1	-69.9	175	0	0	0	111.2	V322 L323 T324 E328 F329 I330 L365 V382 L386	V322-I326 HydrophobicContact CG1-CD1 3.71Å; V322-I326 WeakPolarHBondContact O-CB 3.12Å; V322-I326 VanDerWaalsContact O-CG1 3.28Å; V322-I326 WeakPolarHBondContact O-CG1 3.01Å; V322-I326 PolarHBondContact O-N 3.35Å; L323-I326 PolarHBondContact O-N 3.03Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.23Å; I326-E328 VanDerWaalsContact C-N 3.27Å; I326-E328 PolarHBondContact O-N 3.12Å; I326-F329 WeakPolarHBondContact O-CB 3.27Å; I326-F329 PolarHBondContact O-N 3.38Å; I326-I330 HydrophobicContact CG2-CD1 3.79Å; I326-I330 HydrophobicContact CG2-CG1 4.36Å; I326-I330 WeakPolarHBondContact O-CB 3.2Å; I326-I330 VanDerWaalsContact O-CG1 3.27Å; I326-I330 WeakPolarHBondContact O-CG1 3.45Å; I326-I330 PolarHBondContact O-N 3.35Å; I326-L365 HydrophobicContact CD1-CD1 4.38Å; I326-L365 HydrophobicContact CD1-CD2 3.7Å; I326-V382 HydrophobicContact CD1-CB 4.13Å; I326-V382 HydrophobicContact CD1-CG1 3Å; I326-V382 HydrophobicContact CD1-CG2 4.03Å; I326-V382 HydrophobicContact CG1-CG1 4.41Å; I326-L386 HydrophobicContact CD1-CD1 4.1Å; I326-L386 HydrophobicContact CG1-CD1 4.5Å; I326-L386 HydrophobicContact CG2-CD1 4.21Å; I326-L386 HydrophobicContact CG2-CD2 4.11Å; I326-L386 HydrophobicContact CG2-CG 3.88Å
327	D	83.6	Confident	75.6	Confident	90 Å²	90	64.9 Å²	64.9	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-42.9	169.4	-175.9	59	0	0	0	111	L323 F329 I330 R331	L323-D327 WeakPolarHBondContact O-CB 3.45Å; L323-D327 PolarHBondContact O-N 3.17Å; D327-F329 PolarHBondContact O-N 2.84Å; D327-I330 PolarHBondContact O-N 3.03Å; D327-R331 VanDerWaalsContact O-CB 3.23Å; D327-R331 WeakPolarHBondContact O-CB 3.42Å; D327-R331 PolarHBondContact O-N 3.34Å; D327-R331 IonicContact OD2-CZ 2.82Å; D327-R331 IonicContact OD2-NE 2.73Å; D327-R331 IonicContact OD2-NH2 3.43Å; D327-R331 PolarHBondContact OD2-NH2 3.41Å
328	E	83	Confident	72.9	Confident	64 Å²	64	68 Å²	68	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-37.6	175.8	-171.9	165.1	-171.4	0	0	113.3	T324 M325 I326 R332	T324-E328 WeakPolarHBondContact O-CB 3.5Å; T324-E328 PolarHBondContact O-N 3.3Å; M325-E328 PolarHBondContact O-N 2.57Å; I326-E328 VanDerWaalsContact C-N 3.27Å; I326-E328 PolarHBondContact O-N 3.12Å; E328-R332 WeakPolarHBondContact O-CB 3.47Å; E328-R332 WeakPolarHBondContact O-CG 3.47Å; E328-R332 PolarHBondContact O-N 3.4Å; E328-R332 IonicContact OE1-CZ 2.83Å; E328-R332 IonicContact OE1-NE 2.99Å; E328-R332 IonicContact OE1-NH1 2.85Å; E328-R332 PolarHBondContact OE1-NH1 3.46Å; E328-R332 VanDerWaalsContact OE1-NH1 3.15Å; E328-R332 IonicContact OE1-NH2 3.01Å; E328-R332 PolarHBondContact OE1-NH2 3.17Å
329	F	82.9	Confident	70	Confident	17 Å²	17	71.5 Å²	71.5	8%	0.075	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-51.2	173.2	-179.1	-97.7	0	0	0	111.4	F289 M325 I326 D327 R332 S333 V353 Y357 A358 F361 L386	F289-F329 HydrophobicContact CE2-CD2 4.05Å; M325-F329 WeakPolarHBondContact O-CB 3.4Å; M325-F329 PolarHBondContact O-N 3.21Å; I326-F329 WeakPolarHBondContact O-CB 3.27Å; I326-F329 PolarHBondContact O-N 3.38Å; D327-F329 PolarHBondContact O-N 2.84Å; F329-R332 PolarHBondContact O-N 2.83Å; F329-S333 WeakPolarHBondContact O-CB 3.34Å; F329-S333 PolarHBondContact O-N 3.49Å; F329-S333 PolarHBondContact O-OG 3.16Å; F329-V353 HydrophobicContact CE2-CG1 4.49Å; F329-V353 HydrophobicContact CZ-CG1 4.33Å; F329-Y357 HydrophobicContact CE2-CD1 4.42Å; F329-Y357 HydrophobicContact CE2-CE1 4.05Å; F329-A358 HydrophobicContact CE1-CB 4.32Å; F329-A358 HydrophobicContact CZ-CB 4.09Å; F329-F361 HydrophobicContact CD1-CD1 4.47Å; F329-F361 HydrophobicContact CD2-CD1 4.37Å; F329-F361 HydrophobicContact CD2-CE1 4.35Å; F329-F361 HydrophobicContact CE1-CD1 4.21Å; F329-F361 HydrophobicContact CE2-CD1 4.1Å; F329-F361 HydrophobicContact CE2-CG 4.28Å; F329-F361 HydrophobicContact CG-CE1 4.36Å; F329-F361 HydrophobicContact CZ-CB 4.43Å; F329-F361 HydrophobicContact CZ-CD1 4.02Å; F329-F361 HydrophobicContact CZ-CG 4.35Å; F329-L386 HydrophobicContact CD1-CD2 3.9Å; F329-L386 HydrophobicContact CE1-CD2 4.12Å
330	I	81.5	Confident	67.6	Low	41 Å²	41	76.6 Å²	76.6	21%	0.21	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-46.2	-179.4	-70.8	170	0	0	0	110.8	I326 D327 R332 S333 G334 L385 L386 H389	I326-I330 HydrophobicContact CG2-CD1 3.79Å; I326-I330 HydrophobicContact CG2-CG1 4.36Å; I326-I330 WeakPolarHBondContact O-CB 3.2Å; I326-I330 VanDerWaalsContact O-CG1 3.27Å; I326-I330 WeakPolarHBondContact O-CG1 3.45Å; I326-I330 PolarHBondContact O-N 3.35Å; D327-I330 PolarHBondContact O-N 3.03Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.85Å; I330-S333 WeakPolarHBondContact CA-OG 3.42Å; I330-S333 PolarHBondContact O-N 3.28Å; I330-S333 PolarHBondContact O-OG 2.93Å; I330-G334 PolarHBondContact O-N 3.38Å; I330-L385 HydrophobicContact CD1-CB 4.23Å; I330-L386 HydrophobicContact CD1-CD2 4.45Å; I330-L386 HydrophobicContact CG1-CD2 4.26Å; I330-H389 HydrophobicContact CD1-CB 4.42Å; I330-H389 HydrophobicContact CG1-CB 4.2Å
331	R	75.7	Confident	64.9	Low	108 Å²	108	75.7 Å²	75.7	41%	0.408	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-40.5	-179.5	-164.1	-169.6	-32.4	104.3	5.5	112.1	D327 M335	D327-R331 VanDerWaalsContact O-CB 3.23Å; D327-R331 WeakPolarHBondContact O-CB 3.42Å; D327-R331 PolarHBondContact O-N 3.34Å; D327-R331 IonicContact OD2-CZ 2.82Å; D327-R331 IonicContact OD2-NE 2.73Å; D327-R331 IonicContact OD2-NH2 3.43Å; D327-R331 PolarHBondContact OD2-NH2 3.41Å; R331-M335 HydrophobicContact CG-CE 4.47Å; R331-M335 WeakPolarHBondContact O-CG 3.39Å; R331-M335 PolarHBondContact O-N 2.89Å
332	R	65.9	Low	62.2	Low	106 Å²	106	81 Å²	81	40%	0.4	42%	0.424	S	S	.	.	H	α-helix	trans	-75.7	-32.3	179	-74.7	-176.5	173.9	149.3	7.9	113.2	E328 F329 I330	E328-R332 WeakPolarHBondContact O-CB 3.47Å; E328-R332 WeakPolarHBondContact O-CG 3.47Å; E328-R332 PolarHBondContact O-N 3.4Å; E328-R332 IonicContact OE1-CZ 2.83Å; E328-R332 IonicContact OE1-NE 2.99Å; E328-R332 IonicContact OE1-NH1 2.85Å; E328-R332 PolarHBondContact OE1-NH1 3.46Å; E328-R332 VanDerWaalsContact OE1-NH1 3.15Å; E328-R332 IonicContact OE1-NH2 3.01Å; E328-R332 PolarHBondContact OE1-NH2 3.17Å; F329-R332 PolarHBondContact O-N 2.83Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.85Å
333	S	65.5	Low	59.3	Low	9 Å²	9	84.3 Å²	84.3	6%	0.063	45%	0.451	C	S	.	.	H	α-helix	trans	-82.8	-17.3	178.1	44.1	0	0	0	0	113.6	F329 I330 H389	F329-S333 WeakPolarHBondContact O-CB 3.34Å; F329-S333 PolarHBondContact O-N 3.49Å; F329-S333 PolarHBondContact O-OG 3.16Å; I330-S333 WeakPolarHBondContact CA-OG 3.42Å; I330-S333 PolarHBondContact O-N 3.28Å; I330-S333 PolarHBondContact O-OG 2.93Å; S333-H389 PolarHBondContact OG-NE2 2.92Å
334	G	53	Low	56.5	Low	55 Å²	55	92.9 Å²	92.9	57%	0.567	48%	0.48	S	S	*	.	S	Bend	trans	-94	-3.7	173.9	0	0	0	0	0	115.6	I330 R336	I330-G334 PolarHBondContact O-N 3.38Å; G334-R336 PolarHBondContact O-N 3.3Å
335	M	41.3	Very low	53.9	Low	67 Å²	67	97.4 Å²	97.4	33%	0.33	50%	0.495	S	S	.	.			trans	-82.6	97.5	-178.2	-95.1	-177.2	-179.3	0	0	111.9	R331 F337 P339	R331-M335 HydrophobicContact CG-CE 4.47Å; R331-M335 WeakPolarHBondContact O-CG 3.39Å; R331-M335 PolarHBondContact O-N 2.89Å; M335-F337 PolarHBondContact O-N 2.82Å; M335-F337 VanDerWaalsContact O-N 3.16Å; M335-P339 HydrophobicContact CE-CG 3.75Å; M335-P339 WeakPolarHBondContact SD-CD 3.26Å; M335-P339 HydrophobicContact SD-CG 4.26Å
336	R	40.8	Very low	51.2	Low	222 Å²	222	107 Å²	107	84%	0.838	53%	0.53	S	S	*	.	S	Bend	trans	-61.7	-15.2	165.8	-138.4	175.3	-170.1	178.5	2.3	113	G334	G334-R336 PolarHBondContact O-N 3.3Å
337	F	29.9	Very low	48.8	Very low	176 Å²	176	110.7 Å²	110.7	77%	0.772	55%	0.549	S	S	*	.	S	Bend	trans	-149.1	124.1	174.1	-77.2	-86.3	0	0	0	110.1	M335	M335-F337 PolarHBondContact O-N 2.82Å; M335-F337 VanDerWaalsContact O-N 3.16Å
338	P	30.6	Very low	46.7	Very low	109 Å²	109	111.7 Å²	111.7	71%	0.708	56%	0.561	S	S	*	*			trans	-77.3	137.9	174.3	30.2	-30.6	0	0	0	110.6
339	P	29	Very low	44.5	Very low	74 Å²	74	115.4 Å²	115.4	48%	0.481	58%	0.576	S	S	.	*			trans	-71.5	142.4	172.3	28.7	-32.1	0	0	0	109.9	M335 T341	M335-P339 HydrophobicContact CE-CG 3.75Å; M335-P339 WeakPolarHBondContact SD-CD 3.26Å; M335-P339 HydrophobicContact SD-CG 4.26Å; P339-T341 PolarHBondContact O-N 2.78Å
340	P	37.1	Very low	42.4	Very low	129 Å²	129	119.9 Å²	119.9	84%	0.838	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	4.7	-167.1	27	-33.5	0	0	0	116.1
341	T	33.2	Very low	40.5	Very low	119 Å²	119	121.7 Å²	121.7	73%	0.73	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	-0.7	-156.3	4.6	0	0	0	0	118.3	P339	P339-T341 PolarHBondContact O-N 2.78Å
342	I	32.4	Very low	39.5	Very low	161 Å²	161	121.9 Å²	121.9	83%	0.826	65%	0.647	S	S	*	*			trans	-118.5	76.9	179.4	-50.2	178.5	0	0	0	110.7
343	A	28.6	Very low	39.4	Very low	70 Å²	70	118 Å²	118	58%	0.579	64%	0.635	S	S	*	*			trans	-92.4	6.8	-175.6	0	0	0	0	0	115.1
344	R	28.7	Very low	39.8	Very low	231 Å²	231	120.5 Å²	120.5	87%	0.872	65%	0.652	S	S	*	*	S	Bend	trans	-94.9	-21.7	-163.1	-77	-170.2	176.3	-179.6	0.4	118
345	H	33.6	Very low	41.1	Very low	175 Å²	175	117.9 Å²	117.9	81%	0.81	63%	0.625	S	S	*	*	S	Bend	trans	-131.6	83.1	171.3	-76.4	11.5	0	0	0	109.7	L347	H345-L347 PolarHBondContact O-N 2.87Å
346	R	32.4	Very low	42.7	Very low	224 Å²	224	115.4 Å²	115.4	85%	0.845	62%	0.617	S	S	*	*			trans	-70.7	109.7	176	-74.1	-174.5	-165.4	-175.1	2.7	110.1
347	L	36.3	Very low	44.5	Very low	78 Å²	78	107.1 Å²	107.1	41%	0.408	59%	0.586	S	S	.	*			trans	-73.7	150.3	146	-84.1	152.4	0	0	0	108.6	H345 F349	H345-L347 PolarHBondContact O-N 2.87Å; L347-F349 PolarHBondContact O-N 3.31Å
348	P	38.9	Very low	47	Very low	111 Å²	111	98.9 Å²	98.9	72%	0.721	55%	0.55	S	S	*	*	S	Bend	trans	-76.7	17.2	-160.2	-11.4	27.7	0	0	0	116.8
349	F	37.6	Very low	49.3	Very low	141 Å²	141	93.7 Å²	93.7	62%	0.618	52%	0.516	S	S	*	.			trans	-121.6	102	-171.4	-72.9	-85.2	0	0	0	111.1	L347	L347-F349 PolarHBondContact O-N 3.31Å
350	A	38	Very low	51.7	Low	112 Å²	112	93.4 Å²	93.4	93%	0.926	51%	0.51	S	S	*	.			trans	-117.5	26.7	178.6	0	0	0	0	0	112.8
351	A	41.1	Very low	53.9	Low	79 Å²	79	87.2 Å²	87.2	65%	0.653	47%	0.47	S	S	*	.	S	Bend	trans	-127	144.7	172.2	0	0	0	0	0	109	V353	A351-V353 PolarHBondContact O-N 3.32Å
352	D	55.2	Low	56.3	Low	111 Å²	111	81.7 Å²	81.7	59%	0.594	44%	0.436	S	S	*	.			trans	-39.8	114.7	176.3	-86.3	-34.2	0	0	0	110.3	S354	D352-S354 PolarHBondContact O-N 3Å; D352-S354 VanDerWaalsContact O-N 3.14Å
353	V	63.2	Low	58.5	Low	26 Å²	26	75 Å²	75	16%	0.158	40%	0.401	C	S	.	.			trans	-61.3	120.8	-177.8	178.1	0	0	0	0	107.6	F329 A351 Y357 R393	F329-V353 HydrophobicContact CE2-CG1 4.49Å; F329-V353 HydrophobicContact CZ-CG1 4.33Å; A351-V353 PolarHBondContact O-N 3.32Å; V353-Y357 HydrophobicContact CG1-CD1 3.43Å; V353-Y357 VanDerWaalsContact CG1-CD1 3.43Å; V353-Y357 HydrophobicContact CG1-CE1 4.28Å; V353-Y357 HydrophobicContact CG1-CG 4.18Å; V353-R393 VanDerWaalsContact O-CZ 3.25Å; V353-R393 PolarHBondContact O-NH1 2.89Å; V353-R393 PolarHBondContact O-NH2 2.99Å
354	S	75.2	Confident	60.9	Low	60 Å²	60	75.1 Å²	75.1	42%	0.42	39%	0.387	S	S	.	.			trans	-61.7	145.4	179.4	68.9	0	0	0	0	110.8	D352 G356 Y357 A358	D352-S354 PolarHBondContact O-N 3Å; D352-S354 VanDerWaalsContact O-N 3.14Å; S354-G356 PolarHBondContact O-N 3.07Å; S354-Y357 PolarHBondContact O-N 3.45Å; S354-Y357 PolarHBondContact OG-N 2.99Å; S354-A358 PolarHBondContact O-N 3.03Å; S354-A358 VanDerWaalsContact O-N 3.12Å
355	T	79.4	Confident	63.7	Low	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.7	-35.9	178.4	-51.6	0	0	0	0	111.3	A358 L359 R393 D395 M396 Y399	T355-A358 PolarHBondContact O-N 3.4Å; T355-L359 WeakPolarHBondContact O-CG 3.45Å; T355-L359 PolarHBondContact O-N 3.2Å; T355-R393 HydrophobicContact CG2-CB 4.45Å; T355-R393 PolarHBondContact OG1-NE 3.3Å; T355-R393 PolarHBondContact OG1-NH2 3.27Å; T355-R393 VanDerWaalsContact OG1-NH2 3.14Å; T355-D395 WeakPolarHBondContact CB-OD2 3.29Å; T355-D395 PolarHBondContact OG1-OD1 3.05Å; T355-D395 PolarHBondContact OG1-OD2 3.26Å; T355-M396 HydrophobicContact CG2-CB 4.33Å; T355-Y399 HydrophobicContact CG2-CD2 4.3Å
356	G	76.1	Confident	65.9	Low	16 Å²	16	56.3 Å²	56.3	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-45.5	172.4	0	0	0	0	0	113.4	S354 L359 I360	S354-G356 PolarHBondContact O-N 3.07Å; G356-L359 PolarHBondContact O-N 3.16Å; G356-I360 WeakPolarHBondContact O-CG1 3.48Å; G356-I360 PolarHBondContact O-N 3.18Å
357	Y	79.2	Confident	68	Low	48 Å²	48	46.8 Å²	46.8	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-41.3	176.8	-179.9	-92.7	0	0	0	111.7	D293 F329 V353 S354 L359 I360 F361	D293-Y357 VanDerWaalsContact CG-OH 3.22Å; D293-Y357 PolarHBondContact OD1-OH 3.41Å; F329-Y357 HydrophobicContact CE2-CD1 4.42Å; F329-Y357 HydrophobicContact CE2-CE1 4.05Å; V353-Y357 HydrophobicContact CG1-CD1 3.43Å; V353-Y357 VanDerWaalsContact CG1-CD1 3.43Å; V353-Y357 HydrophobicContact CG1-CE1 4.28Å; V353-Y357 HydrophobicContact CG1-CG 4.18Å; S354-Y357 PolarHBondContact O-N 3.45Å; S354-Y357 PolarHBondContact OG-N 2.99Å; Y357-L359 VanDerWaalsContact C-N 3.32Å; Y357-L359 PolarHBondContact O-N 3.31Å; Y357-I360 PolarHBondContact O-N 3.19Å; Y357-F361 HydrophobicContact CE1-CB 4.31Å; Y357-F361 WeakPolarHBondContact O-CB 3.45Å; Y357-F361 PolarHBondContact O-N 2.92Å
358	A	82.3	Confident	70.2	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-39.4	178.5	0	0	0	0	0	112.5	F329 S354 T355 Y362 L390	F329-A358 HydrophobicContact CE1-CB 4.32Å; F329-A358 HydrophobicContact CZ-CB 4.09Å; S354-A358 PolarHBondContact O-N 3.03Å; S354-A358 VanDerWaalsContact O-N 3.12Å; T355-A358 PolarHBondContact O-N 3.4Å; A358-Y362 WeakPolarHBondContact O-CB 3.37Å; A358-Y362 PolarHBondContact O-N 3.26Å; A358-L390 HydrophobicContact CB-CD2 3.72Å
359	L	78.9	Confident	72.4	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-44.9	173.5	-73.4	170.3	0	0	0	112.2	T355 G356 Y357 F361 Y362 I363 L390 L400 L403 I486	T355-L359 WeakPolarHBondContact O-CG 3.45Å; T355-L359 PolarHBondContact O-N 3.2Å; G356-L359 PolarHBondContact O-N 3.16Å; Y357-L359 VanDerWaalsContact C-N 3.32Å; Y357-L359 PolarHBondContact O-N 3.31Å; L359-F361 VanDerWaalsContact C-N 3.34Å; L359-F361 PolarHBondContact O-N 2.76Å; L359-Y362 WeakPolarHBondContact O-CB 3.47Å; L359-Y362 PolarHBondContact O-N 2.76Å; L359-I363 WeakPolarHBondContact O-CG1 3.18Å; L359-I363 PolarHBondContact O-N 3.14Å; L359-I363 VanDerWaalsContact O-N 3.07Å; L359-L390 HydrophobicContact CD2-CD1 3.9Å; L359-L390 HydrophobicContact CD2-CD2 4.12Å; L359-L390 HydrophobicContact CG-CD2 4.23Å; L359-L400 HydrophobicContact CD1-CB 4.24Å; L359-L400 HydrophobicContact CD1-CD1 4.22Å; L359-L400 HydrophobicContact CD2-CD1 4.03Å; L359-L403 HydrophobicContact CB-CD2 4.06Å; L359-L403 HydrophobicContact CD1-CD2 4.45Å; L359-I486 HydrophobicContact CD2-CD1 3.82Å
360	I	78.5	Confident	74.3	Confident	68 Å²	68	32.1 Å²	32.1	35%	0.349	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-44.4	177.4	-68.3	166.6	0	0	0	110.5	G356 Y357 Y362 I363 R364	G356-I360 WeakPolarHBondContact O-CG1 3.48Å; G356-I360 PolarHBondContact O-N 3.18Å; Y357-I360 PolarHBondContact O-N 3.19Å; I360-Y362 VanDerWaalsContact C-N 3.33Å; I360-Y362 PolarHBondContact O-N 3.28Å; I360-I363 PolarHBondContact O-N 3.1Å; I360-R364 WeakPolarHBondContact O-CG 3.38Å; I360-R364 PolarHBondContact O-N 3.19Å
361	F	83.3	Confident	76.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-42.9	176.4	-178.9	-99.5	0	0	0	111.3	F289 I292 M325 F329 Y357 L359 I363 R364 L365	F289-F361 AromaticContact CD2-CE2 3.8Å; F289-F361 HydrophobicContact CD2-CE2 3.8Å; F289-F361 AromaticContact CD2-CZ 3.81Å; F289-F361 HydrophobicContact CD2-CZ 3.81Å; F289-F361 HydrophobicContact CE2-CD2 4.19Å; F289-F361 HydrophobicContact CE2-CE1 4.49Å; F289-F361 AromaticContact CE2-CE2 3.42Å; F289-F361 HydrophobicContact CE2-CE2 3.42Å; F289-F361 VanDerWaalsContact CE2-CE2 3.42Å; F289-F361 AromaticContact CE2-CZ 3.61Å; F289-F361 HydrophobicContact CE2-CZ 3.61Å; F289-F361 HydrophobicContact CZ-CE2 4.07Å; I292-F361 HydrophobicContact CB-CE2 4.29Å; I292-F361 HydrophobicContact CG2-CD2 4.22Å; I292-F361 HydrophobicContact CG2-CE2 3.67Å; I292-F361 HydrophobicContact CG2-CZ 4.1Å; M325-F361 HydrophobicContact SD-CZ 4.22Å; F329-F361 HydrophobicContact CD1-CD1 4.47Å; F329-F361 HydrophobicContact CD2-CD1 4.37Å; F329-F361 HydrophobicContact CD2-CE1 4.35Å; F329-F361 HydrophobicContact CE1-CD1 4.21Å; F329-F361 HydrophobicContact CE2-CD1 4.1Å; F329-F361 HydrophobicContact CE2-CG 4.28Å; F329-F361 HydrophobicContact CG-CE1 4.36Å; F329-F361 HydrophobicContact CZ-CB 4.43Å; F329-F361 HydrophobicContact CZ-CD1 4.02Å; F329-F361 HydrophobicContact CZ-CG 4.35Å; Y357-F361 HydrophobicContact CE1-CB 4.31Å; Y357-F361 WeakPolarHBondContact O-CB 3.45Å; Y357-F361 PolarHBondContact O-N 2.92Å; L359-F361 VanDerWaalsContact C-N 3.34Å; L359-F361 PolarHBondContact O-N 2.76Å; F361-I363 VanDerWaalsContact C-N 3.32Å; F361-I363 PolarHBondContact O-N 2.95Å; F361-R364 PolarHBondContact O-N 3.27Å; F361-L365 VanDerWaalsContact O-CB 3.27Å; F361-L365 WeakPolarHBondContact O-CB 3.25Å; F361-L365 PolarHBondContact O-N 3.43Å
362	Y	83.6	Confident	78	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-41.8	175.3	176.2	-110.1	0	0	0	112.5	A358 L359 I360 L365 L366 F379 S383 L386 K387 L390 I482 I486	A358-Y362 WeakPolarHBondContact O-CB 3.37Å; A358-Y362 PolarHBondContact O-N 3.26Å; L359-Y362 WeakPolarHBondContact O-CB 3.47Å; L359-Y362 PolarHBondContact O-N 2.76Å; I360-Y362 VanDerWaalsContact C-N 3.33Å; I360-Y362 PolarHBondContact O-N 3.28Å; Y362-L365 PolarHBondContact O-N 3.46Å; Y362-L366 WeakPolarHBondContact O-CB 3.22Å; Y362-L366 PolarHBondContact O-N 3.21Å; Y362-F379 HydrophobicContact CE2-CE2 4.15Å; Y362-F379 HydrophobicContact CE2-CZ 4.45Å; Y362-F379 WeakPolarHBondContact OH-CZ 3.49Å; Y362-S383 PolarHBondContact OH-OG 3.38Å; Y362-L386 HydrophobicContact CD2-CB 3.96Å; Y362-L386 HydrophobicContact CD2-CD1 3.99Å; Y362-L386 HydrophobicContact CE2-CB 4.33Å; Y362-K387 WeakPolarHBondContact OH-CE 3.43Å; Y362-L390 HydrophobicContact CG-CD1 4.42Å; Y362-I482 HydrophobicContact CE1-CG2 3.72Å; Y362-I482 WeakPolarHBondContact OH-CG2 3.48Å; Y362-I486 HydrophobicContact CD1-CD1 4.03Å; Y362-I486 HydrophobicContact CE1-CD1 3.95Å; Y362-I486 HydrophobicContact CE1-CG1 4.21Å
363	I	77.8	Confident	79.1	Confident	20 Å²	20	19.4 Å²	19.4	10%	0.103	10%	0.102	C	C	.	.	H	α-helix	trans	-65.4	-43.1	175.5	-65.1	166.4	0	0	0	111.3	L359 I360 F361 L365 K367 L403 M479 L483	L359-I363 WeakPolarHBondContact O-CG1 3.18Å; L359-I363 PolarHBondContact O-N 3.14Å; L359-I363 VanDerWaalsContact O-N 3.07Å; I360-I363 PolarHBondContact O-N 3.1Å; F361-I363 VanDerWaalsContact C-N 3.32Å; F361-I363 PolarHBondContact O-N 2.95Å; I363-L365 VanDerWaalsContact C-N 3.35Å; I363-K367 HydrophobicContact CG2-CD 4.3Å; I363-K367 WeakPolarHBondContact O-CG 3.12Å; I363-K367 PolarHBondContact O-N 3Å; I363-K367 VanDerWaalsContact O-N 3.15Å; I363-L403 HydrophobicContact CD1-CD2 3.91Å; I363-M479 HydrophobicContact CG2-CG 4.49Å; I363-M479 HydrophobicContact CG2-SD 3.78Å; I363-L483 HydrophobicContact CD1-CD1 4.44Å; I363-L483 HydrophobicContact CD1-CD2 4.18Å; I363-L483 HydrophobicContact CG1-CD2 4.2Å
364	R	80.6	Confident	79.3	Confident	73 Å²	73	18.9 Å²	18.9	28%	0.275	10%	0.099	S	C	.	.	H	α-helix	trans	-64	-41.5	176.8	-73.2	177.3	174.4	158.4	1.5	111.6	I292 D293 F295 I360 F361 K367 S368	I292-R364 HydrophobicContact CG2-CB 4.03Å; I292-R364 WeakPolarHBondContact O-CB 3.23Å; I292-R364 WeakPolarHBondContact O-CD 3.4Å; D293-R364 WeakPolarHBondContact O-CD 3.25Å; D293-R364 PolarHBondContact O-NE 3.4Å; D293-R364 PolarHBondContact O-NH1 3.49Å; D293-R364 IonicContact OD1-NH1 2.57Å; D293-R364 PolarHBondContact OD1-NH1 2.89Å; D293-R364 VanDerWaalsContact OD1-NH1 3.12Å; F295-R364 HydrophobicContact CB-CB 4.42Å; F295-R364 HydrophobicContact CB-CG 4.36Å; I360-R364 WeakPolarHBondContact O-CG 3.38Å; I360-R364 PolarHBondContact O-N 3.19Å; F361-R364 PolarHBondContact O-N 3.27Å; R364-K367 PolarHBondContact O-N 3.06Å; R364-S368 VanDerWaalsContact O-CB 3.26Å; R364-S368 WeakPolarHBondContact O-CB 3.28Å; R364-S368 PolarHBondContact O-N 3.29Å; R364-S368 PolarHBondContact O-OG 3.43Å
365	L	86	Confident	79.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-50.7	177.4	177.4	70.9	0	0	0	110.8	I292 I326 F361 Y362 I363 K367 S368 L369 V382 L386	I292-L365 HydrophobicContact CD1-CD1 3.61Å; I292-L365 HydrophobicContact CG1-CD1 4.49Å; I292-L365 HydrophobicContact CG2-CB 4.1Å; I292-L365 HydrophobicContact CG2-CD1 4.41Å; I326-L365 HydrophobicContact CD1-CD1 4.38Å; I326-L365 HydrophobicContact CD1-CD2 3.7Å; F361-L365 VanDerWaalsContact O-CB 3.27Å; F361-L365 WeakPolarHBondContact O-CB 3.25Å; F361-L365 PolarHBondContact O-N 3.43Å; Y362-L365 PolarHBondContact O-N 3.46Å; I363-L365 VanDerWaalsContact C-N 3.35Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.2Å; L365-S368 PolarHBondContact O-N 2.91Å; L365-L369 HydrophobicContact CD1-CD1 3.7Å; L365-L369 HydrophobicContact CD1-CD2 4.36Å; L365-L369 HydrophobicContact CD1-CG 3.78Å; L365-L369 HydrophobicContact CD2-CD1 4.41Å; L365-L369 HydrophobicContact CG-CD1 3.79Å; L365-L369 HydrophobicContact CG-CG 4.16Å; L365-L369 WeakPolarHBondContact O-CB 3.27Å; L365-L369 WeakPolarHBondContact O-CG 3.34Å; L365-L369 PolarHBondContact O-N 3.41Å; L365-V382 HydrophobicContact CD2-CG1 4Å; L365-L386 HydrophobicContact CD2-CD1 3.2Å
366	L	80.4	Confident	78.8	Confident	11 Å²	11	18.9 Å²	18.9	6%	0.058	10%	0.098	C	C	.	.	H	α-helix	trans	-50.3	-54.3	174.9	168.2	79.2	0	0	0	110.9	Y362 S368 H370 F379 I482	Y362-L366 WeakPolarHBondContact O-CB 3.22Å; Y362-L366 PolarHBondContact O-N 3.21Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 3.12Å; L366-H370 VanDerWaalsContact O-CB 3.29Å; L366-H370 WeakPolarHBondContact O-CB 3.33Å; L366-H370 PolarHBondContact O-N 2.8Å; L366-F379 HydrophobicContact CB-CD2 4.42Å; L366-F379 HydrophobicContact CB-CE2 3.89Å; L366-F379 HydrophobicContact CD1-CD1 4.09Å; L366-F379 HydrophobicContact CD1-CD2 3.74Å; L366-F379 HydrophobicContact CD1-CE1 3.67Å; L366-F379 HydrophobicContact CD1-CE2 3.28Å; L366-F379 HydrophobicContact CD1-CG 4.12Å; L366-F379 HydrophobicContact CD1-CZ 3.25Å; L366-F379 HydrophobicContact CG-CE2 4.21Å; L366-F379 HydrophobicContact CG-CZ 4.44Å; L366-I482 HydrophobicContact CD1-CD1 3.61Å; L366-I482 HydrophobicContact CD2-CD1 3.22Å; L366-I482 HydrophobicContact CD2-CG1 4.49Å; L366-I482 HydrophobicContact CD2-CG2 4.36Å; L366-I482 HydrophobicContact CG-CD1 4.02Å
367	K	75.8	Confident	78.9	Confident	25 Å²	25	25.7 Å²	25.7	11%	0.109	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-176.6	-71.1	177.2	178.7	175.2	0	111.8	F295 I363 R364 L365 L371 W425	F295-K367 HydrophobicContact CE1-CB 4.03Å; F295-K367 HydrophobicContact CE1-CD 3.81Å; F295-K367 HydrophobicContact CZ-CB 4Å; F295-K367 HydrophobicContact CZ-CD 4.35Å; I363-K367 HydrophobicContact CG2-CD 4.3Å; I363-K367 WeakPolarHBondContact O-CG 3.12Å; I363-K367 PolarHBondContact O-N 3Å; I363-K367 VanDerWaalsContact O-N 3.15Å; R364-K367 PolarHBondContact O-N 3.06Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.2Å; K367-L371 WeakPolarHBondContact O-CG 3.44Å; K367-L371 PolarHBondContact O-N 2.82Å; K367-W425 HydrophobicContact CG-CH2 4.05Å
368	S	83.9	Confident	79	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-45.9	-178.9	-57.1	0	0	0	0	111.8	R364 L365 L366 H370 L371 V372	R364-S368 VanDerWaalsContact O-CB 3.26Å; R364-S368 WeakPolarHBondContact O-CB 3.28Å; R364-S368 PolarHBondContact O-N 3.29Å; R364-S368 PolarHBondContact O-OG 3.43Å; L365-S368 PolarHBondContact O-N 2.91Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 3.12Å; S368-H370 VanDerWaalsContact C-N 3.3Å; S368-H370 PolarHBondContact O-N 2.68Å; S368-L371 WeakPolarHBondContact O-CB 3.49Å; S368-L371 PolarHBondContact O-N 2.92Å; S368-L371 VanDerWaalsContact O-N 3.16Å; S368-V372 WeakPolarHBondContact O-CG2 3.41Å; S368-V372 PolarHBondContact O-N 3.26Å
369	L	83.7	Confident	78.9	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-37.6	177.6	-71.8	-178.1	0	0	0	111.6	V322 L365 L371 V372 D373 F379	V322-L369 HydrophobicContact CG1-CD1 4.35Å; V322-L369 HydrophobicContact CG1-CD2 4.27Å; V322-L369 HydrophobicContact CG2-CD2 3.89Å; L365-L369 HydrophobicContact CD1-CD1 3.7Å; L365-L369 HydrophobicContact CD1-CD2 4.36Å; L365-L369 HydrophobicContact CD1-CG 3.78Å; L365-L369 HydrophobicContact CD2-CD1 4.41Å; L365-L369 HydrophobicContact CG-CD1 3.79Å; L365-L369 HydrophobicContact CG-CG 4.16Å; L365-L369 WeakPolarHBondContact O-CB 3.27Å; L365-L369 WeakPolarHBondContact O-CG 3.34Å; L365-L369 PolarHBondContact O-N 3.41Å; L369-L371 VanDerWaalsContact C-N 3.26Å; L369-L371 PolarHBondContact O-N 3.1Å; L369-V372 PolarHBondContact O-N 3.39Å; L369-V372 VanDerWaalsContact O-N 3.13Å; L369-D373 PolarHBondContact O-N 3.35Å; L369-F379 HydrophobicContact CD1-CB 4.46Å; L369-F379 HydrophobicContact CD1-CD2 4.45Å
370	H	77.5	Confident	79.1	Confident	16 Å²	16	29.9 Å²	29.9	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-33.3	175.9	-171	68.6	0	0	0	112.9	L366 S368 D376 W425 K476	L366-H370 VanDerWaalsContact O-CB 3.29Å; L366-H370 WeakPolarHBondContact O-CB 3.33Å; L366-H370 PolarHBondContact O-N 2.8Å; S368-H370 VanDerWaalsContact C-N 3.3Å; S368-H370 PolarHBondContact O-N 2.68Å; H370-D376 IonicContact CE1-OD1 3.48Å; H370-D376 IonicContact CE1-OD2 3.55Å; H370-D376 PolarHBondContact CE1-OD2 3.29Å; H370-D376 IonicContact CG-OD1 2.69Å; H370-D376 IonicContact ND1-OD1 3.09Å; H370-D376 PolarHBondContact ND1-OD1 3Å; H370-D376 IonicContact ND1-OD2 3.67Å; H370-D376 PolarHBondContact ND1-OD2 3.16Å; H370-W425 AromaticContact CD2-CZ3 3.8Å; H370-K476 WeakPolarHBondContact CE1-CE 3.48Å; H370-K476 WeakPolarHBondContact NE2-CE 3.46Å; H370-K476 PolarHBondContact NE2-NZ 3.19Å
371	L	75.9	Confident	79.3	Confident	21 Å²	21	31.6 Å²	31.6	11%	0.11	15%	0.146	C	C	.	.	H	α-helix	trans	-72	-37.6	173.3	-68.8	172.5	0	0	0	112	F295 L302 L303 S306 K367 S368 L369 F434	F295-L371 HydrophobicContact CE2-CD1 3.82Å; L302-L371 HydrophobicContact CD1-CD1 4.5Å; L303-L371 HydrophobicContact CD2-CD2 4.37Å; S306-L371 VanDerWaalsContact CB-O 3.31Å; S306-L371 WeakPolarHBondContact CB-O 3.31Å; K367-L371 WeakPolarHBondContact O-CG 3.44Å; K367-L371 PolarHBondContact O-N 2.82Å; S368-L371 WeakPolarHBondContact O-CB 3.49Å; S368-L371 PolarHBondContact O-N 2.92Å; S368-L371 VanDerWaalsContact O-N 3.16Å; L369-L371 VanDerWaalsContact C-N 3.26Å; L369-L371 PolarHBondContact O-N 3.1Å; L371-F434 HydrophobicContact CD2-CZ 4.34Å
372	V	81.8	Confident	79.4	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-81.6	-46.8	-174.3	179.4	0	0	0	0	112.8	L302 L305 V309 L318 S368 L369 P374	L302-V372 HydrophobicContact CB-CG2 4.15Å; L302-V372 HydrophobicContact CD2-CG2 3.82Å; L305-V372 HydrophobicContact CB-CG2 4.5Å; L305-V372 HydrophobicContact CD2-CG1 3.92Å; L305-V372 HydrophobicContact CD2-CG2 4.01Å; L305-V372 HydrophobicContact CG-CG1 3.87Å; L305-V372 HydrophobicContact CG-CG2 4.36Å; V309-V372 HydrophobicContact CG2-CG1 4.41Å; L318-V372 HydrophobicContact CD1-CG1 4.22Å; L318-V372 HydrophobicContact CD2-CG1 3.49Å; L318-V372 VanDerWaalsContact CD2-CG1 3.49Å; S368-V372 WeakPolarHBondContact O-CG2 3.41Å; S368-V372 PolarHBondContact O-N 3.26Å; L369-V372 PolarHBondContact O-N 3.39Å; L369-V372 VanDerWaalsContact O-N 3.13Å; V372-P374 WeakPolarHBondContact O-CD 3.43Å
373	D	77.3	Confident	79.5	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.048	15%	0.146	C	C	.	.			trans	-118.2	92.2	174	-178.2	15.4	0	0	0	110.6	R315 L369 S375 D376 L378	R315-D373 IonicContact CZ-OD2 2.69Å; R315-D373 IonicContact NE-OD1 3.45Å; R315-D373 IonicContact NE-OD2 3.83Å; R315-D373 IonicContact NH2-OD1 3.58Å; R315-D373 IonicContact NH2-OD2 3.1Å; R315-D373 PolarHBondContact NH2-OD2 2.91Å; L369-D373 PolarHBondContact O-N 3.35Å; D373-S375 PolarHBondContact O-N 3.43Å; D373-S375 WeakPolarHBondContact OD1-CB 3.5Å; D373-S375 PolarHBondContact OD1-N 3.36Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; D373-D376 PolarHBondContact O-N 2.98Å; D373-D376 VanDerWaalsContact O-N 3.11Å; D373-L378 HydrophobicContact CB-CD1 3.88Å; D373-L378 HydrophobicContact CB-CG 4.49Å
374	P	69.4	Low	79.9	Confident	14 Å²	14	34.1 Å²	34.1	9%	0.091	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8	176.5	-23	33.6	0	0	0	114.8	V372 D376 L467	V372-P374 WeakPolarHBondContact O-CD 3.43Å; P374-D376 VanDerWaalsContact C-N 3.3Å; P374-L467 HydrophobicContact CB-CD2 4Å; P374-L467 HydrophobicContact CG-CD2 4.32Å
375	S	70.3	Confident	80.1	Confident	40 Å²	40	34.7 Å²	34.7	28%	0.28	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.7	177.8	-33.6	0	0	0	0	112.9	D373 R377 R474	D373-S375 PolarHBondContact O-N 3.43Å; D373-S375 WeakPolarHBondContact OD1-CB 3.5Å; D373-S375 PolarHBondContact OD1-N 3.36Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; S375-R377 PolarHBondContact O-N 3.4Å; S375-R474 PolarHBondContact O-NH1 3.49Å; S375-R474 PolarHBondContact O-NH2 2.88Å
376	D	71.8	Confident	80.1	Confident	21 Å²	21	34.8 Å²	34.8	11%	0.112	17%	0.172	C	C	.	.			trans	53.4	3.4	-177.9	-67.1	-44.2	0	0	0	116.4	H370 D373 P374 L378 F379 E380	H370-D376 IonicContact CE1-OD1 3.48Å; H370-D376 IonicContact CE1-OD2 3.55Å; H370-D376 PolarHBondContact CE1-OD2 3.29Å; H370-D376 IonicContact CG-OD1 2.69Å; H370-D376 IonicContact ND1-OD1 3.09Å; H370-D376 PolarHBondContact ND1-OD1 3Å; H370-D376 IonicContact ND1-OD2 3.67Å; H370-D376 PolarHBondContact ND1-OD2 3.16Å; D373-D376 PolarHBondContact O-N 2.98Å; D373-D376 VanDerWaalsContact O-N 3.11Å; P374-D376 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 2.8Å; D376-F379 WeakPolarHBondContact O-CB 3.41Å; D376-F379 PolarHBondContact O-N 3.18Å; D376-F379 VanDerWaalsContact O-N 3.11Å; D376-E380 PolarHBondContact O-N 2.95Å
377	R	78.7	Confident	80.4	Confident	158 Å²	158	35 Å²	35	60%	0.596	17%	0.173	S	C	*	.	H	α-helix	trans	-62.5	-42.4	-179.4	-63	-168.3	-177.4	168.2	-1.8	111.8	S375 F379 E380 E381	S375-R377 PolarHBondContact O-N 3.4Å; R377-F379 VanDerWaalsContact C-N 3.25Å; R377-F379 PolarHBondContact O-N 3.17Å; R377-E380 PolarHBondContact O-N 2.8Å; R377-E381 PolarHBondContact O-N 2.99Å
378	L	80.8	Confident	80.8	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-37.4	176	-74.3	175.7	0	0	0	111.9	L318 S319 D373 D376 V382	L318-L378 HydrophobicContact CD2-CD1 3.5Å; L318-L378 HydrophobicContact CG-CD1 3.94Å; S319-L378 VanDerWaalsContact CB-CD2 3.47Å; S319-L378 WeakPolarHBondContact OG-CD2 3.38Å; D373-L378 HydrophobicContact CB-CD1 3.88Å; D373-L378 HydrophobicContact CB-CG 4.49Å; D376-L378 PolarHBondContact O-N 2.8Å; L378-V382 VanDerWaalsContact O-CB 3.23Å; L378-V382 WeakPolarHBondContact O-CB 3.4Å; L378-V382 WeakPolarHBondContact O-CG2 3.49Å; L378-V382 PolarHBondContact O-N 2.94Å
379	F	81.8	Confident	80.7	Confident	20 Å²	20	36.8 Å²	36.8	9%	0.088	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-41.7	176.6	174.7	-99.4	0	0	0	111.4	Y362 L366 L369 D376 R377 E381 V382 S383 I482	Y362-F379 HydrophobicContact CE2-CE2 4.15Å; Y362-F379 HydrophobicContact CE2-CZ 4.45Å; Y362-F379 WeakPolarHBondContact OH-CZ 3.49Å; L366-F379 HydrophobicContact CB-CD2 4.42Å; L366-F379 HydrophobicContact CB-CE2 3.89Å; L366-F379 HydrophobicContact CD1-CD1 4.09Å; L366-F379 HydrophobicContact CD1-CD2 3.74Å; L366-F379 HydrophobicContact CD1-CE1 3.67Å; L366-F379 HydrophobicContact CD1-CE2 3.28Å; L366-F379 HydrophobicContact CD1-CG 4.12Å; L366-F379 HydrophobicContact CD1-CZ 3.25Å; L366-F379 HydrophobicContact CG-CE2 4.21Å; L366-F379 HydrophobicContact CG-CZ 4.44Å; L369-F379 HydrophobicContact CD1-CB 4.46Å; L369-F379 HydrophobicContact CD1-CD2 4.45Å; D376-F379 WeakPolarHBondContact O-CB 3.41Å; D376-F379 PolarHBondContact O-N 3.18Å; D376-F379 VanDerWaalsContact O-N 3.11Å; R377-F379 VanDerWaalsContact C-N 3.25Å; R377-F379 PolarHBondContact O-N 3.17Å; F379-E381 VanDerWaalsContact C-N 3.3Å; F379-E381 PolarHBondContact O-N 3.31Å; F379-V382 PolarHBondContact O-N 3.19Å; F379-S383 WeakPolarHBondContact CZ-OG 3.45Å; F379-S383 WeakPolarHBondContact O-CA 3.41Å; F379-S383 WeakPolarHBondContact O-CB 3.27Å; F379-S383 PolarHBondContact O-N 3.33Å; F379-I482 HydrophobicContact CZ-CG2 4.25Å
380	E	81.5	Confident	80.8	Confident	111 Å²	111	36.7 Å²	36.7	52%	0.519	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-35	177.2	-73.8	170.7	-166.6	0	0	112.7	D376 R377 P384 R474	D376-E380 PolarHBondContact O-N 2.95Å; R377-E380 PolarHBondContact O-N 2.8Å; E380-P384 WeakPolarHBondContact O-CD 3.2Å; E380-P384 WeakPolarHBondContact O-CG 3.37Å; E380-R474 IonicContact OE1-NH1 3.37Å; E380-R474 PolarHBondContact OE1-NH1 3.14Å
381	E	84.1	Confident	81.1	Confident	104 Å²	104	40.6 Å²	40.6	49%	0.486	20%	0.202	S	C	.	.	H	α-helix	trans	-70.8	-39.4	175.7	-172.3	177	178.7	0	0	112.3	R377 F379	R377-E381 PolarHBondContact O-N 2.99Å; F379-E381 VanDerWaalsContact C-N 3.3Å; F379-E381 PolarHBondContact O-N 3.31Å
382	V	85.8	Confident	81.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-87.1	-37.5	-172.1	160.1	0	0	0	0	113.5	V322 L323 I326 L365 L378 F379 P384 L385 L386	V322-V382 HydrophobicContact CG1-CG2 3.73Å; L323-V382 HydrophobicContact CD2-CG2 3.97Å; I326-V382 HydrophobicContact CD1-CB 4.13Å; I326-V382 HydrophobicContact CD1-CG1 3Å; I326-V382 HydrophobicContact CD1-CG2 4.03Å; I326-V382 HydrophobicContact CG1-CG1 4.41Å; L365-V382 HydrophobicContact CD2-CG1 4Å; L378-V382 VanDerWaalsContact O-CB 3.23Å; L378-V382 WeakPolarHBondContact O-CB 3.4Å; L378-V382 WeakPolarHBondContact O-CG2 3.49Å; L378-V382 PolarHBondContact O-N 2.94Å; F379-V382 PolarHBondContact O-N 3.19Å; V382-P384 VanDerWaalsContact C-CD 3.46Å; V382-L385 WeakPolarHBondContact O-CB 3.45Å; V382-L385 PolarHBondContact O-N 2.78Å; V382-L385 VanDerWaalsContact O-N 3.1Å; V382-L386 HydrophobicContact CG1-CD1 4.21Å; V382-L386 PolarHBondContact O-N 3.04Å
383	S	84.3	Confident	81.4	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-55.2	-43.7	-174.1	178.6	0	0	0	0	112.8	Y362 F379 L385 L386 K387	Y362-S383 PolarHBondContact OH-OG 3.38Å; F379-S383 WeakPolarHBondContact CZ-OG 3.45Å; F379-S383 WeakPolarHBondContact O-CA 3.41Å; F379-S383 WeakPolarHBondContact O-CB 3.27Å; F379-S383 PolarHBondContact O-N 3.33Å; S383-L385 VanDerWaalsContact C-N 3.29Å; S383-L385 PolarHBondContact O-N 2.84Å; S383-L386 PolarHBondContact O-N 3.1Å; S383-K387 WeakPolarHBondContact O-CB 3.47Å; S383-K387 WeakPolarHBondContact O-CG 3.38Å; S383-K387 PolarHBondContact O-N 3.46Å; S383-K387 WeakPolarHBondContact OG-CE 3.5Å; S383-K387 PolarHBondContact OG-NZ 3.4Å
384	P	85.4	Confident	81.4	Confident	71 Å²	71	61.2 Å²	61.2	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-38	177	-25.6	35.3	0	0	0	113.4	E380 V382 K387 A388	E380-P384 WeakPolarHBondContact O-CD 3.2Å; E380-P384 WeakPolarHBondContact O-CG 3.37Å; V382-P384 VanDerWaalsContact C-CD 3.46Å; P384-K387 PolarHBondContact O-N 2.79Å; P384-A388 VanDerWaalsContact O-CB 3.27Å; P384-A388 WeakPolarHBondContact O-CB 3.46Å; P384-A388 PolarHBondContact O-N 3.29Å
385	L	86.1	Confident	81.9	Confident	85 Å²	85	63.4 Å²	63.4	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-46.8	-178.6	-59.1	176.7	0	0	0	111.4	L323 I330 V382 S383 H389	L323-L385 HydrophobicContact CD2-CD1 4.28Å; I330-L385 HydrophobicContact CD1-CB 4.23Å; V382-L385 WeakPolarHBondContact O-CB 3.45Å; V382-L385 PolarHBondContact O-N 2.78Å; V382-L385 VanDerWaalsContact O-N 3.1Å; S383-L385 VanDerWaalsContact C-N 3.29Å; S383-L385 PolarHBondContact O-N 2.84Å; L385-H389 PolarHBondContact O-N 3.12Å; L385-H389 VanDerWaalsContact O-N 3.08Å
386	L	85.2	Confident	82.6	Confident	2 Å²	2	62 Å²	62	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-39.3	178.2	-77.2	166.3	0	0	0	112.1	I326 F329 I330 Y362 L365 V382 S383 A388 H389 L390	I326-L386 HydrophobicContact CD1-CD1 4.1Å; I326-L386 HydrophobicContact CG1-CD1 4.5Å; I326-L386 HydrophobicContact CG2-CD1 4.21Å; I326-L386 HydrophobicContact CG2-CD2 4.11Å; I326-L386 HydrophobicContact CG2-CG 3.88Å; F329-L386 HydrophobicContact CD1-CD2 3.9Å; F329-L386 HydrophobicContact CE1-CD2 4.12Å; I330-L386 HydrophobicContact CD1-CD2 4.45Å; I330-L386 HydrophobicContact CG1-CD2 4.26Å; Y362-L386 HydrophobicContact CD2-CB 3.96Å; Y362-L386 HydrophobicContact CD2-CD1 3.99Å; Y362-L386 HydrophobicContact CE2-CB 4.33Å; L365-L386 HydrophobicContact CD2-CD1 3.2Å; V382-L386 HydrophobicContact CG1-CD1 4.21Å; V382-L386 PolarHBondContact O-N 3.04Å; S383-L386 PolarHBondContact O-N 3.1Å; L386-A388 PolarHBondContact O-N 2.88Å; L386-H389 PolarHBondContact O-N 2.97Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 3.21Å
387	K	86.3	Confident	83	Confident	17 Å²	17	65.6 Å²	65.6	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.8	-76	175	177.7	154	0	111.4	Y362 S383 P384 H389 L390 R391 D485 I486	Y362-K387 WeakPolarHBondContact OH-CE 3.43Å; S383-K387 WeakPolarHBondContact O-CB 3.47Å; S383-K387 WeakPolarHBondContact O-CG 3.38Å; S383-K387 PolarHBondContact O-N 3.46Å; S383-K387 WeakPolarHBondContact OG-CE 3.5Å; S383-K387 PolarHBondContact OG-NZ 3.4Å; P384-K387 PolarHBondContact O-N 2.79Å; K387-H389 VanDerWaalsContact C-N 3.32Å; K387-H389 PolarHBondContact O-N 3.22Å; K387-L390 PolarHBondContact O-N 3.08Å; K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 VanDerWaalsContact O-CG 3.27Å; K387-R391 WeakPolarHBondContact O-CG 3.27Å; K387-R391 PolarHBondContact O-N 3.37Å; K387-D485 WeakPolarHBondContact CE-OD2 3.23Å; K387-D485 IonicContact NZ-OD2 3.07Å; K387-D485 PolarHBondContact NZ-OD2 3.01Å; K387-I486 HydrophobicContact CG-CG1 4.24Å
388	A	84.5	Confident	82.9	Confident	41 Å²	41	64.4 Å²	64.4	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-40.2	177.1	0	0	0	0	0	111.9	P384 L386 R392	P384-A388 VanDerWaalsContact O-CB 3.27Å; P384-A388 WeakPolarHBondContact O-CB 3.46Å; P384-A388 PolarHBondContact O-N 3.29Å; L386-A388 PolarHBondContact O-N 2.88Å; A388-R392 WeakPolarHBondContact O-CG 3.5Å; A388-R392 PolarHBondContact O-N 3.36Å
389	H	83.1	Confident	82.7	Confident	22 Å²	22	68.8 Å²	68.8	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-47.2	174.5	178.2	77.5	0	0	0	112.2	I330 S333 L385 L386 K387 R392	I330-H389 HydrophobicContact CD1-CB 4.42Å; I330-H389 HydrophobicContact CG1-CB 4.2Å; S333-H389 PolarHBondContact OG-NE2 2.92Å; L385-H389 PolarHBondContact O-N 3.12Å; L385-H389 VanDerWaalsContact O-N 3.08Å; L386-H389 PolarHBondContact O-N 2.97Å; K387-H389 VanDerWaalsContact C-N 3.32Å; K387-H389 PolarHBondContact O-N 3.22Å; H389-R392 PolarHBondContact O-N 3.43Å
390	L	84.2	Confident	82.5	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-42.1	179.5	-71.9	167.3	0	0	0	112.2	A358 L359 Y362 L386 K387 R392 R393 M396 I486	A358-L390 HydrophobicContact CB-CD2 3.72Å; L359-L390 HydrophobicContact CD2-CD1 3.9Å; L359-L390 HydrophobicContact CD2-CD2 4.12Å; L359-L390 HydrophobicContact CG-CD2 4.23Å; Y362-L390 HydrophobicContact CG-CD1 4.42Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 3.21Å; K387-L390 PolarHBondContact O-N 3.08Å; L390-R392 PolarHBondContact O-N 3.12Å; L390-R393 PolarHBondContact O-N 3.29Å; L390-R393 VanDerWaalsContact O-N 3.12Å; L390-M396 HydrophobicContact CB-CG 4.49Å; L390-M396 WeakPolarHBondContact O-CB 3.34Å; L390-M396 WeakPolarHBondContact O-CG 3.42Å; L390-I486 HydrophobicContact CB-CG2 4.15Å; L390-I486 HydrophobicContact CD1-CD1 4.27Å; L390-I486 HydrophobicContact CD1-CG2 4.49Å
391	R	85.1	Confident	82.3	Confident	98 Å²	98	62.7 Å²	62.7	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-27.2	177.7	-74.7	175.6	-164.6	135.4	5.3	113.8	K387 R393 D485 I486	K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 VanDerWaalsContact O-CG 3.27Å; K387-R391 WeakPolarHBondContact O-CG 3.27Å; K387-R391 PolarHBondContact O-N 3.37Å; R391-R393 PolarHBondContact O-N 3.44Å; R391-D485 PolarHBondContact NH2-O 3.27Å; R391-I486 WeakPolarHBondContact CD-O 3.47Å; R391-I486 WeakPolarHBondContact CG-O 3.49Å; R391-I486 PolarHBondContact NE-O 3.42Å
392	R	82.9	Confident	81.7	Confident	216 Å²	216	59.5 Å²	59.5	82%	0.815	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.7	178.8	-73.9	176	-179.8	-179.8	1.4	113.2	A388 H389 L390	A388-R392 WeakPolarHBondContact O-CG 3.5Å; A388-R392 PolarHBondContact O-N 3.36Å; H389-R392 PolarHBondContact O-N 3.43Å; L390-R392 PolarHBondContact O-N 3.12Å
393	R	81.4	Confident	81.1	Confident	53 Å²	53	61.2 Å²	61.2	20%	0.2	28%	0.284	C	S	.	.			trans	-86	125.5	-177.6	-58.5	-173.1	72.5	152.4	0.7	110.4	V353 T355 L390 R391 D395 M396	V353-R393 VanDerWaalsContact O-CZ 3.25Å; V353-R393 PolarHBondContact O-NH1 2.89Å; V353-R393 PolarHBondContact O-NH2 2.99Å; T355-R393 HydrophobicContact CG2-CB 4.45Å; T355-R393 PolarHBondContact OG1-NE 3.3Å; T355-R393 PolarHBondContact OG1-NH2 3.27Å; T355-R393 VanDerWaalsContact OG1-NH2 3.14Å; L390-R393 PolarHBondContact O-N 3.29Å; L390-R393 VanDerWaalsContact O-N 3.12Å; R391-R393 PolarHBondContact O-N 3.44Å; R393-D395 WeakPolarHBondContact CB-OD1 3.44Å; R393-D395 IonicContact NE-OD1 3.17Å; R393-D395 PolarHBondContact O-N 3.19Å; R393-M396 HydrophobicContact CB-CB 4.39Å; R393-M396 VanDerWaalsContact O-CB 3.25Å; R393-M396 WeakPolarHBondContact O-CB 3.25Å; R393-M396 PolarHBondContact O-N 3.23Å
394	Q	77	Confident	80.5	Confident	200 Å²	200	61.1 Å²	61.1	94%	0.935	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26	-176	-66.7	-176.7	-7.8	0	0	113.3
395	D	80.4	Confident	79.5	Confident	59 Å²	59	57.8 Å²	57.8	32%	0.316	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.4	-178.9	61.7	-36.3	0	0	0	113.5	T355 R393 E397 K398 Y399	T355-D395 WeakPolarHBondContact CB-OD2 3.29Å; T355-D395 PolarHBondContact OG1-OD1 3.05Å; T355-D395 PolarHBondContact OG1-OD2 3.26Å; R393-D395 WeakPolarHBondContact CB-OD1 3.44Å; R393-D395 IonicContact NE-OD1 3.17Å; R393-D395 PolarHBondContact O-N 3.19Å; D395-E397 VanDerWaalsContact C-N 3.32Å; D395-E397 PolarHBondContact O-N 2.88Å; D395-K398 PolarHBondContact O-N 3.36Å; D395-Y399 HydrophobicContact CB-CD2 4.04Å; D395-Y399 HydrophobicContact CB-CE2 4.2Å; D395-Y399 WeakPolarHBondContact O-CD2 3.47Å; D395-Y399 PolarHBondContact O-N 3.03Å; D395-Y399 VanDerWaalsContact O-N 3.1Å; D395-Y399 WeakPolarHBondContact OD2-CD2 3.38Å; D395-Y399 WeakPolarHBondContact OD2-CE2 3.01Å
396	M	83.5	Confident	78.2	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-56.3	-44.5	-178.7	-177.4	-82.1	-70.2	0	0	112.3	T355 L390 R393 K398 Y399 L400 I486 F487	T355-M396 HydrophobicContact CG2-CB 4.33Å; L390-M396 HydrophobicContact CB-CG 4.49Å; L390-M396 WeakPolarHBondContact O-CB 3.34Å; L390-M396 WeakPolarHBondContact O-CG 3.42Å; R393-M396 HydrophobicContact CB-CB 4.39Å; R393-M396 VanDerWaalsContact O-CB 3.25Å; R393-M396 WeakPolarHBondContact O-CB 3.25Å; R393-M396 PolarHBondContact O-N 3.23Å; M396-K398 PolarHBondContact O-N 3.27Å; M396-Y399 PolarHBondContact O-N 3.31Å; M396-L400 WeakPolarHBondContact O-CB 3.33Å; M396-L400 PolarHBondContact O-N 3.1Å; M396-L400 HydrophobicContact SD-CB 4.3Å; M396-I486 HydrophobicContact SD-CG2 4.26Å; M396-F487 HydrophobicContact CE-CD2 4.09Å; M396-F487 HydrophobicContact CE-CE1 4.29Å; M396-F487 HydrophobicContact CE-CE2 3.74Å; M396-F487 HydrophobicContact CE-CG 4.49Å; M396-F487 HydrophobicContact CE-CZ 3.91Å; M396-F487 HydrophobicContact SD-CD2 4.2Å; M396-F487 HydrophobicContact SD-CE2 3.53Å; M396-F487 VanDerWaalsContact SD-CE2 3.53Å; M396-F487 HydrophobicContact SD-CZ 3.98Å
397	E	80.7	Confident	76.6	Confident	98 Å²	98	59.8 Å²	59.8	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-47.6	-177.9	-53.3	-167.4	159.4	0	0	111.3	D395 Y399 L400 M401 F487	D395-E397 VanDerWaalsContact C-N 3.32Å; D395-E397 PolarHBondContact O-N 2.88Å; E397-Y399 PolarHBondContact O-N 3.48Å; E397-L400 PolarHBondContact O-N 3.5Å; E397-M401 WeakPolarHBondContact O-CB 3.32Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 2.83Å; E397-F487 HydrophobicContact CB-CE1 4.5Å; E397-F487 HydrophobicContact CB-CZ 3.98Å; E397-F487 HydrophobicContact CG-CE1 3.81Å; E397-F487 HydrophobicContact CG-CZ 3.67Å
398	K	76.5	Confident	74.6	Confident	133 Å²	133	67.1 Å²	67.1	58%	0.578	30%	0.297	S	S	*	.	H	α-helix	trans	-58.8	-52.9	179.4	-178.4	178.3	177.3	176.7	0	110.5	D395 M396 L400 M401 D402	D395-K398 PolarHBondContact O-N 3.36Å; M396-K398 PolarHBondContact O-N 3.27Å; K398-L400 PolarHBondContact O-N 2.91Å; K398-M401 PolarHBondContact O-N 3.44Å; K398-D402 WeakPolarHBondContact O-CB 3.48Å; K398-D402 VanDerWaalsContact O-CG 3.3Å; K398-D402 PolarHBondContact O-N 3.31Å
399	Y	76.6	Confident	72.9	Confident	99 Å²	99	66.4 Å²	66.4	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-35.8	-178.9	-84.3	-74.7	0	0	0	113.4	T355 D395 M396 E397 L403	T355-Y399 HydrophobicContact CG2-CD2 4.3Å; D395-Y399 HydrophobicContact CB-CD2 4.04Å; D395-Y399 HydrophobicContact CB-CE2 4.2Å; D395-Y399 WeakPolarHBondContact O-CD2 3.47Å; D395-Y399 PolarHBondContact O-N 3.03Å; D395-Y399 VanDerWaalsContact O-N 3.1Å; D395-Y399 WeakPolarHBondContact OD2-CD2 3.38Å; D395-Y399 WeakPolarHBondContact OD2-CE2 3.01Å; M396-Y399 PolarHBondContact O-N 3.31Å; E397-Y399 PolarHBondContact O-N 3.48Å; Y399-L403 WeakPolarHBondContact O-CB 3.45Å; Y399-L403 PolarHBondContact O-N 2.94Å
400	L	79	Confident	70.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-41.4	175.9	-172.8	71.5	0	0	0	110.9	L359 M396 E397 K398 L403 L404 L483 F487 F493	L359-L400 HydrophobicContact CD1-CB 4.24Å; L359-L400 HydrophobicContact CD1-CD1 4.22Å; L359-L400 HydrophobicContact CD2-CD1 4.03Å; M396-L400 WeakPolarHBondContact O-CB 3.33Å; M396-L400 PolarHBondContact O-N 3.1Å; M396-L400 HydrophobicContact SD-CB 4.3Å; E397-L400 PolarHBondContact O-N 3.5Å; K398-L400 PolarHBondContact O-N 2.91Å; L400-L403 HydrophobicContact CD1-CD2 4.5Å; L400-L403 WeakPolarHBondContact O-CB 3.44Å; L400-L403 PolarHBondContact O-N 3.34Å; L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.11Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.06Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 2.98Å; L400-L483 HydrophobicContact CD1-CB 4.2Å; L400-L483 HydrophobicContact CD1-CD1 4.43Å; L400-L483 HydrophobicContact CD1-CD2 3.71Å; L400-L483 HydrophobicContact CD1-CG 4.31Å; L400-F487 HydrophobicContact CB-CE2 4.47Å; L400-F487 HydrophobicContact CD2-CD2 3.78Å; L400-F487 HydrophobicContact CD2-CE2 3.35Å; L400-F487 HydrophobicContact CD2-CZ 4.49Å; L400-F487 HydrophobicContact CG-CE2 4.48Å; L400-F493 HydrophobicContact CD2-CD2 4.33Å; L400-F493 HydrophobicContact CD2-CE2 3.98Å
401	M	77	Confident	68.4	Low	2 Å²	2	73.4 Å²	73.4	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-41	178.9	-63.4	-53.6	163.7	0	0	111.7	E397 K398 L403 L404 V405 F487 F493 A496 F497 S500	E397-M401 WeakPolarHBondContact O-CB 3.32Å; E397-M401 WeakPolarHBondContact O-CG 3.4Å; E397-M401 PolarHBondContact O-N 2.83Å; K398-M401 PolarHBondContact O-N 3.44Å; M401-L403 VanDerWaalsContact C-N 3.3Å; M401-L403 PolarHBondContact O-N 3.48Å; M401-L404 PolarHBondContact O-N 3.44Å; M401-L404 HydrophobicContact SD-CD1 3.95Å; M401-V405 WeakPolarHBondContact O-CG2 3.5Å; M401-V405 PolarHBondContact O-N 3.15Å; M401-V405 VanDerWaalsContact O-N 3.07Å; M401-F487 HydrophobicContact CE-CE2 4.25Å; M401-F487 HydrophobicContact CE-CZ 3.94Å; M401-F493 HydrophobicContact CE-CD2 3.7Å; M401-F493 HydrophobicContact CE-CE2 3.62Å; M401-F493 HydrophobicContact CE-CG 4.42Å; M401-F493 HydrophobicContact CE-CZ 4.28Å; M401-F493 HydrophobicContact SD-CE2 4.3Å; M401-A496 HydrophobicContact CE-CB 3.74Å; M401-F497 HydrophobicContact CE-CB 3.82Å; M401-F497 WeakPolarHBondContact SD-CA 3.28Å; M401-F497 HydrophobicContact SD-CB 3.66Å; M401-F497 HydrophobicContact SD-CD2 3.68Å; M401-F497 HydrophobicContact SD-CG 4.17Å; M401-S500 VanDerWaalsContact CB-OG 3.3Å; M401-S500 WeakPolarHBondContact CB-OG 3.33Å
402	D	71.8	Confident	66.1	Low	38 Å²	38	70.3 Å²	70.3	20%	0.203	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-44.6	170.7	-71.4	-22.5	0	0	0	109.6	K398 L404 V405 E406	K398-D402 WeakPolarHBondContact O-CB 3.48Å; K398-D402 VanDerWaalsContact O-CG 3.3Å; K398-D402 PolarHBondContact O-N 3.31Å; D402-L404 PolarHBondContact O-N 2.89Å; D402-V405 PolarHBondContact O-N 2.6Å; D402-E406 VanDerWaalsContact O-CA 3.27Å; D402-E406 WeakPolarHBondContact O-CA 3.41Å; D402-E406 WeakPolarHBondContact O-CB 3.17Å; D402-E406 VanDerWaalsContact O-CG 3.29Å; D402-E406 WeakPolarHBondContact O-CG 3.19Å; D402-E406 PolarHBondContact O-N 3.22Å
403	L	72.6	Confident	63.8	Low	36 Å²	36	61 Å²	61	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-47.9	174.7	-176.5	64.9	0	0	0	111.6	L359 I363 Y399 L400 M401 V405 L407	L359-L403 HydrophobicContact CB-CD2 4.06Å; L359-L403 HydrophobicContact CD1-CD2 4.45Å; I363-L403 HydrophobicContact CD1-CD2 3.91Å; Y399-L403 WeakPolarHBondContact O-CB 3.45Å; Y399-L403 PolarHBondContact O-N 2.94Å; L400-L403 HydrophobicContact CD1-CD2 4.5Å; L400-L403 WeakPolarHBondContact O-CB 3.44Å; L400-L403 PolarHBondContact O-N 3.34Å; M401-L403 VanDerWaalsContact C-N 3.3Å; M401-L403 PolarHBondContact O-N 3.48Å; L403-V405 PolarHBondContact O-N 2.99Å; L403-L407 HydrophobicContact CD1-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.34Å; L403-L407 VanDerWaalsContact O-CD1 3.25Å; L403-L407 WeakPolarHBondContact O-CD1 3.21Å; L403-L407 WeakPolarHBondContact O-CG 3.44Å; L403-L407 PolarHBondContact O-N 3.1Å
404	L	71.5	Confident	61.7	Low	1 Å²	1	65.3 Å²	65.3	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-33.4	-178	-76	167.1	0	0	0	113.2	L400 M401 D402 F480 L483 F493 C519	L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.11Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.06Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 2.98Å; M401-L404 PolarHBondContact O-N 3.44Å; M401-L404 HydrophobicContact SD-CD1 3.95Å; D402-L404 PolarHBondContact O-N 2.89Å; L404-F480 HydrophobicContact CD2-CD1 3.71Å; L404-F480 HydrophobicContact CD2-CE1 3.7Å; L404-L483 HydrophobicContact CD2-CD1 3.94Å; L404-F493 HydrophobicContact CD1-CE2 3.59Å; L404-F493 HydrophobicContact CD1-CZ 3.55Å; L404-C519 PolarHBondContact O-SG 2.82Å
405	V	64.5	Low	59.7	Low	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-96.8	-42.5	-176.8	-173.6	0	0	0	0	112.6	M401 D402 L403 L407 F497 E516	M401-V405 WeakPolarHBondContact O-CG2 3.5Å; M401-V405 PolarHBondContact O-N 3.15Å; M401-V405 VanDerWaalsContact O-N 3.07Å; D402-V405 PolarHBondContact O-N 2.6Å; L403-V405 PolarHBondContact O-N 2.99Å; V405-L407 PolarHBondContact O-N 3.41Å; V405-F497 HydrophobicContact CG2-CE2 4.38Å; V405-E516 HydrophobicContact CG1-CG 3.66Å
406	E	59.3	Low	57.5	Low	116 Å²	116	55.9 Å²	55.9	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-82.2	8.5	174	-56.9	-164.3	158.5	0	0	113.9	D402 R408 R504	D402-E406 VanDerWaalsContact O-CA 3.27Å; D402-E406 WeakPolarHBondContact O-CA 3.41Å; D402-E406 WeakPolarHBondContact O-CB 3.17Å; D402-E406 VanDerWaalsContact O-CG 3.29Å; D402-E406 WeakPolarHBondContact O-CG 3.19Å; D402-E406 PolarHBondContact O-N 3.22Å; E406-R408 PolarHBondContact O-N 3.05Å; E406-R504 IonicContact OE1-CZ 3.83Å; E406-R504 IonicContact OE1-NH1 3.6Å; E406-R504 PolarHBondContact OE1-NH1 2.91Å; E406-R504 VanDerWaalsContact OE1-NH1 3.1Å; E406-R504 IonicContact OE1-NH2 3.95Å
407	L	51.8	Low	55	Low	14 Å²	14	58.7 Å²	58.7	7%	0.073	29%	0.291	C	S	.	.			trans	-58.2	80.3	149.9	-79.2	154.3	0	0	0	107.3	L403 V405 W409 M479	L403-L407 HydrophobicContact CD1-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.34Å; L403-L407 VanDerWaalsContact O-CD1 3.25Å; L403-L407 WeakPolarHBondContact O-CD1 3.21Å; L403-L407 WeakPolarHBondContact O-CG 3.44Å; L403-L407 PolarHBondContact O-N 3.1Å; V405-L407 PolarHBondContact O-N 3.41Å; L407-W409 HydrophobicContact CB-CG 4.22Å; L407-W409 VanDerWaalsContact CB-NE1 3.32Å; L407-W409 HydrophobicContact CD1-CZ2 4.26Å; L407-W409 HydrophobicContact CD2-CG 4.49Å; L407-W409 VanDerWaalsContact O-CD1 3.25Å; L407-W409 PolarHBondContact O-N 3.04Å; L407-M479 HydrophobicContact CD1-CE 4.33Å
408	R	42.5	Very low	52.7	Low	171 Å²	171	66.2 Å²	66.2	65%	0.645	32%	0.315	S	S	*	.				-49.4	85.1	119.2	-73.2	-165.7	-159.9	-104.3	2.4	104.8	E406 S410 D411	E406-R408 PolarHBondContact O-N 3.05Å; R408-S410 WeakPolarHBondContact CB-OG 3.45Å; R408-S410 PolarHBondContact O-N 2.95Å; R408-D411 PolarHBondContact O-N 2.92Å
409	W	49.2	Very low	50.5	Low	25 Å²	25	67.8 Å²	67.8	10%	0.095	32%	0.318	C	S	.	.	H	α-helix	trans	-43	-33	159.8	-76.2	71.8	0	0	0	106.4	L407 D411 A412 D413 T423 M479 F480 R522	L407-W409 HydrophobicContact CB-CG 4.22Å; L407-W409 VanDerWaalsContact CB-NE1 3.32Å; L407-W409 HydrophobicContact CD1-CZ2 4.26Å; L407-W409 HydrophobicContact CD2-CG 4.49Å; L407-W409 VanDerWaalsContact O-CD1 3.25Å; L407-W409 PolarHBondContact O-N 3.04Å; W409-D411 VanDerWaalsContact C-N 3.31Å; W409-D411 PolarHBondContact O-N 3.47Å; W409-A412 CarbonylContact O-C 3.58Å; W409-A412 VanDerWaalsContact O-CA 3.24Å; W409-A412 WeakPolarHBondContact O-CA 3.27Å; W409-A412 PolarHBondContact O-N 2.96Å; W409-D413 WeakPolarHBondContact CB-OD1 3.3Å; W409-D413 VanDerWaalsContact CB-OD2 3.26Å; W409-D413 WeakPolarHBondContact CB-OD2 3.28Å; W409-D413 VanDerWaalsContact O-CA 3.28Å; W409-D413 WeakPolarHBondContact O-CA 3.45Å; W409-D413 WeakPolarHBondContact O-CB 3.3Å; W409-D413 PolarHBondContact O-N 3.27Å; W409-T423 HydrophobicContact CH2-CG2 4.18Å; W409-T423 HydrophobicContact CZ3-CG2 3.86Å; W409-M479 HydrophobicContact CH2-CE 3.49Å; W409-M479 VanDerWaalsContact CH2-CE 3.49Å; W409-M479 HydrophobicContact CZ2-CE 3.54Å; W409-M479 HydrophobicContact CZ3-CE 4.31Å; W409-F480 AromaticContact CH2-CE2 3.81Å; W409-F480 HydrophobicContact CH2-CE2 3.81Å; W409-F480 HydrophobicContact CH2-CZ 4.29Å; W409-F480 AromaticContact CZ2-CE2 3.42Å; W409-F480 HydrophobicContact CZ2-CE2 3.42Å; W409-F480 VanDerWaalsContact CZ2-CE2 3.42Å; W409-F480 AromaticContact CZ2-CZ 3.44Å; W409-F480 HydrophobicContact CZ2-CZ 3.44Å; W409-F480 VanDerWaalsContact CZ2-CZ 3.44Å; W409-R522 VanDerWaalsContact CD1-CZ 3.45Å
410	S	38.4	Very low	48.4	Very low	53 Å²	53	72.3 Å²	72.3	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-34.6	-40.7	172.7	88.4	0	0	0	0	118.4	R408 D413 N414	R408-S410 WeakPolarHBondContact CB-OG 3.45Å; R408-S410 PolarHBondContact O-N 2.95Å; S410-D413 VanDerWaalsContact CA-CB 3.41Å; S410-D413 PolarHBondContact N-OD1 2.79Å; S410-D413 VanDerWaalsContact N-OD1 3.08Å; S410-D413 CarbonylContact O-C 3.56Å; S410-D413 WeakPolarHBondContact O-CB 3.4Å; S410-D413 PolarHBondContact O-N 3.5Å; S410-N414 PolarHBondContact O-N 3.38Å
411	D	34.3	Very low	46.3	Very low	119 Å²	119	76.1 Å²	76.1	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-92.9	-26.8	177.8	-71.8	-24.7	0	0	0	113.4	R408 W409 D413	R408-D411 PolarHBondContact O-N 2.92Å; W409-D411 VanDerWaalsContact C-N 3.31Å; W409-D411 PolarHBondContact O-N 3.47Å; D411-D413 PolarHBondContact O-N 2.84Å
412	A	37.9	Very low	44.2	Very low	32 Å²	32	78.8 Å²	78.8	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-78.3	3.4	157.7	0	0	0	0	0	112.4	W409 V415 L416	W409-A412 CarbonylContact O-C 3.58Å; W409-A412 VanDerWaalsContact O-CA 3.24Å; W409-A412 WeakPolarHBondContact O-CA 3.27Å; W409-A412 PolarHBondContact O-N 2.96Å; A412-V415 VanDerWaalsContact O-CB 3.27Å; A412-V415 WeakPolarHBondContact O-CB 3.46Å; A412-L416 WeakPolarHBondContact O-CB 3.41Å; A412-L416 WeakPolarHBondContact O-CD1 3.35Å; A412-L416 WeakPolarHBondContact O-CG 3.46Å; A412-L416 PolarHBondContact O-N 3.44Å
413	D	34.8	Very low	42.6	Very low	21 Å²	21	80.4 Å²	80.4	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-118.1	-16	-172.3	-79.3	177.8	0	0	0	111.1	W409 S410 D411 V415 L416 V417	W409-D413 WeakPolarHBondContact CB-OD1 3.3Å; W409-D413 VanDerWaalsContact CB-OD2 3.26Å; W409-D413 WeakPolarHBondContact CB-OD2 3.28Å; W409-D413 VanDerWaalsContact O-CA 3.28Å; W409-D413 WeakPolarHBondContact O-CA 3.45Å; W409-D413 WeakPolarHBondContact O-CB 3.3Å; W409-D413 PolarHBondContact O-N 3.27Å; S410-D413 VanDerWaalsContact CA-CB 3.41Å; S410-D413 PolarHBondContact N-OD1 2.79Å; S410-D413 VanDerWaalsContact N-OD1 3.08Å; S410-D413 CarbonylContact O-C 3.56Å; S410-D413 WeakPolarHBondContact O-CB 3.4Å; S410-D413 PolarHBondContact O-N 3.5Å; D411-D413 PolarHBondContact O-N 2.84Å; D413-V415 PolarHBondContact O-N 3Å; D413-V415 VanDerWaalsContact O-N 3.16Å; D413-L416 VanDerWaalsContact C-N 3.27Å; D413-L416 PolarHBondContact O-N 2.82Å; D413-V417 HydrophobicContact CB-CB 3.5Å; D413-V417 VanDerWaalsContact CB-CB 3.5Å; D413-V417 HydrophobicContact CB-CG2 3.86Å; D413-V417 CarbonylContact O-C 3.57Å; D413-V417 PolarHBondContact O-N 2.83Å; D413-V417 VanDerWaalsContact OD1-CB 3.26Å; D413-V417 WeakPolarHBondContact OD1-CB 3.4Å; D413-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D413-V417 WeakPolarHBondContact OD2-CG2 3.39Å
414	N	36	Very low	40.8	Very low	143 Å²	143	86.7 Å²	86.7	77%	0.765	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.3	150.3	-71.2	-33.2	0	0	0	110.6	S410	S410-N414 PolarHBondContact O-N 3.38Å
415	V	36.5	Very low	39.3	Very low	43 Å²	43	90.2 Å²	90.2	26%	0.261	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-25.1	167.8	-174.9	0	0	0	0	113.2	F295 P296 A412 D413	F295-V415 HydrophobicContact CD1-CG1 4.41Å; F295-V415 HydrophobicContact CE1-CG1 3.86Å; P296-V415 HydrophobicContact CB-CB 4.16Å; P296-V415 HydrophobicContact CB-CG1 3.28Å; P296-V415 HydrophobicContact CB-CG2 4.37Å; P296-V415 HydrophobicContact CG-CB 3.58Å; P296-V415 HydrophobicContact CG-CG1 3.28Å; P296-V415 HydrophobicContact CG-CG2 3.4Å; P296-V415 VanDerWaalsContact CG-CG2 3.4Å; A412-V415 VanDerWaalsContact O-CB 3.27Å; A412-V415 WeakPolarHBondContact O-CB 3.46Å; D413-V415 PolarHBondContact O-N 3Å; D413-V415 VanDerWaalsContact O-N 3.16Å
416	L	33.1	Very low	38	Very low	19 Å²	19	95 Å²	95	10%	0.099	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-11.1	-164.6	-57.3	174.3	0	0	0	118.9	A412 D413 R419 L422	A412-L416 WeakPolarHBondContact O-CB 3.41Å; A412-L416 WeakPolarHBondContact O-CD1 3.35Å; A412-L416 WeakPolarHBondContact O-CG 3.46Å; A412-L416 PolarHBondContact O-N 3.44Å; D413-L416 VanDerWaalsContact C-N 3.27Å; D413-L416 PolarHBondContact O-N 2.82Å; L416-R419 VanDerWaalsContact O-O 3.1Å; L416-L422 HydrophobicContact CB-CB 3.88Å; L416-L422 HydrophobicContact CB-CD1 4.31Å; L416-L422 HydrophobicContact CD2-CB 3.76Å; L416-L422 HydrophobicContact CD2-CD1 4.04Å; L416-L422 HydrophobicContact CD2-CD2 3.41Å; L416-L422 VanDerWaalsContact CD2-CD2 3.41Å; L416-L422 HydrophobicContact CD2-CG 3.89Å; L416-L422 HydrophobicContact CG-CB 4.27Å; L416-L422 WeakPolarHBondContact O-CD1 3.47Å
417	V	31.6	Very low	36.9	Very low	69 Å²	69	90.1 Å²	90.1	42%	0.418	42%	0.423	S	S	.	.			trans	-135.4	67.8	180	-173.2	0	0	0	0	111.5	D413 R419	D413-V417 HydrophobicContact CB-CB 3.5Å; D413-V417 VanDerWaalsContact CB-CB 3.5Å; D413-V417 HydrophobicContact CB-CG2 3.86Å; D413-V417 CarbonylContact O-C 3.57Å; D413-V417 PolarHBondContact O-N 2.83Å; D413-V417 VanDerWaalsContact OD1-CB 3.26Å; D413-V417 WeakPolarHBondContact OD1-CB 3.4Å; D413-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D413-V417 WeakPolarHBondContact OD2-CG2 3.39Å; V417-R419 VanDerWaalsContact C-N 3.31Å
418	R	32.3	Very low	36.1	Very low	255 Å²	255	92.2 Å²	92.2	96%	0.962	44%	0.437	S	S	*	.	S	Bend		-89.3	0.5	128.5	-84.7	-162.1	176.2	-165.1	1.1	113.1
419	R	30.1	Very low	35.8	Very low	166 Å²	166	86.6 Å²	86.6	63%	0.626	42%	0.424	S	S	*	.	S	Bend	trans	-147.3	138.8	174.1	-82.4	-170.6	-179.9	141.6	-0.2	109.9	L416 V417 D421	L416-R419 VanDerWaalsContact O-O 3.1Å; V417-R419 VanDerWaalsContact C-N 3.31Å; R419-D421 HydrophobicContact CB-CB 4.14Å; R419-D421 WeakPolarHBondContact CB-OD2 3.33Å; R419-D421 PolarHBondContact O-N 3.03Å
420	K	32.4	Very low	35.2	Very low	194 Å²	194	87.8 Å²	87.8	84%	0.843	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	22	179.1	-80.9	176.8	167.2	179	0	113.9
421	D	34	Very low	35.2	Very low	81 Å²	81	90.4 Å²	90.4	43%	0.433	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-1.7	-149.6	-60.6	-28.5	0	0	0	114.2	R419	R419-D421 HydrophobicContact CB-CB 4.14Å; R419-D421 WeakPolarHBondContact CB-OD2 3.33Å; R419-D421 PolarHBondContact O-N 3.03Å
422	L	34.6	Very low	35.5	Very low	58 Å²	58	87 Å²	87	30%	0.304	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	6.9	-173.9	-86.9	130.9	0	0	0	116.5	L416	L416-L422 HydrophobicContact CB-CB 3.88Å; L416-L422 HydrophobicContact CB-CD1 4.31Å; L416-L422 HydrophobicContact CD2-CB 3.76Å; L416-L422 HydrophobicContact CD2-CD1 4.04Å; L416-L422 HydrophobicContact CD2-CD2 3.41Å; L416-L422 VanDerWaalsContact CD2-CD2 3.41Å; L416-L422 HydrophobicContact CD2-CG 3.89Å; L416-L422 HydrophobicContact CG-CB 4.27Å; L416-L422 WeakPolarHBondContact O-CD1 3.47Å
423	T	36.3	Very low	35.5	Very low	71 Å²	71	89.5 Å²	89.5	44%	0.436	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.1	158.3	51.7	0	0	0	0	112.1	W409	W409-T423 HydrophobicContact CH2-CG2 4.18Å; W409-T423 HydrophobicContact CZ3-CG2 3.86Å
424	R	36.1	Very low	35.7	Very low	169 Å²	169	90 Å²	90	64%	0.638	43%	0.432	S	S	*	.	S	Bend	trans	-108.1	118.6	171.6	-73.3	-178.1	171	165.2	-2.4	109.4	D426	R424-D426 HydrophobicContact CB-CB 4.39Å; R424-D426 PolarHBondContact O-N 3.1Å
425	W	39.7	Very low	35.8	Very low	74 Å²	74	84.5 Å²	84.5	28%	0.28	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	8.8	168.3	-66.4	94	0	0	0	113.9	K367 H370 K476	K367-W425 HydrophobicContact CG-CH2 4.05Å; H370-W425 AromaticContact CD2-CZ3 3.8Å; W425-K476 HydrophobicContact CB-CD 4.09Å; W425-K476 HydrophobicContact CD2-CD 4.11Å; W425-K476 HydrophobicContact CE3-CD 4.3Å; W425-K476 HydrophobicContact CG-CD 4.05Å
426	D	36	Very low	36	Very low	103 Å²	103	87.4 Å²	87.4	55%	0.551	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	19.6	179	-73.1	-42.6	0	0	0	113.6	R424 P428 R431	R424-D426 HydrophobicContact CB-CB 4.39Å; R424-D426 PolarHBondContact O-N 3.1Å; D426-P428 WeakPolarHBondContact O-CD 3.41Å; D426-R431 IonicContact OD1-NH2 3.67Å
427	D	37	Very low	36.5	Very low	12 Å²	12	88.9 Å²	88.9	6%	0.064	43%	0.43	C	S	.	.			trans	-62.6	124.4	-178.9	-166.2	-41.3	0	0	0	112	S429 I430 R431	D427-S429 PolarHBondContact O-N 3.13Å; D427-S429 VanDerWaalsContact OD1-CB 3.26Å; D427-S429 WeakPolarHBondContact OD1-CB 3.42Å; D427-S429 PolarHBondContact OD1-N 3.31Å; D427-S429 PolarHBondContact OD1-OG 3.46Å; D427-S429 PolarHBondContact OD2-OG 3.28Å; D427-I430 PolarHBondContact O-N 3.5Å; D427-R431 PolarHBondContact O-N 3.15Å
428	P	34.5	Very low	37.2	Very low	58 Å²	58	86.9 Å²	86.9	38%	0.377	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-24	174.5	9.8	-16.1	0	0	0	114.3	D426 R431 S432 V447	D426-P428 WeakPolarHBondContact O-CD 3.41Å; P428-R431 CarbonylContact O-C 3.45Å; P428-R431 PolarHBondContact O-N 3.29Å; P428-S432 WeakPolarHBondContact O-CB 3.35Å; P428-S432 PolarHBondContact O-N 3.07Å; P428-V447 HydrophobicContact CB-CG1 3.47Å; P428-V447 VanDerWaalsContact CB-CG1 3.47Å; P428-V447 WeakPolarHBondContact O-CG1 3.42Å
429	S	36.4	Very low	37.9	Very low	54 Å²	54	79.6 Å²	79.6	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-73.9	-29	178.3	64.5	0	0	0	0	113.9	D427 S432	D427-S429 PolarHBondContact O-N 3.13Å; D427-S429 VanDerWaalsContact OD1-CB 3.26Å; D427-S429 WeakPolarHBondContact OD1-CB 3.42Å; D427-S429 PolarHBondContact OD1-N 3.31Å; D427-S429 PolarHBondContact OD1-OG 3.46Å; D427-S429 PolarHBondContact OD2-OG 3.28Å; S429-S432 PolarHBondContact O-OG 2.8Å; S429-S432 VanDerWaalsContact O-OG 3.11Å
430	I	38	Very low	38.6	Very low	50 Å²	50	79 Å²	79	26%	0.256	42%	0.417	S	S	.	.	H	α-helix	trans	-74.7	-35.6	168.7	-62.3	178.7	0	0	0	109.1	D427 F434	D427-I430 PolarHBondContact O-N 3.5Å; I430-F434 HydrophobicContact CG2-CD2 3.64Å; I430-F434 HydrophobicContact CG2-CE2 3.43Å; I430-F434 VanDerWaalsContact CG2-CE2 3.43Å; I430-F434 WeakPolarHBondContact O-CD2 3.44Å; I430-F434 PolarHBondContact O-N 3.35Å
431	R	37.7	Very low	39.2	Very low	108 Å²	108	70.5 Å²	70.5	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-69.2	-34.1	175	-78.7	-179.8	163	150	1	113.7	D426 D427 P428 F434 G435 V450	D426-R431 IonicContact OD1-NH2 3.67Å; D427-R431 PolarHBondContact O-N 3.15Å; P428-R431 CarbonylContact O-C 3.45Å; P428-R431 PolarHBondContact O-N 3.29Å; R431-F434 PolarHBondContact O-N 3.23Å; R431-G435 PolarHBondContact O-N 3.46Å; R431-V450 VanDerWaalsContact CZ-CG2 3.41Å
432	S	39.5	Very low	39.4	Very low	48 Å²	48	73 Å²	73	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-69.7	-33.4	-178.5	72.6	0	0	0	0	113.1	P428 S429	P428-S432 WeakPolarHBondContact O-CB 3.35Å; P428-S432 PolarHBondContact O-N 3.07Å; S429-S432 PolarHBondContact O-OG 2.8Å; S429-S432 VanDerWaalsContact O-OG 3.11Å
433	V	39.2	Very low	39.6	Very low	83 Å²	83	74 Å²	74	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-77.7	-32.5	176.1	-178.3	0	0	0	0	111.1	L303	L303-V433 HydrophobicContact CD1-CG1 3.98Å
434	F	38	Very low	39.5	Very low	33 Å²	33	79.7 Å²	79.7	15%	0.145	42%	0.417	C	S	.	.	H	α-helix	trans	-82.4	-9.4	176.9	-73.2	-47.7	0	0	0	114.8	L303 L371 I430 R431 N436 I437	L303-F434 HydrophobicContact CD2-CE1 3.51Å; L303-F434 HydrophobicContact CD2-CE2 4.37Å; L303-F434 HydrophobicContact CD2-CZ 3.4Å; L303-F434 VanDerWaalsContact CD2-CZ 3.4Å; L371-F434 HydrophobicContact CD2-CZ 4.34Å; I430-F434 HydrophobicContact CG2-CD2 3.64Å; I430-F434 HydrophobicContact CG2-CE2 3.43Å; I430-F434 VanDerWaalsContact CG2-CE2 3.43Å; I430-F434 WeakPolarHBondContact O-CD2 3.44Å; I430-F434 PolarHBondContact O-N 3.35Å; R431-F434 PolarHBondContact O-N 3.23Å; F434-N436 PolarHBondContact O-N 3.48Å; F434-I437 HydrophobicContact CB-CD1 3.8Å; F434-I437 HydrophobicContact CD1-CD1 3.26Å; F434-I437 HydrophobicContact CD1-CG1 4.14Å; F434-I437 HydrophobicContact CE1-CD1 4.15Å; F434-I437 HydrophobicContact CG-CD1 3.91Å; F434-I437 WeakPolarHBondContact O-CD1 3.24Å; F434-I437 VanDerWaalsContact O-CG1 3.29Å; F434-I437 WeakPolarHBondContact O-CG1 3.29Å
435	G	39.8	Very low	39.3	Very low	26 Å²	26	82.5 Å²	82.5	27%	0.268	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.9	173.2	0	0	0	0	0	114.3	R431	R431-G435 PolarHBondContact O-N 3.46Å
436	N	39.8	Very low	38.9	Very low	105 Å²	105	86 Å²	86	56%	0.561	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	10.9	-174.5	-67.9	-26	0	0	0	115	F434	F434-N436 PolarHBondContact O-N 3.48Å
437	I	44.4	Very low	38.5	Very low	49 Å²	49	84.2 Å²	84.2	25%	0.251	44%	0.444	S	S	.	.	S	Bend	trans	-82	-17.8	-166	-54.6	166.8	0	0	0	114.6	R311 F434	R311-I437 PolarHBondContact NH2-O 3.45Å; F434-I437 HydrophobicContact CB-CD1 3.8Å; F434-I437 HydrophobicContact CD1-CD1 3.26Å; F434-I437 HydrophobicContact CD1-CG1 4.14Å; F434-I437 HydrophobicContact CE1-CD1 4.15Å; F434-I437 HydrophobicContact CG-CD1 3.91Å; F434-I437 WeakPolarHBondContact O-CD1 3.24Å; F434-I437 VanDerWaalsContact O-CG1 3.29Å; F434-I437 WeakPolarHBondContact O-CG1 3.29Å
438	C	45.9	Very low	38.2	Very low	27 Å²	27	89.7 Å²	89.7	18%	0.182	47%	0.474	C	S	.	.			trans	-117.1	113.7	-179.1	170.8	0	0	0	0	110.2	N440 C441	C438-N440 PolarHBondContact O-N 3.23Å; C438-C441 HydrophobicContact CB-CB 3.53Å; C438-C441 WeakPolarHBondContact CB-SG 3.4Å; C438-C441 CarbonylContact O-C 3.58Å; C438-C441 PolarHBondContact O-N 2.8Å; C438-C441 VanDerWaalsContact O-N 3.08Å; C438-C441 VanDerWaalsContact O-O 3.1Å; C438-C441 WeakPolarHBondContact SG-CB 3.5Å; C438-C441 PolarHBondContact SG-N 2.92Å; C438-C441 CovalentContact SG-SG 2.06Å; C438-C441 PolarHBondContact SG-SG 2.66Å
439	S	46.6	Very low	38.1	Very low	103 Å²	103	95.2 Å²	95.2	72%	0.72	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.6	176.6	52.8	0	0	0	0	113.6
440	N	43.7	Very low	38.1	Very low	154 Å²	154	96.3 Å²	96.3	82%	0.824	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.4	174.7	-84	8.7	0	0	0	113.7	C438	C438-N440 PolarHBondContact O-N 3.23Å
441	C	45.4	Very low	38	Very low	15 Å²	15	104.9 Å²	104.9	10%	0.101	52%	0.521	C	S	.	.	S	Bend	trans	-119.4	86.2	-175.7	-38	0	0	0	0	106.2	C438 V443 C464	C438-C441 HydrophobicContact CB-CB 3.53Å; C438-C441 WeakPolarHBondContact CB-SG 3.4Å; C438-C441 CarbonylContact O-C 3.58Å; C438-C441 PolarHBondContact O-N 2.8Å; C438-C441 VanDerWaalsContact O-N 3.08Å; C438-C441 VanDerWaalsContact O-O 3.1Å; C438-C441 WeakPolarHBondContact SG-CB 3.5Å; C438-C441 PolarHBondContact SG-N 2.92Å; C438-C441 CovalentContact SG-SG 2.06Å; C438-C441 PolarHBondContact SG-SG 2.66Å; C441-V443 PolarHBondContact O-N 3.25Å; C441-C464 VanDerWaalsContact SG-SG 3.69Å
442	D	38.2	Very low	37.6	Very low	134 Å²	134	107.8 Å²	107.8	72%	0.717	54%	0.537	S	S	*	.			trans	-71.2	72.4	-180	-161.9	19.6	0	0	0	110.1	R444	D442-R444 PolarHBondContact O-N 3.27Å; D442-R444 WeakPolarHBondContact OD1-CB 3.33Å
443	V	39.3	Very low	37.5	Very low	79 Å²	79	108 Å²	108	48%	0.479	54%	0.537	S	S	.	.			trans	-94.7	51.7	166.5	-162.8	0	0	0	0	107.8	C441	C441-V443 PolarHBondContact O-N 3.25Å
444	R	34.7	Very low	37.5	Very low	190 Å²	190	112.8 Å²	112.8	72%	0.717	56%	0.556	S	S	*	*			trans	-80.7	117.3	160.4	-82.3	177.1	152.3	165.8	-5.2	107.5	D442	D442-R444 PolarHBondContact O-N 3.27Å; D442-R444 WeakPolarHBondContact OD1-CB 3.33Å
445	R	32.3	Very low	37.5	Very low	228 Å²	228	120.4 Å²	120.4	86%	0.86	59%	0.592	S	S	*	*	S	Bend	trans	79.8	91.7	176.2	-48.1	176	-155.8	164.5	6.6	114.4
446	D	29.9	Very low	37.7	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	61%	0.614	S	S	*	*				176.6	97.8	118.6	-85.7	-19	0	0	0	108.3	D448	D446-D448 VanDerWaalsContact C-N 3.28Å; D446-D448 PolarHBondContact O-N 2.59Å
447	V	29.2	Very low	37.8	Very low	67 Å²	67	126.7 Å²	126.7	41%	0.406	60%	0.603	S	S	.	*			trans	-91.7	71.3	176.6	-175.8	0	0	0	0	106.3	P428	P428-V447 HydrophobicContact CB-CG1 3.47Å; P428-V447 VanDerWaalsContact CB-CG1 3.47Å; P428-V447 WeakPolarHBondContact O-CG1 3.42Å
448	D	29.4	Very low	38.1	Very low	127 Å²	127	131.4 Å²	131.4	68%	0.679	63%	0.629	S	S	*	*			trans	-172.1	143.3	164.1	-88.8	-33.9	0	0	0	106.4	D446	D446-D448 VanDerWaalsContact C-N 3.28Å; D446-D448 PolarHBondContact O-N 2.59Å
449	Y	33.4	Very low	38.4	Very low	174 Å²	174	134.2 Å²	134.2	68%	0.682	65%	0.649	S	S	*	*			trans	84.2	79	-179.6	-74.1	-98.4	0	0	0	118.9	F452	Y449-F452 HydrophobicContact CD1-CB 4.38Å; Y449-F452 HydrophobicContact CD1-CD2 4.18Å; Y449-F452 HydrophobicContact CE1-CD2 4.21Å
450	V	35.5	Very low	38.7	Very low	77 Å²	77	131.7 Å²	131.7	47%	0.467	63%	0.627	S	S	.	*	S	Bend	trans	-103.3	55	145.7	-169.8	0	0	0	0	109.7	R431	R431-V450 VanDerWaalsContact CZ-CG2 3.41Å
451	R	35.6	Very low	39.7	Very low	229 Å²	229	126.6 Å²	126.6	86%	0.864	60%	0.603	S	S	*	*	S	Bend	trans	-124.7	1.9	162.5	-149.6	173.7	-175.9	-179.6	0.6	112.9
452	F	30.3	Very low	40.4	Very low	169 Å²	169	134.3 Å²	134.3	74%	0.741	64%	0.635	S	S	*	*	S	Bend	trans	-146.2	46.7	-172.1	-96.6	-78.7	0	0	0	114.4	Y449	Y449-F452 HydrophobicContact CD1-CB 4.38Å; Y449-F452 HydrophobicContact CD1-CD2 4.18Å; Y449-F452 HydrophobicContact CE1-CD2 4.21Å
453	T	37.7	Very low	41	Very low	54 Å²	54	133.2 Å²	133.2	33%	0.331	63%	0.629	S	S	.	*			trans	-130.1	68.7	172.5	52.1	0	0	0	0	112.4
454	M	38.1	Very low	41.7	Very low	183 Å²	183	130.8 Å²	130.8	90%	0.901	62%	0.615	S	S	*	*	S	Bend	trans	-87.6	-15	154.6	-85.6	-172.1	159.1	0	0	112.3
455	E	38.4	Very low	42.8	Very low	193 Å²	193	125.5 Å²	125.5	90%	0.902	60%	0.595	S	S	*	*	S	Bend	trans	-103.6	-1.9	-171.3	-69	-178.7	166.4	0	0	115.8
456	R	44.4	Very low	43.9	Very low	191 Å²	191	123 Å²	123	72%	0.721	59%	0.585	S	S	*	*			trans	-120.3	11.1	-176.8	-83.7	-169.7	179.8	177.6	1.1	116.2	N458 S459	R456-N458 PolarHBondContact O-N 3.36Å; R456-S459 PolarHBondContact O-N 3.01Å; R456-S459 PolarHBondContact O-OG 2.68Å
457	E	41.8	Very low	44.9	Very low	71 Å²	71	118 Å²	118	33%	0.332	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-59.9	-21.8	-179.6	-69.1	-175.1	163.5	0	0	113.1	S459 R465 R472	E457-S459 VanDerWaalsContact C-N 3.33Å; E457-S459 PolarHBondContact O-N 3.42Å; E457-R465 VanDerWaalsContact C-NH2 3.26Å; E457-R465 PolarHBondContact O-NE 2.88Å; E457-R465 PolarHBondContact O-NH2 2.85Å; E457-R472 IonicContact OE1-CZ 3.62Å; E457-R472 IonicContact OE1-NH1 3.55Å; E457-R472 PolarHBondContact OE1-NH1 2.63Å; E457-R472 IonicContact OE1-NH2 2.77Å
458	N	49.3	Very low	46	Very low	148 Å²	148	117.3 Å²	117.3	79%	0.791	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-75.3	-8.6	177.2	-69	-18.7	0	0	0	115.6	R456 R465	R456-N458 PolarHBondContact O-N 3.36Å; N458-R465 PolarHBondContact OD1-NH2 3.24Å
459	S	53.6	Low	46.8	Very low	87 Å²	87	115.9 Å²	115.9	61%	0.608	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-96.3	-3.4	178.1	87	0	0	0	0	114.4	R456 E457	R456-S459 PolarHBondContact O-N 3.01Å; R456-S459 PolarHBondContact O-OG 2.68Å; E457-S459 VanDerWaalsContact C-N 3.33Å; E457-S459 PolarHBondContact O-N 3.42Å
460	L	52.9	Low	47.3	Very low	50 Å²	50	109.4 Å²	109.4	26%	0.262	52%	0.524	S	S	.	.	S	Bend	trans	-91.3	136.9	176.9	-66.2	167.7	0	0	0	109.4	C464 R465 V468	L460-C464 HydrophobicContact CB-CB 4.15Å; L460-C464 HydrophobicContact CD2-CB 4.12Å; L460-R465 HydrophobicContact CB-CB 4.44Å; L460-V468 HydrophobicContact CD1-CG2 4.39Å
461	C	64.6	Low	47.9	Very low	47 Å²	47	109.1 Å²	109.1	32%	0.318	52%	0.515	S	S	.	.			trans	-63	159.5	170	77.4	0	0	0	0	110.5	D463 C464 R465	C461-D463 PolarHBondContact O-N 3.33Å; C461-D463 VanDerWaalsContact O-N 3.13Å; C461-C464 PolarHBondContact O-N 2.88Å; C461-C464 PolarHBondContact SG-N 3.19Å; C461-R465 PolarHBondContact O-N 3.29Å
462	K	59.6	Low	48.4	Very low	176 Å²	176	103.9 Å²	103.9	77%	0.765	50%	0.495	S	S	*	.	H	α-helix	trans	-51.8	-38.6	-177.6	-79.5	-176.7	174.9	179.7	0	113.2	R465 R466	K462-R465 PolarHBondContact O-N 2.95Å; K462-R466 WeakPolarHBondContact O-CB 3.31Å; K462-R466 WeakPolarHBondContact O-CG 3.29Å; K462-R466 PolarHBondContact O-N 3.2Å
463	D	50.8	Low	48.9	Very low	111 Å²	111	100 Å²	100	59%	0.594	49%	0.494	S	S	*	.	H	α-helix	trans	-71.9	-40	-179.7	-60.1	-32.3	0	0	0	112.3	C461 L467	C461-D463 PolarHBondContact O-N 3.33Å; C461-D463 VanDerWaalsContact O-N 3.13Å; D463-L467 WeakPolarHBondContact O-CB 3.48Å; D463-L467 PolarHBondContact O-N 3.08Å
464	C	54.5	Low	49.2	Very low	28 Å²	28	101.1 Å²	101.1	19%	0.189	49%	0.492	C	S	.	.	H	α-helix	trans	-67.1	-38.3	174.6	-72.9	0	0	0	0	111.6	C441 L460 C461 L467 V468	C441-C464 VanDerWaalsContact SG-SG 3.69Å; L460-C464 HydrophobicContact CB-CB 4.15Å; L460-C464 HydrophobicContact CD2-CB 4.12Å; C461-C464 PolarHBondContact O-N 2.88Å; C461-C464 PolarHBondContact SG-N 3.19Å; C464-L467 PolarHBondContact O-N 3.38Å; C464-V468 VanDerWaalsContact O-CG2 3.31Å; C464-V468 WeakPolarHBondContact O-CG2 3.33Å; C464-V468 PolarHBondContact O-N 2.88Å
465	R	58.6	Low	49.7	Very low	80 Å²	80	99 Å²	99	30%	0.302	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-48	175.6	-168	-174.2	-73.2	-173.1	-5.8	111.1	E457 N458 L460 C461 K462 L467 V468 E469	E457-R465 VanDerWaalsContact C-NH2 3.26Å; E457-R465 PolarHBondContact O-NE 2.88Å; E457-R465 PolarHBondContact O-NH2 2.85Å; N458-R465 PolarHBondContact OD1-NH2 3.24Å; L460-R465 HydrophobicContact CB-CB 4.44Å; C461-R465 PolarHBondContact O-N 3.29Å; K462-R465 PolarHBondContact O-N 2.95Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 3.48Å; R465-V468 PolarHBondContact O-N 3.46Å; R465-V468 VanDerWaalsContact O-N 3.08Å; R465-E469 WeakPolarHBondContact CD-OE1 3.5Å; R465-E469 HydrophobicContact CG-CG 4.34Å; R465-E469 VanDerWaalsContact CG-OE1 3.31Å; R465-E469 WeakPolarHBondContact CG-OE1 3.36Å; R465-E469 WeakPolarHBondContact O-CB 3.41Å; R465-E469 WeakPolarHBondContact O-CG 3.5Å; R465-E469 PolarHBondContact O-N 2.93Å
466	R	54.5	Low	50.4	Low	174 Å²	174	92.2 Å²	92.2	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-57.8	-39.3	174	-79.6	178.7	172.3	174.7	-4.2	112.9	K462 S470	K462-R466 WeakPolarHBondContact O-CB 3.31Å; K462-R466 WeakPolarHBondContact O-CG 3.29Å; K462-R466 PolarHBondContact O-N 3.2Å; R466-S470 WeakPolarHBondContact O-CB 3.47Å; R466-S470 PolarHBondContact O-N 3.4Å; R466-S470 PolarHBondContact O-OG 3.43Å
467	L	50.6	Low	50.7	Low	41 Å²	41	86 Å²	86	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-66.3	-35.2	175.4	-103.9	155.1	0	0	0	113.2	P374 D463 C464 R465 S470 R471	P374-L467 HydrophobicContact CB-CD2 4Å; P374-L467 HydrophobicContact CG-CD2 4.32Å; D463-L467 WeakPolarHBondContact O-CB 3.48Å; D463-L467 PolarHBondContact O-N 3.08Å; C464-L467 PolarHBondContact O-N 3.38Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 3.48Å; L467-S470 PolarHBondContact O-OG 3Å; L467-R471 WeakPolarHBondContact O-CB 3.42Å; L467-R471 WeakPolarHBondContact O-CD 3.21Å; L467-R471 WeakPolarHBondContact O-CG 3.27Å; L467-R471 PolarHBondContact O-N 3.46Å
468	V	51.9	Low	51.3	Low	54 Å²	54	84.5 Å²	84.5	33%	0.327	44%	0.435	S	S	.	.	H	α-helix	trans	-76.5	-42.4	176.7	171.6	0	0	0	0	110.7	L460 C464 R465 R471 R472	L460-V468 HydrophobicContact CD1-CG2 4.39Å; C464-V468 VanDerWaalsContact O-CG2 3.31Å; C464-V468 WeakPolarHBondContact O-CG2 3.33Å; C464-V468 PolarHBondContact O-N 2.88Å; R465-V468 PolarHBondContact O-N 3.46Å; R465-V468 VanDerWaalsContact O-N 3.08Å; V468-R471 PolarHBondContact O-N 2.66Å; V468-R472 WeakPolarHBondContact O-CB 3.4Å; V468-R472 WeakPolarHBondContact O-CG 3.48Å; V468-R472 PolarHBondContact O-N 3.28Å
469	E	46.9	Very low	52	Low	97 Å²	97	78.4 Å²	78.4	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-44.9	175.4	-74.5	166.8	176.2	0	0	111.4	R465 R471 R472 A473	R465-E469 WeakPolarHBondContact CD-OE1 3.5Å; R465-E469 HydrophobicContact CG-CG 4.34Å; R465-E469 VanDerWaalsContact CG-OE1 3.31Å; R465-E469 WeakPolarHBondContact CG-OE1 3.36Å; R465-E469 WeakPolarHBondContact O-CB 3.41Å; R465-E469 WeakPolarHBondContact O-CG 3.5Å; R465-E469 PolarHBondContact O-N 2.93Å; E469-R471 VanDerWaalsContact C-N 3.26Å; E469-R471 PolarHBondContact O-N 3.16Å; E469-R472 PolarHBondContact O-N 2.92Å; E469-A473 WeakPolarHBondContact O-CB 3.19Å; E469-A473 PolarHBondContact O-N 3.32Å
470	S	44.1	Very low	52.6	Low	38 Å²	38	74.7 Å²	74.7	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-32.7	176.1	74.3	0	0	0	0	112.5	R466 L467	R466-S470 WeakPolarHBondContact O-CB 3.47Å; R466-S470 PolarHBondContact O-N 3.4Å; R466-S470 PolarHBondContact O-OG 3.43Å; L467-S470 PolarHBondContact O-OG 3Å
471	R	47.4	Very low	53.3	Low	71 Å²	71	75.5 Å²	75.5	27%	0.268	38%	0.378	S	S	.	.	H	α-helix	trans	-78.5	-28.9	175	-77.2	179.4	-175.6	-147.6	1.7	113.5	L467 V468 E469	L467-R471 WeakPolarHBondContact O-CB 3.42Å; L467-R471 WeakPolarHBondContact O-CD 3.21Å; L467-R471 WeakPolarHBondContact O-CG 3.27Å; L467-R471 PolarHBondContact O-N 3.46Å; V468-R471 PolarHBondContact O-N 2.66Å; E469-R471 VanDerWaalsContact C-N 3.26Å; E469-R471 PolarHBondContact O-N 3.16Å
472	R	46.3	Very low	53.6	Low	118 Å²	118	73.8 Å²	73.8	45%	0.445	37%	0.365	S	S	.	.	H	α-helix	trans	-79.6	-38.8	176.2	-80.1	-177.5	-177.1	170.4	1.4	112.2	E457 V468 E469 R474	E457-R472 IonicContact OE1-CZ 3.62Å; E457-R472 IonicContact OE1-NH1 3.55Å; E457-R472 PolarHBondContact OE1-NH1 2.63Å; E457-R472 IonicContact OE1-NH2 2.77Å; V468-R472 WeakPolarHBondContact O-CB 3.4Å; V468-R472 WeakPolarHBondContact O-CG 3.48Å; V468-R472 PolarHBondContact O-N 3.28Å; E469-R472 PolarHBondContact O-N 2.92Å; R472-R474 PolarHBondContact O-N 3.12Å
473	A	40.2	Very low	54.3	Low	87 Å²	87	65.4 Å²	65.4	72%	0.719	33%	0.329	S	S	*	.	S	Bend	trans	-69.2	-17.1	-179	0	0	0	0	0	113.4	E469	E469-A473 WeakPolarHBondContact O-CB 3.19Å; E469-A473 PolarHBondContact O-N 3.32Å
474	R	45.8	Very low	55.6	Low	79 Å²	79	61 Å²	61	30%	0.298	31%	0.306	S	S	.	.			trans	-116.5	85.6	173.2	-57.5	-172.7	-150.3	178.5	22.9	109	S375 E380 R472 K476	S375-R474 PolarHBondContact O-NH1 3.49Å; S375-R474 PolarHBondContact O-NH2 2.88Å; E380-R474 IonicContact OE1-NH1 3.37Å; E380-R474 PolarHBondContact OE1-NH1 3.14Å; R472-R474 PolarHBondContact O-N 3.12Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.19Å
475	T	47.8	Very low	56.8	Low	139 Å²	139	63.4 Å²	63.4	85%	0.853	32%	0.317	S	S	*	.			trans	-54.8	101.1	158.5	33.8	0	0	0	0	106.8
476	K	52.4	Low	57.9	Low	50 Å²	50	59.6 Å²	59.6	22%	0.217	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58.9	139.4	-164.3	-64.7	177.4	-164.4	171.2	0	110.6	H370 W425 R474 N478	H370-K476 WeakPolarHBondContact CE1-CE 3.48Å; H370-K476 WeakPolarHBondContact NE2-CE 3.46Å; H370-K476 PolarHBondContact NE2-NZ 3.19Å; W425-K476 HydrophobicContact CB-CD 4.09Å; W425-K476 HydrophobicContact CD2-CD 4.11Å; W425-K476 HydrophobicContact CE3-CD 4.3Å; W425-K476 HydrophobicContact CG-CD 4.05Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.19Å; K476-N478 PolarHBondContact O-N 3.25Å
477	P	50.6	Low	58.9	Low	60 Å²	60	52 Å²	52	39%	0.39	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-61.9	128.3	180	23.4	-29.6	0	0	0	109	E481 I482	P477-E481 VanDerWaalsContact CA-OE2 3.25Å; P477-E481 WeakPolarHBondContact CA-OE2 3.32Å; P477-E481 HydrophobicContact CB-CB 4.27Å; P477-I482 HydrophobicContact CB-CD1 4.17Å; P477-I482 HydrophobicContact CB-CG1 3.72Å; P477-I482 HydrophobicContact CG-CD1 3.88Å; P477-I482 HydrophobicContact CG-CG1 3.82Å
478	N	55.8	Low	60.2	Low	39 Å²	39	53.4 Å²	53.4	21%	0.209	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-55.9	144.8	175	-78.3	-52.2	0	0	0	108.3	K476 F480 E481 I482	K476-N478 PolarHBondContact O-N 3.25Å; N478-F480 CarbonylContact O-C 3.44Å; N478-F480 PolarHBondContact O-N 2.9Å; N478-E481 HydrophobicContact CB-CG 4.22Å; N478-E481 PolarHBondContact N-OE2 3.33Å; N478-E481 VanDerWaalsContact N-OE2 3.16Å; N478-E481 PolarHBondContact ND2-OE1 2.83Å; N478-E481 WeakPolarHBondContact O-CA 3.2Å; N478-E481 WeakPolarHBondContact O-CB 3.37Å; N478-E481 PolarHBondContact O-N 3.45Å; N478-I482 PolarHBondContact O-N 2.94Å; N478-I482 VanDerWaalsContact O-N 3.15Å
479	M	62.5	Low	61.7	Low	21 Å²	21	54.1 Å²	54.1	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-49.8	-32.6	178	-174.2	179.2	80.8	0	0	111.6	I363 L407 W409 I482 L483	I363-M479 HydrophobicContact CG2-CG 4.49Å; I363-M479 HydrophobicContact CG2-SD 3.78Å; L407-M479 HydrophobicContact CD1-CE 4.33Å; W409-M479 HydrophobicContact CH2-CE 3.49Å; W409-M479 VanDerWaalsContact CH2-CE 3.49Å; W409-M479 HydrophobicContact CZ2-CE 3.54Å; W409-M479 HydrophobicContact CZ3-CE 4.31Å; M479-I482 PolarHBondContact O-N 3.43Å; M479-L483 HydrophobicContact CG-CD1 4.5Å; M479-L483 VanDerWaalsContact O-CG 3.3Å; M479-L483 WeakPolarHBondContact O-CG 3.42Å; M479-L483 PolarHBondContact O-N 3.42Å; M479-L483 VanDerWaalsContact O-N 3.1Å
480	F	66.2	Low	63.4	Low	8 Å²	8	55 Å²	55	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-48.6	171.8	-71.7	-80.9	0	0	0	114	L404 W409 N478 I482 L483 V484 R522 M523	L404-F480 HydrophobicContact CD2-CD1 3.71Å; L404-F480 HydrophobicContact CD2-CE1 3.7Å; W409-F480 AromaticContact CH2-CE2 3.81Å; W409-F480 HydrophobicContact CH2-CE2 3.81Å; W409-F480 HydrophobicContact CH2-CZ 4.29Å; W409-F480 AromaticContact CZ2-CE2 3.42Å; W409-F480 HydrophobicContact CZ2-CE2 3.42Å; W409-F480 VanDerWaalsContact CZ2-CE2 3.42Å; W409-F480 AromaticContact CZ2-CZ 3.44Å; W409-F480 HydrophobicContact CZ2-CZ 3.44Å; W409-F480 VanDerWaalsContact CZ2-CZ 3.44Å; N478-F480 CarbonylContact O-C 3.44Å; N478-F480 PolarHBondContact O-N 2.9Å; F480-I482 PolarHBondContact O-N 3.13Å; F480-L483 PolarHBondContact O-N 2.74Å; F480-L483 VanDerWaalsContact O-N 3.13Å; F480-V484 WeakPolarHBondContact O-CB 3.24Å; F480-V484 WeakPolarHBondContact O-CG2 3.24Å; F480-V484 PolarHBondContact O-N 3.32Å; F480-R522 HydrophobicContact CD2-CB 4.28Å; F480-R522 HydrophobicContact CE1-CB 4.03Å; F480-R522 HydrophobicContact CE2-CB 3.6Å; F480-R522 HydrophobicContact CE2-CG 3.98Å; F480-R522 HydrophobicContact CZ-CB 3.44Å; F480-R522 VanDerWaalsContact CZ-CB 3.44Å; F480-R522 HydrophobicContact CZ-CG 3.99Å; F480-M523 HydrophobicContact CD1-SD 4.43Å
481	E	68.9	Low	65.3	Low	68 Å²	68	55.1 Å²	55.1	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-38.4	178.1	-70.2	163.4	-162.5	0	0	111	P477 N478 L483 V484 D485 S526	P477-E481 VanDerWaalsContact CA-OE2 3.25Å; P477-E481 WeakPolarHBondContact CA-OE2 3.32Å; P477-E481 HydrophobicContact CB-CB 4.27Å; N478-E481 HydrophobicContact CB-CG 4.22Å; N478-E481 PolarHBondContact N-OE2 3.33Å; N478-E481 VanDerWaalsContact N-OE2 3.16Å; N478-E481 PolarHBondContact ND2-OE1 2.83Å; N478-E481 WeakPolarHBondContact O-CA 3.2Å; N478-E481 WeakPolarHBondContact O-CB 3.37Å; N478-E481 PolarHBondContact O-N 3.45Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.84Å; E481-V484 PolarHBondContact O-N 3.35Å; E481-D485 VanDerWaalsContact O-CB 3.26Å; E481-D485 WeakPolarHBondContact O-CB 3.19Å; E481-D485 PolarHBondContact O-N 3.23Å; E481-S526 VanDerWaalsContact CG-OG 3.25Å; E481-S526 WeakPolarHBondContact CG-OG 3.45Å
482	I	70.9	Confident	67	Low	10 Å²	10	57.9 Å²	57.9	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-37.4	178.4	-56.7	170.6	0	0	0	111.4	Y362 L366 F379 P477 N478 M479 F480 I486	Y362-I482 HydrophobicContact CE1-CG2 3.72Å; Y362-I482 WeakPolarHBondContact OH-CG2 3.48Å; L366-I482 HydrophobicContact CD1-CD1 3.61Å; L366-I482 HydrophobicContact CD2-CD1 3.22Å; L366-I482 HydrophobicContact CD2-CG1 4.49Å; L366-I482 HydrophobicContact CD2-CG2 4.36Å; L366-I482 HydrophobicContact CG-CD1 4.02Å; F379-I482 HydrophobicContact CZ-CG2 4.25Å; P477-I482 HydrophobicContact CB-CD1 4.17Å; P477-I482 HydrophobicContact CB-CG1 3.72Å; P477-I482 HydrophobicContact CG-CD1 3.88Å; P477-I482 HydrophobicContact CG-CG1 3.82Å; N478-I482 PolarHBondContact O-N 2.94Å; N478-I482 VanDerWaalsContact O-N 3.15Å; M479-I482 PolarHBondContact O-N 3.43Å; F480-I482 PolarHBondContact O-N 3.13Å; I482-I486 WeakPolarHBondContact O-CG1 3.47Å; I482-I486 PolarHBondContact O-N 2.87Å
483	L	73.8	Confident	68.9	Low	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-71.7	-40.1	175.5	-73.3	176.5	0	0	0	111.8	I363 L400 L404 M479 F480 E481 D485 I486	I363-L483 HydrophobicContact CD1-CD1 4.44Å; I363-L483 HydrophobicContact CD1-CD2 4.18Å; I363-L483 HydrophobicContact CG1-CD2 4.2Å; L400-L483 HydrophobicContact CD1-CB 4.2Å; L400-L483 HydrophobicContact CD1-CD1 4.43Å; L400-L483 HydrophobicContact CD1-CD2 3.71Å; L400-L483 HydrophobicContact CD1-CG 4.31Å; L404-L483 HydrophobicContact CD2-CD1 3.94Å; M479-L483 HydrophobicContact CG-CD1 4.5Å; M479-L483 VanDerWaalsContact O-CG 3.3Å; M479-L483 WeakPolarHBondContact O-CG 3.42Å; M479-L483 PolarHBondContact O-N 3.42Å; M479-L483 VanDerWaalsContact O-N 3.1Å; F480-L483 PolarHBondContact O-N 2.74Å; F480-L483 VanDerWaalsContact O-N 3.13Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.84Å; L483-D485 VanDerWaalsContact C-N 3.28Å; L483-D485 PolarHBondContact O-N 3.49Å; L483-I486 HydrophobicContact CD2-CD1 3.72Å; L483-I486 VanDerWaalsContact O-CB 3.27Å; L483-I486 WeakPolarHBondContact O-CB 3.47Å; L483-I486 WeakPolarHBondContact O-CG1 3.43Å; L483-I486 PolarHBondContact O-N 3.2Å; L483-I486 VanDerWaalsContact O-N 3.17Å
484	V	77.3	Confident	71.1	Confident	18 Å²	18	48.7 Å²	48.7	11%	0.109	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-40.1	173.4	172.4	0	0	0	0	110.1	F480 E481 I486 F487 F493 F527	F480-V484 WeakPolarHBondContact O-CB 3.24Å; F480-V484 WeakPolarHBondContact O-CG2 3.24Å; F480-V484 PolarHBondContact O-N 3.32Å; E481-V484 PolarHBondContact O-N 3.35Å; V484-I486 PolarHBondContact O-N 3.31Å; V484-I486 VanDerWaalsContact O-N 3.16Å; V484-F487 WeakPolarHBondContact O-CB 3.18Å; V484-F487 PolarHBondContact O-N 3.38Å; V484-F493 HydrophobicContact CG1-CD1 4.24Å; V484-F493 HydrophobicContact CG1-CG 4.23Å; V484-F493 HydrophobicContact CG2-CD1 4.05Å; V484-F493 HydrophobicContact CG2-CD2 4.38Å; V484-F493 HydrophobicContact CG2-CE1 3.69Å; V484-F493 HydrophobicContact CG2-CE2 4.06Å; V484-F493 HydrophobicContact CG2-CG 4.36Å; V484-F493 HydrophobicContact CG2-CZ 3.69Å; V484-F527 HydrophobicContact CG1-CE2 4.45Å; V484-F527 HydrophobicContact CG1-CZ 3.88Å; V484-F527 HydrophobicContact CG2-CE2 3.78Å; V484-F527 HydrophobicContact CG2-CZ 4.01Å
485	D	80.7	Confident	72.9	Confident	78 Å²	78	50.2 Å²	50.2	42%	0.417	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.2	-16.5	178.8	-166.5	40.4	0	0	0	113.2	K387 R391 E481 L483 F487 A488	K387-D485 WeakPolarHBondContact CE-OD2 3.23Å; K387-D485 IonicContact NZ-OD2 3.07Å; K387-D485 PolarHBondContact NZ-OD2 3.01Å; R391-D485 PolarHBondContact NH2-O 3.27Å; E481-D485 VanDerWaalsContact O-CB 3.26Å; E481-D485 WeakPolarHBondContact O-CB 3.19Å; E481-D485 PolarHBondContact O-N 3.23Å; L483-D485 VanDerWaalsContact C-N 3.28Å; L483-D485 PolarHBondContact O-N 3.49Å; D485-F487 PolarHBondContact O-N 3.04Å; D485-A488 PolarHBondContact O-N 3.01Å; D485-A488 VanDerWaalsContact O-N 3.12Å
486	I	81.5	Confident	74.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.2	168.7	-54.7	175.8	0	0	0	110.7	L359 Y362 K387 L390 R391 M396 I482 L483 V484 A488	L359-I486 HydrophobicContact CD2-CD1 3.82Å; Y362-I486 HydrophobicContact CD1-CD1 4.03Å; Y362-I486 HydrophobicContact CE1-CD1 3.95Å; Y362-I486 HydrophobicContact CE1-CG1 4.21Å; K387-I486 HydrophobicContact CG-CG1 4.24Å; L390-I486 HydrophobicContact CB-CG2 4.15Å; L390-I486 HydrophobicContact CD1-CD1 4.27Å; L390-I486 HydrophobicContact CD1-CG2 4.49Å; R391-I486 WeakPolarHBondContact CD-O 3.47Å; R391-I486 WeakPolarHBondContact CG-O 3.49Å; R391-I486 PolarHBondContact NE-O 3.42Å; M396-I486 HydrophobicContact SD-CG2 4.26Å; I482-I486 WeakPolarHBondContact O-CG1 3.47Å; I482-I486 PolarHBondContact O-N 2.87Å; L483-I486 HydrophobicContact CD2-CD1 3.72Å; L483-I486 VanDerWaalsContact O-CB 3.27Å; L483-I486 WeakPolarHBondContact O-CB 3.47Å; L483-I486 WeakPolarHBondContact O-CG1 3.43Å; L483-I486 PolarHBondContact O-N 3.2Å; L483-I486 VanDerWaalsContact O-N 3.17Å; V484-I486 PolarHBondContact O-N 3.31Å; V484-I486 VanDerWaalsContact O-N 3.16Å; I486-A488 VanDerWaalsContact C-N 3.33Å
487	F	76.4	Confident	76.1	Confident	16 Å²	16	41.7 Å²	41.7	7%	0.07	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79	-14.6	176.9	-86.8	-107.8	0	0	0	113.9	M396 E397 L400 M401 V484 D485 D489 K492 F493 A496	M396-F487 HydrophobicContact CE-CD2 4.09Å; M396-F487 HydrophobicContact CE-CE1 4.29Å; M396-F487 HydrophobicContact CE-CE2 3.74Å; M396-F487 HydrophobicContact CE-CG 4.49Å; M396-F487 HydrophobicContact CE-CZ 3.91Å; M396-F487 HydrophobicContact SD-CD2 4.2Å; M396-F487 HydrophobicContact SD-CE2 3.53Å; M396-F487 VanDerWaalsContact SD-CE2 3.53Å; M396-F487 HydrophobicContact SD-CZ 3.98Å; E397-F487 HydrophobicContact CB-CE1 4.5Å; E397-F487 HydrophobicContact CB-CZ 3.98Å; E397-F487 HydrophobicContact CG-CE1 3.81Å; E397-F487 HydrophobicContact CG-CZ 3.67Å; L400-F487 HydrophobicContact CB-CE2 4.47Å; L400-F487 HydrophobicContact CD2-CD2 3.78Å; L400-F487 HydrophobicContact CD2-CE2 3.35Å; L400-F487 HydrophobicContact CD2-CZ 4.49Å; L400-F487 HydrophobicContact CG-CE2 4.48Å; M401-F487 HydrophobicContact CE-CE2 4.25Å; M401-F487 HydrophobicContact CE-CZ 3.94Å; V484-F487 WeakPolarHBondContact O-CB 3.18Å; V484-F487 PolarHBondContact O-N 3.38Å; D485-F487 PolarHBondContact O-N 3.04Å; F487-D489 PolarHBondContact O-N 3.44Å; F487-K492 HydrophobicContact CD1-CB 4.23Å; F487-F493 HydrophobicContact CB-CB 3.85Å; F487-F493 HydrophobicContact CD1-CB 4.05Å; F487-F493 HydrophobicContact CD2-CB 4.3Å; F487-F493 AromaticContact CD2-CD2 3.63Å; F487-F493 HydrophobicContact CD2-CD2 3.63Å; F487-F493 HydrophobicContact CD2-CG 4.45Å; F487-F493 AromaticContact CE2-CD2 3.91Å; F487-F493 HydrophobicContact CE2-CD2 3.91Å; F487-F493 HydrophobicContact CG-CB 3.79Å; F487-F493 HydrophobicContact CG-CD2 4.02Å; F487-F493 HydrophobicContact CG-CG 4.42Å; F487-F493 HydrophobicContact CZ-CD2 4.46Å; F487-A496 HydrophobicContact CE1-CB 3.96Å; F487-A496 HydrophobicContact CZ-CB 4.22Å
488	A	77.7	Confident	77.8	Confident	70 Å²	70	40.9 Å²	40.9	58%	0.579	21%	0.213	S	C	*	.	S	Bend	trans	59.6	-38.2	-168.9	0	0	0	0	0	114.9	D485 I486	D485-A488 PolarHBondContact O-N 3.01Å; D485-A488 VanDerWaalsContact O-N 3.12Å; I486-A488 VanDerWaalsContact C-N 3.33Å
489	D	83.3	Confident	79.1	Confident	69 Å²	69	46 Å²	46	37%	0.369	23%	0.233	S	C	.	.			trans	-107.9	116	176.9	-179.9	-0.4	0	0	0	110.4	F487 G491 K492 F493	F487-D489 PolarHBondContact O-N 3.44Å; D489-G491 PolarHBondContact O-N 3.48Å; D489-G491 PolarHBondContact OD1-N 3.35Å; D489-K492 HydrophobicContact CB-CB 4.16Å; D489-K492 HydrophobicContact CB-CD 3.97Å; D489-K492 HydrophobicContact CB-CG 4.1Å; D489-K492 PolarHBondContact O-N 3.2Å; D489-K492 WeakPolarHBondContact OD2-CE 3.48Å; D489-K492 WeakPolarHBondContact OD2-CG 3.34Å; D489-F493 PolarHBondContact O-N 3.32Å; D489-F493 VanDerWaalsContact O-N 3.17Å
490	R	82.9	Confident	80.1	Confident	116 Å²	116	46.2 Å²	46.2	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-34.6	177.3	-176.3	179	167.1	138.7	-0.6	112.4	L494 S526 F527 E531	R490-L494 PolarHBondContact O-N 2.91Å; R490-L494 VanDerWaalsContact O-N 3.09Å; R490-S526 PolarHBondContact NH1-O 2.71Å; R490-S526 PolarHBondContact NH2-O 3.16Å; R490-F527 HydrophobicContact CG-CD1 4.34Å; R490-F527 HydrophobicContact CG-CE1 3.43Å; R490-F527 VanDerWaalsContact CG-CE1 3.43Å; R490-F527 HydrophobicContact CG-CZ 4.1Å; R490-E531 IonicContact CZ-OE1 2.81Å; R490-E531 IonicContact CZ-OE2 2.79Å; R490-E531 IonicContact NE-OE1 3.55Å; R490-E531 PolarHBondContact NE-OE1 3.5Å; R490-E531 IonicContact NE-OE2 3.71Å; R490-E531 IonicContact NH2-OE1 3.54Å; R490-E531 PolarHBondContact NH2-OE1 3.27Å; R490-E531 IonicContact NH2-OE2 3.79Å; R490-E531 PolarHBondContact NH2-OE2 3.29Å
491	G	82.7	Confident	81.1	Confident	40 Å²	40	45.9 Å²	45.9	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-68.9	-45.9	178.8	0	0	0	0	0	112.3	D489 F493 L494 K495	D489-G491 PolarHBondContact O-N 3.48Å; D489-G491 PolarHBondContact OD1-N 3.35Å; G491-F493 VanDerWaalsContact C-N 3.31Å; G491-F493 PolarHBondContact O-N 3.21Å; G491-L494 PolarHBondContact O-N 2.89Å; G491-K495 PolarHBondContact O-N 2.91Å
492	K	83.7	Confident	81.9	Confident	128 Å²	128	42.7 Å²	42.7	56%	0.557	22%	0.22	S	C	*	.	H	α-helix	trans	-59	-43.9	175.2	-74.3	176.8	-166.1	177.6	0	111.8	F487 D489 K495 A496	F487-K492 HydrophobicContact CD1-CB 4.23Å; D489-K492 HydrophobicContact CB-CB 4.16Å; D489-K492 HydrophobicContact CB-CD 3.97Å; D489-K492 HydrophobicContact CB-CG 4.1Å; D489-K492 PolarHBondContact O-N 3.2Å; D489-K492 WeakPolarHBondContact OD2-CE 3.48Å; D489-K492 WeakPolarHBondContact OD2-CG 3.34Å; K492-K495 PolarHBondContact O-N 2.98Å; K492-A496 WeakPolarHBondContact O-CB 2.98Å; K492-A496 PolarHBondContact O-N 2.79Å
493	F	85.7	Confident	82.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-49.6	175.3	174.9	-91.7	0	0	0	111.9	L400 M401 L404 V484 F487 D489 G491 K495 A496 F497 M523 F527	L400-F493 HydrophobicContact CD2-CD2 4.33Å; L400-F493 HydrophobicContact CD2-CE2 3.98Å; M401-F493 HydrophobicContact CE-CD2 3.7Å; M401-F493 HydrophobicContact CE-CE2 3.62Å; M401-F493 HydrophobicContact CE-CG 4.42Å; M401-F493 HydrophobicContact CE-CZ 4.28Å; M401-F493 HydrophobicContact SD-CE2 4.3Å; L404-F493 HydrophobicContact CD1-CE2 3.59Å; L404-F493 HydrophobicContact CD1-CZ 3.55Å; V484-F493 HydrophobicContact CG1-CD1 4.24Å; V484-F493 HydrophobicContact CG1-CG 4.23Å; V484-F493 HydrophobicContact CG2-CD1 4.05Å; V484-F493 HydrophobicContact CG2-CD2 4.38Å; V484-F493 HydrophobicContact CG2-CE1 3.69Å; V484-F493 HydrophobicContact CG2-CE2 4.06Å; V484-F493 HydrophobicContact CG2-CG 4.36Å; V484-F493 HydrophobicContact CG2-CZ 3.69Å; F487-F493 HydrophobicContact CB-CB 3.85Å; F487-F493 HydrophobicContact CD1-CB 4.05Å; F487-F493 HydrophobicContact CD2-CB 4.3Å; F487-F493 AromaticContact CD2-CD2 3.63Å; F487-F493 HydrophobicContact CD2-CD2 3.63Å; F487-F493 HydrophobicContact CD2-CG 4.45Å; F487-F493 AromaticContact CE2-CD2 3.91Å; F487-F493 HydrophobicContact CE2-CD2 3.91Å; F487-F493 HydrophobicContact CG-CB 3.79Å; F487-F493 HydrophobicContact CG-CD2 4.02Å; F487-F493 HydrophobicContact CG-CG 4.42Å; F487-F493 HydrophobicContact CZ-CD2 4.46Å; D489-F493 PolarHBondContact O-N 3.32Å; D489-F493 VanDerWaalsContact O-N 3.17Å; G491-F493 VanDerWaalsContact C-N 3.31Å; G491-F493 PolarHBondContact O-N 3.21Å; F493-K495 VanDerWaalsContact C-N 3.3Å; F493-K495 PolarHBondContact O-N 3.28Å; F493-A496 PolarHBondContact O-N 2.85Å; F493-F497 HydrophobicContact CE1-CB 4.34Å; F493-F497 VanDerWaalsContact O-CB 3.32Å; F493-F497 WeakPolarHBondContact O-CB 3.41Å; F493-F497 PolarHBondContact O-N 3.42Å; F493-M523 HydrophobicContact CE1-CE 3.37Å; F493-M523 HydrophobicContact CE1-SD 4.24Å; F493-M523 HydrophobicContact CZ-CE 3.64Å; F493-M523 HydrophobicContact CZ-SD 4.19Å; F493-F527 HydrophobicContact CD1-CE1 4.3Å; F493-F527 AromaticContact CD1-CE2 3.82Å; F493-F527 HydrophobicContact CD1-CE2 3.82Å; F493-F527 AromaticContact CD1-CZ 3.37Å; F493-F527 HydrophobicContact CD1-CZ 3.37Å; F493-F527 AromaticContact CE1-CE2 3.48Å; F493-F527 HydrophobicContact CE1-CE2 3.48Å; F493-F527 VanDerWaalsContact CE1-CE2 3.48Å; F493-F527 AromaticContact CE1-CZ 3.56Å; F493-F527 HydrophobicContact CE1-CZ 3.56Å; F493-F527 HydrophobicContact CG-CZ 4.48Å
494	L	86.1	Confident	82.7	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-41.2	178.9	-85.2	169.3	0	0	0	112.2	R490 G491 F497 R498 F527 E531 L532	R490-L494 PolarHBondContact O-N 2.91Å; R490-L494 VanDerWaalsContact O-N 3.09Å; G491-L494 PolarHBondContact O-N 2.89Å; L494-F497 PolarHBondContact O-N 2.83Å; L494-R498 WeakPolarHBondContact O-CB 3.12Å; L494-R498 VanDerWaalsContact O-CG 3.26Å; L494-R498 WeakPolarHBondContact O-CG 3.25Å; L494-R498 PolarHBondContact O-N 3.35Å; L494-F527 HydrophobicContact CD1-CD1 3.67Å; L494-F527 HydrophobicContact CD1-CE1 3.61Å; L494-F527 HydrophobicContact CD2-CD1 3.58Å; L494-F527 HydrophobicContact CD2-CE1 3.68Å; L494-F527 HydrophobicContact CD2-CG 4.04Å; L494-F527 HydrophobicContact CD2-CZ 4.27Å; L494-F527 HydrophobicContact CG-CD1 3.71Å; L494-F527 HydrophobicContact CG-CE1 3.38Å; L494-F527 HydrophobicContact CG-CZ 4.11Å; L494-E531 HydrophobicContact CD1-CB 4.17Å; L494-E531 HydrophobicContact CD1-CG 4.21Å; L494-E531 HydrophobicContact CD2-CB 4.45Å; L494-L532 HydrophobicContact CD2-CD2 4.25Å
495	K	83.4	Confident	83.1	Confident	111 Å²	111	46.7 Å²	46.7	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-50.6	177.4	-172.1	179.1	-165.9	143.5	0	111.5	G491 K492 F493 F497 R498 K499 E790	G491-K495 PolarHBondContact O-N 2.91Å; K492-K495 PolarHBondContact O-N 2.98Å; F493-K495 VanDerWaalsContact C-N 3.3Å; F493-K495 PolarHBondContact O-N 3.28Å; K495-F497 VanDerWaalsContact C-N 3.33Å; K495-F497 PolarHBondContact O-N 3.28Å; K495-R498 PolarHBondContact O-N 3.14Å; K495-K499 WeakPolarHBondContact O-CB 3.38Å; K495-K499 PolarHBondContact O-N 2.8Å; K495-E790 VanDerWaalsContact CD-OE1 3.32Å; K495-E790 WeakPolarHBondContact CD-OE1 3.29Å; K495-E790 WeakPolarHBondContact CE-OE1 3.43Å; K495-E790 IonicContact NZ-OE1 3.27Å; K495-E790 PolarHBondContact NZ-OE1 3.19Å; K495-E790 IonicContact NZ-OE2 3.1Å
496	A	83.5	Confident	83.2	Confident	10 Å²	10	44.5 Å²	44.5	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-41.5	177.7	0	0	0	0	0	111.4	M401 F487 K492 F493 K499 S500	M401-A496 HydrophobicContact CE-CB 3.74Å; F487-A496 HydrophobicContact CE1-CB 3.96Å; F487-A496 HydrophobicContact CZ-CB 4.22Å; K492-A496 WeakPolarHBondContact O-CB 2.98Å; K492-A496 PolarHBondContact O-N 2.79Å; F493-A496 PolarHBondContact O-N 2.85Å; A496-K499 PolarHBondContact O-N 2.6Å; A496-S500 WeakPolarHBondContact O-CB 3.29Å; A496-S500 PolarHBondContact O-N 3.48Å
497	F	85.4	Confident	83	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-51.2	176.5	177.8	-103.4	0	0	0	111.7	M401 V405 F493 L494 K495 K499 S500 F501 L520 M523 L532	M401-F497 HydrophobicContact CE-CB 3.82Å; M401-F497 WeakPolarHBondContact SD-CA 3.28Å; M401-F497 HydrophobicContact SD-CB 3.66Å; M401-F497 HydrophobicContact SD-CD2 3.68Å; M401-F497 HydrophobicContact SD-CG 4.17Å; V405-F497 HydrophobicContact CG2-CE2 4.38Å; F493-F497 HydrophobicContact CE1-CB 4.34Å; F493-F497 VanDerWaalsContact O-CB 3.32Å; F493-F497 WeakPolarHBondContact O-CB 3.41Å; F493-F497 PolarHBondContact O-N 3.42Å; L494-F497 PolarHBondContact O-N 2.83Å; K495-F497 VanDerWaalsContact C-N 3.33Å; K495-F497 PolarHBondContact O-N 3.28Å; F497-K499 VanDerWaalsContact C-N 3.27Å; F497-K499 PolarHBondContact O-N 3.3Å; F497-S500 PolarHBondContact O-N 3.27Å; F497-F501 HydrophobicContact CE1-CD2 4.26Å; F497-F501 HydrophobicContact CE2-CD2 4.21Å; F497-F501 HydrophobicContact CZ-CB 4.48Å; F497-F501 AromaticContact CZ-CD2 3.69Å; F497-F501 HydrophobicContact CZ-CD2 3.69Å; F497-F501 HydrophobicContact CZ-CE2 4.29Å; F497-F501 HydrophobicContact CZ-CG 4.36Å; F497-F501 WeakPolarHBondContact O-CB 3.27Å; F497-F501 PolarHBondContact O-N 2.86Å; F497-L520 HydrophobicContact CE1-CD2 3.79Å; F497-L520 HydrophobicContact CZ-CD2 3.84Å; F497-M523 HydrophobicContact CB-CE 4.42Å; F497-M523 HydrophobicContact CD1-CE 3.68Å; F497-M523 HydrophobicContact CD2-CE 3.65Å; F497-M523 HydrophobicContact CE1-CE 3.74Å; F497-M523 HydrophobicContact CE2-CE 3.73Å; F497-M523 HydrophobicContact CG-CE 3.63Å; F497-M523 HydrophobicContact CZ-CE 3.77Å; F497-M523 HydrophobicContact CZ-CG 4.35Å; F497-L532 HydrophobicContact CE1-CD2 4.27Å
498	R	86.1	Confident	83	Confident	43 Å²	43	50.1 Å²	50.1	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-40.6	177.7	-74.4	178	-174.4	178.1	12.3	111	L494 K495 A502 E531 D534 R538 H788	L494-R498 WeakPolarHBondContact O-CB 3.12Å; L494-R498 VanDerWaalsContact O-CG 3.26Å; L494-R498 WeakPolarHBondContact O-CG 3.25Å; L494-R498 PolarHBondContact O-N 3.35Å; K495-R498 PolarHBondContact O-N 3.14Å; R498-A502 WeakPolarHBondContact O-CB 3.17Å; R498-A502 PolarHBondContact O-N 2.99Å; R498-E531 PolarHBondContact NE-O 3.18Å; R498-E531 PolarHBondContact NH2-O 3.37Å; R498-D534 IonicContact CZ-OD2 3.37Å; R498-D534 IonicContact NE-OD2 3.55Å; R498-D534 IonicContact NH1-OD2 3.49Å; R498-D534 PolarHBondContact NH1-OD2 3.08Å; R498-R538 PolarHBondContact O-NH1 3.49Å; R498-H788 PolarHBondContact NH1-O 3.39Å
499	K	83.8	Confident	82.7	Confident	145 Å²	145	51.7 Å²	51.7	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-65	-52.8	177.3	-175.3	178.4	178.5	-179.2	0	111.1	K495 A496 F497 F501 A502 V503	K495-K499 WeakPolarHBondContact O-CB 3.38Å; K495-K499 PolarHBondContact O-N 2.8Å; A496-K499 PolarHBondContact O-N 2.6Å; F497-K499 VanDerWaalsContact C-N 3.27Å; F497-K499 PolarHBondContact O-N 3.3Å; K499-F501 PolarHBondContact O-N 3.18Å; K499-A502 PolarHBondContact O-N 2.77Å; K499-V503 WeakPolarHBondContact O-CG2 3.32Å; K499-V503 PolarHBondContact O-N 3.4Å
500	S	83.3	Confident	82.7	Confident	27 Å²	27	52.1 Å²	52.1	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-44.3	-179.9	-178.5	0	0	0	0	112	M401 A496 F497 A502 V503 R504	M401-S500 VanDerWaalsContact CB-OG 3.3Å; M401-S500 WeakPolarHBondContact CB-OG 3.33Å; A496-S500 WeakPolarHBondContact O-CB 3.29Å; A496-S500 PolarHBondContact O-N 3.48Å; F497-S500 PolarHBondContact O-N 3.27Å; S500-A502 VanDerWaalsContact C-N 3.34Å; S500-A502 PolarHBondContact O-N 3.4Å; S500-V503 PolarHBondContact O-N 3.04Å; S500-R504 VanDerWaalsContact O-CB 3.28Å; S500-R504 WeakPolarHBondContact O-CB 3.03Å; S500-R504 PolarHBondContact O-N 3.24Å
501	F	85.5	Confident	82.8	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-43.7	176.6	-167.4	-88.8	0	0	0	112.1	F497 K499 M505 E516 L520 C535 R538 L539	F497-F501 HydrophobicContact CE1-CD2 4.26Å; F497-F501 HydrophobicContact CE2-CD2 4.21Å; F497-F501 HydrophobicContact CZ-CB 4.48Å; F497-F501 AromaticContact CZ-CD2 3.69Å; F497-F501 HydrophobicContact CZ-CD2 3.69Å; F497-F501 HydrophobicContact CZ-CE2 4.29Å; F497-F501 HydrophobicContact CZ-CG 4.36Å; F497-F501 WeakPolarHBondContact O-CB 3.27Å; F497-F501 PolarHBondContact O-N 2.86Å; K499-F501 PolarHBondContact O-N 3.18Å; F501-M505 HydrophobicContact CD1-CG 4.18Å; F501-M505 HydrophobicContact CE1-CE 4.47Å; F501-M505 HydrophobicContact CE1-CG 4.01Å; F501-M505 HydrophobicContact CE2-CE 4.48Å; F501-M505 HydrophobicContact CZ-CE 4.2Å; F501-M505 VanDerWaalsContact O-CG 3.23Å; F501-M505 WeakPolarHBondContact O-CG 3.44Å; F501-M505 PolarHBondContact O-N 3.43Å; F501-E516 HydrophobicContact CE2-CB 3.77Å; F501-E516 HydrophobicContact CE2-CG 4.09Å; F501-E516 HydrophobicContact CZ-CB 3.97Å; F501-L520 HydrophobicContact CE2-CD1 4.41Å; F501-L520 HydrophobicContact CE2-CD2 4.21Å; F501-L520 HydrophobicContact CE2-CG 4.09Å; F501-L520 HydrophobicContact CZ-CD1 3.92Å; F501-L520 HydrophobicContact CZ-CD2 4.43Å; F501-L520 HydrophobicContact CZ-CG 4.1Å; F501-C535 HydrophobicContact CD1-CB 3.92Å; F501-C535 HydrophobicContact CE1-CB 3.83Å; F501-C535 HydrophobicContact CG-CB 4.45Å; F501-C535 HydrophobicContact CZ-CB 4.27Å; F501-R538 HydrophobicContact CE1-CB 4.35Å; F501-L539 HydrophobicContact CE1-CD2 4.15Å; F501-L539 HydrophobicContact CE1-CG 4.14Å; F501-L539 HydrophobicContact CZ-CD1 4.21Å; F501-L539 HydrophobicContact CZ-CD2 3.68Å; F501-L539 HydrophobicContact CZ-CG 3.75Å
502	A	86.3	Confident	82.9	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-52.2	175.7	0	0	0	0	0	111.8	R498 K499 S500 R504 M505 L506 W596 P597	R498-A502 WeakPolarHBondContact O-CB 3.17Å; R498-A502 PolarHBondContact O-N 2.99Å; K499-A502 PolarHBondContact O-N 2.77Å; S500-A502 VanDerWaalsContact C-N 3.34Å; S500-A502 PolarHBondContact O-N 3.4Å; A502-R504 VanDerWaalsContact C-N 3.27Å; A502-R504 PolarHBondContact O-N 3.3Å; A502-M505 PolarHBondContact O-N 3.41Å; A502-L506 WeakPolarHBondContact O-CG 3.47Å; A502-L506 PolarHBondContact O-N 3.38Å; A502-W596 HydrophobicContact CB-CE3 4.32Å; A502-P597 VanDerWaalsContact CB-CD 3.42Å; A502-P597 HydrophobicContact CB-CG 3.38Å
503	V	80.7	Confident	83	Confident	54 Å²	54	45.1 Å²	45.1	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-57.4	-43.3	-179.6	172.6	0	0	0	0	110.9	K499 S500 M505 L506 L507	K499-V503 WeakPolarHBondContact O-CG2 3.32Å; K499-V503 PolarHBondContact O-N 3.4Å; S500-V503 PolarHBondContact O-N 3.04Å; V503-M505 VanDerWaalsContact C-N 3.32Å; V503-M505 PolarHBondContact O-N 3.23Å; V503-L506 PolarHBondContact O-N 2.96Å; V503-L507 HydrophobicContact CG1-CD1 3.77Å; V503-L507 HydrophobicContact CG1-CG 4.37Å; V503-L507 WeakPolarHBondContact O-CG 3.19Å; V503-L507 PolarHBondContact O-N 3.42Å
504	R	81	Confident	82.9	Confident	57 Å²	57	49.8 Å²	49.8	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-37.7	176.6	-172.6	177.2	178.6	99.5	0.8	112.7	E406 S500 A502 R508 E516	E406-R504 IonicContact OE1-CZ 3.83Å; E406-R504 IonicContact OE1-NH1 3.6Å; E406-R504 PolarHBondContact OE1-NH1 2.91Å; E406-R504 VanDerWaalsContact OE1-NH1 3.1Å; E406-R504 IonicContact OE1-NH2 3.95Å; S500-R504 VanDerWaalsContact O-CB 3.28Å; S500-R504 WeakPolarHBondContact O-CB 3.03Å; S500-R504 PolarHBondContact O-N 3.24Å; A502-R504 VanDerWaalsContact C-N 3.27Å; A502-R504 PolarHBondContact O-N 3.3Å; R504-R508 PolarHBondContact O-N 2.97Å; R504-E516 IonicContact NE-OE1 3.38Å; R504-E516 PolarHBondContact NE-OE1 2.87Å
505	M	85.7	Confident	82.5	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-33.2	175.1	-70	-65.8	134.2	0	0	112.8	F501 A502 V503 E516 L539 V542 W596	F501-M505 HydrophobicContact CD1-CG 4.18Å; F501-M505 HydrophobicContact CE1-CE 4.47Å; F501-M505 HydrophobicContact CE1-CG 4.01Å; F501-M505 HydrophobicContact CE2-CE 4.48Å; F501-M505 HydrophobicContact CZ-CE 4.2Å; F501-M505 VanDerWaalsContact O-CG 3.23Å; F501-M505 WeakPolarHBondContact O-CG 3.44Å; F501-M505 PolarHBondContact O-N 3.43Å; A502-M505 PolarHBondContact O-N 3.41Å; V503-M505 VanDerWaalsContact C-N 3.32Å; V503-M505 PolarHBondContact O-N 3.23Å; M505-E516 HydrophobicContact CE-CB 3.68Å; M505-E516 VanDerWaalsContact CE-CD 3.45Å; M505-E516 HydrophobicContact CE-CG 3.24Å; M505-L539 HydrophobicContact CE-CD2 4.06Å; M505-L539 HydrophobicContact SD-CD2 3.98Å; M505-V542 HydrophobicContact CB-CG2 4.28Å; M505-V542 HydrophobicContact CG-CG2 4.43Å; M505-V542 HydrophobicContact SD-CG2 3.87Å; M505-W596 HydrophobicContact CB-CH2 3.61Å; M505-W596 HydrophobicContact CB-CZ3 3.91Å
506	L	83.3	Confident	82.4	Confident	31 Å²	31	47.4 Å²	47.4	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-43.5	175.4	-66	171.2	0	0	0	111.8	A502 V503 R508 L589 W596 L599 W636	A502-L506 WeakPolarHBondContact O-CG 3.47Å; A502-L506 PolarHBondContact O-N 3.38Å; V503-L506 PolarHBondContact O-N 2.96Å; L506-R508 PolarHBondContact O-N 3.11Å; L506-L589 HydrophobicContact CD2-CD2 3.93Å; L506-W596 HydrophobicContact CD2-CE3 3.75Å; L506-W596 HydrophobicContact CD2-CH2 4.28Å; L506-W596 HydrophobicContact CD2-CZ3 3.46Å; L506-W596 VanDerWaalsContact CD2-CZ3 3.46Å; L506-W596 HydrophobicContact CG-CE3 4.1Å; L506-W596 HydrophobicContact CG-CZ3 3.68Å; L506-L599 HydrophobicContact CD1-CD2 3.55Å; L506-L599 HydrophobicContact CD2-CD2 4.5Å; L506-W636 HydrophobicContact CB-CE3 4.44Å; L506-W636 HydrophobicContact CD1-CD2 4.36Å; L506-W636 HydrophobicContact CD1-CE3 3.62Å; L506-W636 HydrophobicContact CD1-CH2 4.27Å; L506-W636 HydrophobicContact CD1-CZ3 3.57Å
507	L	75.8	Confident	82.5	Confident	78 Å²	78	48.3 Å²	48.3	41%	0.408	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.1	-176.3	-65.8	175.1	0	0	0	113.9	V503 L727	V503-L507 HydrophobicContact CG1-CD1 3.77Å; V503-L507 HydrophobicContact CG1-CG 4.37Å; V503-L507 WeakPolarHBondContact O-CG 3.19Å; V503-L507 PolarHBondContact O-N 3.42Å; L507-L727 HydrophobicContact CD2-CB 4.22Å
508	R	77.7	Confident	82.1	Confident	57 Å²	57	52.1 Å²	52.1	22%	0.215	27%	0.266	C	S	.	.			trans	-74	136.2	-176	-110.6	172.1	176.5	-132.7	-21.7	112.3	R504 L506 N512 E516	R504-R508 PolarHBondContact O-N 2.97Å; L506-R508 PolarHBondContact O-N 3.11Å; R508-N512 PolarHBondContact NH1-O 2.83Å; R508-N512 PolarHBondContact NH2-O 3.49Å; R508-E516 IonicContact CZ-OE1 3.92Å; R508-E516 IonicContact CZ-OE2 3.78Å; R508-E516 IonicContact NE-OE1 2.85Å; R508-E516 PolarHBondContact NE-OE1 2.67Å; R508-E516 IonicContact NH1-OE2 3.09Å; R508-E516 PolarHBondContact NH1-OE2 3.15Å; R508-E516 IonicContact NH2-OE1 3.74Å; R508-E516 PolarHBondContact NH2-OE1 3.1Å; R508-E516 IonicContact NH2-OE2 3.52Å; R508-E516 PolarHBondContact NH2-OE2 3.07Å
509	T	71.6	Confident	81.8	Confident	102 Å²	102	50 Å²	50	63%	0.626	26%	0.258	S	S	*	.	S	Bend	trans	-90.6	-18.8	175.7	57.2	0	0	0	0	113.1	R587	T509-R587 PolarHBondContact O-NH1 3.27Å
510	N	82.8	Confident	81.7	Confident	79 Å²	79	43.3 Å²	43.3	42%	0.422	23%	0.229	S	C	.	.	S	Bend	trans	-124.2	157	180	72.1	53.6	0	0	0	112	N512	N510-N512 PolarHBondContact OD1-N 2.81Å; N510-N512 VanDerWaalsContact OD1-N 3.12Å
511	F	84.8	Confident	81.5	Confident	49 Å²	49	45.1 Å²	45.1	22%	0.215	24%	0.236	C	C	.	.			trans	-91.9	11.1	179.5	-59	-71.2	0	0	0	113.4	T513 V542 G546 D549 R587	F511-T513 PolarHBondContact O-N 2.87Å; F511-V542 HydrophobicContact CB-CG1 4.5Å; F511-V542 HydrophobicContact CD1-CG1 4.08Å; F511-V542 WeakPolarHBondContact CD1-O 3.28Å; F511-G546 VanDerWaalsContact CD2-CA 3.5Å; F511-D549 HydrophobicContact CE2-CB 3.69Å; F511-D549 HydrophobicContact CZ-CB 4.04Å; F511-R587 HydrophobicContact CZ-CB 4.45Å
512	N	84.5	Confident	80.8	Confident	83 Å²	83	46.9 Å²	46.9	44%	0.444	24%	0.243	S	C	.	.			trans	-77.1	111	179.6	179.7	-7.4	0	0	0	110	R508 N510 D514	R508-N512 PolarHBondContact NH1-O 2.83Å; R508-N512 PolarHBondContact NH2-O 3.49Å; N510-N512 PolarHBondContact OD1-N 2.81Å; N510-N512 VanDerWaalsContact OD1-N 3.12Å; N512-D514 PolarHBondContact ND2-OD2 3.03Å; N512-D514 WeakPolarHBondContact OD1-CB 3.17Å; N512-D514 PolarHBondContact OD1-N 2.83Å; N512-D514 PolarHBondContact OD1-OD1 3.11Å; N512-D514 PolarHBondContact OD1-OD2 2.95Å
513	T	85.8	Confident	80.4	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.031	24%	0.243	C	C	.	.			trans	-102.3	11.6	-174.3	49.6	0	0	0	0	114.7	F511 L515 E516 T517 L539 V542 R543	F511-T513 PolarHBondContact O-N 2.87Å; T513-L515 PolarHBondContact O-N 2.86Å; T513-E516 PolarHBondContact O-N 2.74Å; T513-T517 WeakPolarHBondContact O-CB 3.49Å; T513-T517 PolarHBondContact O-N 3.18Å; T513-T517 PolarHBondContact O-OG1 2.76Å; T513-L539 HydrophobicContact CG2-CD2 3.84Å; T513-V542 HydrophobicContact CG2-CB 3.99Å; T513-V542 HydrophobicContact CG2-CG1 3.52Å; T513-R543 HydrophobicContact CG2-CG 4.33Å; T513-R543 WeakPolarHBondContact OG1-CG 3.36Å; T513-R543 PolarHBondContact OG1-NE 2.81Å
514	D	83.6	Confident	80.2	Confident	97 Å²	97	49.6 Å²	49.6	52%	0.519	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-50.7	-170.9	-63.2	-22.8	0	0	0	112.3	N512 E516 T517 D518	N512-D514 PolarHBondContact ND2-OD2 3.03Å; N512-D514 WeakPolarHBondContact OD1-CB 3.17Å; N512-D514 PolarHBondContact OD1-N 2.83Å; N512-D514 PolarHBondContact OD1-OD1 3.11Å; N512-D514 PolarHBondContact OD1-OD2 2.95Å; D514-E516 VanDerWaalsContact C-N 3.33Å; D514-E516 PolarHBondContact O-N 2.86Å; D514-T517 WeakPolarHBondContact O-CB 3.32Å; D514-T517 PolarHBondContact O-N 3.39Å; D514-T517 VanDerWaalsContact O-N 3.16Å; D514-D518 PolarHBondContact O-N 3.27Å
515	L	77.7	Confident	79.6	Confident	75 Å²	75	54 Å²	54	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-40.3	-178	-66.8	174.6	0	0	0	113	T513 D518 C519	T513-L515 PolarHBondContact O-N 2.86Å; L515-D518 PolarHBondContact O-N 2.91Å; L515-C519 WeakPolarHBondContact O-CB 3.44Å; L515-C519 PolarHBondContact O-N 3.44Å
516	E	82.7	Confident	78.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-79.7	-26.2	-179.7	-67.8	89.2	169.8	0	0	112.6	V405 F501 R504 M505 R508 T513 D514 C519 L520 L539	V405-E516 HydrophobicContact CG1-CG 3.66Å; F501-E516 HydrophobicContact CE2-CB 3.77Å; F501-E516 HydrophobicContact CE2-CG 4.09Å; F501-E516 HydrophobicContact CZ-CB 3.97Å; R504-E516 IonicContact NE-OE1 3.38Å; R504-E516 PolarHBondContact NE-OE1 2.87Å; M505-E516 HydrophobicContact CE-CB 3.68Å; M505-E516 VanDerWaalsContact CE-CD 3.45Å; M505-E516 HydrophobicContact CE-CG 3.24Å; R508-E516 IonicContact CZ-OE1 3.92Å; R508-E516 IonicContact CZ-OE2 3.78Å; R508-E516 IonicContact NE-OE1 2.85Å; R508-E516 PolarHBondContact NE-OE1 2.67Å; R508-E516 IonicContact NH1-OE2 3.09Å; R508-E516 PolarHBondContact NH1-OE2 3.15Å; R508-E516 IonicContact NH2-OE1 3.74Å; R508-E516 PolarHBondContact NH2-OE1 3.1Å; R508-E516 IonicContact NH2-OE2 3.52Å; R508-E516 PolarHBondContact NH2-OE2 3.07Å; T513-E516 PolarHBondContact O-N 2.74Å; D514-E516 VanDerWaalsContact C-N 3.33Å; D514-E516 PolarHBondContact O-N 2.86Å; E516-C519 PolarHBondContact O-N 2.99Å; E516-L520 WeakPolarHBondContact O-CB 3.47Å; E516-L520 WeakPolarHBondContact O-CG 3.49Å; E516-L520 PolarHBondContact O-N 2.81Å; E516-L539 HydrophobicContact CB-CD2 3.94Å
517	T	84.5	Confident	78.8	Confident	29 Å²	29	53.7 Å²	53.7	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-48.6	167.9	-51.2	0	0	0	0	109.4	T513 D514 C519 L520 D521 R543	T513-T517 WeakPolarHBondContact O-CB 3.49Å; T513-T517 PolarHBondContact O-N 3.18Å; T513-T517 PolarHBondContact O-OG1 2.76Å; D514-T517 WeakPolarHBondContact O-CB 3.32Å; D514-T517 PolarHBondContact O-N 3.39Å; D514-T517 VanDerWaalsContact O-N 3.16Å; T517-C519 VanDerWaalsContact C-N 3.3Å; T517-C519 PolarHBondContact O-N 3.49Å; T517-L520 PolarHBondContact O-N 3.08Å; T517-D521 PolarHBondContact O-N 3.33Å; T517-R543 PolarHBondContact OG1-NH2 3.25Å
518	D	77.5	Confident	79.2	Confident	79 Å²	79	52.5 Å²	52.5	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-38.9	175.9	-69.2	-15.2	0	0	0	111.9	D514 L515 D521 R522	D514-D518 PolarHBondContact O-N 3.27Å; L515-D518 PolarHBondContact O-N 2.91Å; D518-D521 PolarHBondContact O-N 3.37Å; D518-R522 WeakPolarHBondContact O-CG 3.42Å; D518-R522 PolarHBondContact O-N 3.32Å; D518-R522 VanDerWaalsContact O-N 3.08Å; D518-R522 PolarHBondContact O-NE 2.98Å
519	C	78.6	Confident	79.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-50	174.1	-172.7	0	0	0	0	111.3	L404 L515 E516 T517 D521 R522 M523	L404-C519 PolarHBondContact O-SG 2.82Å; L515-C519 WeakPolarHBondContact O-CB 3.44Å; L515-C519 PolarHBondContact O-N 3.44Å; E516-C519 PolarHBondContact O-N 2.99Å; T517-C519 VanDerWaalsContact C-N 3.3Å; T517-C519 PolarHBondContact O-N 3.49Å; C519-D521 VanDerWaalsContact C-N 3.33Å; C519-D521 PolarHBondContact O-N 3Å; C519-R522 PolarHBondContact O-N 3.27Å; C519-M523 VanDerWaalsContact O-CG 3.27Å; C519-M523 WeakPolarHBondContact O-CG 3.37Å; C519-M523 PolarHBondContact O-N 2.72Å
520	L	82.6	Confident	79.9	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-37.8	178.1	-74.7	-175.4	0	0	0	112.6	F497 F501 E516 T517 R522 M523 R524 L532 C535 K536 L539	F497-L520 HydrophobicContact CE1-CD2 3.79Å; F497-L520 HydrophobicContact CZ-CD2 3.84Å; F501-L520 HydrophobicContact CE2-CD1 4.41Å; F501-L520 HydrophobicContact CE2-CD2 4.21Å; F501-L520 HydrophobicContact CE2-CG 4.09Å; F501-L520 HydrophobicContact CZ-CD1 3.92Å; F501-L520 HydrophobicContact CZ-CD2 4.43Å; F501-L520 HydrophobicContact CZ-CG 4.1Å; E516-L520 WeakPolarHBondContact O-CB 3.47Å; E516-L520 WeakPolarHBondContact O-CG 3.49Å; E516-L520 PolarHBondContact O-N 2.81Å; T517-L520 PolarHBondContact O-N 3.08Å; L520-R522 VanDerWaalsContact C-N 3.27Å; L520-R522 PolarHBondContact O-N 3Å; L520-M523 PolarHBondContact O-N 3.22Å; L520-M523 VanDerWaalsContact O-N 3.1Å; L520-R524 WeakPolarHBondContact O-CG 3.45Å; L520-R524 PolarHBondContact O-N 2.89Å; L520-L532 HydrophobicContact CD2-CD2 4.39Å; L520-C535 HydrophobicContact CD1-CB 3.8Å; L520-C535 HydrophobicContact CD2-CB 3.6Å; L520-C535 HydrophobicContact CG-CB 4.35Å; L520-K536 HydrophobicContact CD1-CG 4.3Å; L520-L539 HydrophobicContact CD1-CD1 3.44Å; L520-L539 VanDerWaalsContact CD1-CD1 3.44Å; L520-L539 HydrophobicContact CD1-CG 4.06Å; L520-L539 HydrophobicContact CG-CD1 4.33Å
521	D	78.2	Confident	80	Confident	64 Å²	64	54.7 Å²	54.7	34%	0.342	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-34.4	177.1	-72	-16.6	0	0	0	111.7	T517 D518 C519 R524	T517-D521 PolarHBondContact O-N 3.33Å; D518-D521 PolarHBondContact O-N 3.37Å; C519-D521 VanDerWaalsContact C-N 3.33Å; C519-D521 PolarHBondContact O-N 3Å; D521-R524 WeakPolarHBondContact O-CB 3.35Å; D521-R524 PolarHBondContact O-N 3.01Å; D521-R524 IonicContact OD1-CZ 3.9Å; D521-R524 IonicContact OD1-NE 3.46Å; D521-R524 PolarHBondContact OD1-NE 2.95Å; D521-R524 IonicContact OD1-NH2 3.72Å; D521-R524 PolarHBondContact OD1-NH2 3.02Å
522	R	72.1	Confident	80.2	Confident	39 Å²	39	52.4 Å²	52.4	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-72	-32.1	170.7	-69.9	178.9	-68.3	-125.9	-3.5	112.8	W409 F480 D518 C519 L520 R524 W525	W409-R522 VanDerWaalsContact CD1-CZ 3.45Å; F480-R522 HydrophobicContact CD2-CB 4.28Å; F480-R522 HydrophobicContact CE1-CB 4.03Å; F480-R522 HydrophobicContact CE2-CB 3.6Å; F480-R522 HydrophobicContact CE2-CG 3.98Å; F480-R522 HydrophobicContact CZ-CB 3.44Å; F480-R522 VanDerWaalsContact CZ-CB 3.44Å; F480-R522 HydrophobicContact CZ-CG 3.99Å; D518-R522 WeakPolarHBondContact O-CG 3.42Å; D518-R522 PolarHBondContact O-N 3.32Å; D518-R522 VanDerWaalsContact O-N 3.08Å; D518-R522 PolarHBondContact O-NE 2.98Å; C519-R522 PolarHBondContact O-N 3.27Å; L520-R522 VanDerWaalsContact C-N 3.27Å; L520-R522 PolarHBondContact O-N 3Å; R522-R524 PolarHBondContact O-N 3.49Å; R522-W525 PolarHBondContact O-N 3.42Å
523	M	76.4	Confident	80.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.3	-20.1	176.4	-67.8	-79.9	-87.1	0	0	112.7	F480 F493 F497 C519 L520 W525 S526 F527 L532	F480-M523 HydrophobicContact CD1-SD 4.43Å; F493-M523 HydrophobicContact CE1-CE 3.37Å; F493-M523 HydrophobicContact CE1-SD 4.24Å; F493-M523 HydrophobicContact CZ-CE 3.64Å; F493-M523 HydrophobicContact CZ-SD 4.19Å; F497-M523 HydrophobicContact CB-CE 4.42Å; F497-M523 HydrophobicContact CD1-CE 3.68Å; F497-M523 HydrophobicContact CD2-CE 3.65Å; F497-M523 HydrophobicContact CE1-CE 3.74Å; F497-M523 HydrophobicContact CE2-CE 3.73Å; F497-M523 HydrophobicContact CG-CE 3.63Å; F497-M523 HydrophobicContact CZ-CE 3.77Å; F497-M523 HydrophobicContact CZ-CG 4.35Å; C519-M523 VanDerWaalsContact O-CG 3.27Å; C519-M523 WeakPolarHBondContact O-CG 3.37Å; C519-M523 PolarHBondContact O-N 2.72Å; L520-M523 PolarHBondContact O-N 3.22Å; L520-M523 VanDerWaalsContact O-N 3.1Å; M523-W525 PolarHBondContact O-N 3.45Å; M523-S526 PolarHBondContact O-N 3.06Å; M523-F527 HydrophobicContact CB-CD2 4.49Å; M523-F527 HydrophobicContact CE-CD2 4.23Å; M523-F527 HydrophobicContact CE-CE2 4.12Å; M523-F527 PolarHBondContact O-N 2.79Å; M523-F527 HydrophobicContact SD-CD2 4.4Å; M523-F527 HydrophobicContact SD-CE2 4.36Å; M523-L532 HydrophobicContact CB-CD1 3.81Å; M523-L532 HydrophobicContact CB-CD2 4.45Å
524	R	76.5	Confident	80.5	Confident	110 Å²	110	52 Å²	52	42%	0.415	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.1	174.7	-60.1	-173.4	-161.1	-170.2	16.8	114	L520 D521 R522 S526 F527 E529 L532	L520-R524 WeakPolarHBondContact O-CG 3.45Å; L520-R524 PolarHBondContact O-N 2.89Å; D521-R524 WeakPolarHBondContact O-CB 3.35Å; D521-R524 PolarHBondContact O-N 3.01Å; D521-R524 IonicContact OD1-CZ 3.9Å; D521-R524 IonicContact OD1-NE 3.46Å; D521-R524 PolarHBondContact OD1-NE 2.95Å; D521-R524 IonicContact OD1-NH2 3.72Å; D521-R524 PolarHBondContact OD1-NH2 3.02Å; R522-R524 PolarHBondContact O-N 3.49Å; R524-S526 VanDerWaalsContact C-N 3.31Å; R524-F527 WeakPolarHBondContact CA-O 3.23Å; R524-E529 IonicContact CZ-OE1 3.92Å; R524-E529 IonicContact NE-OE1 3.59Å; R524-E529 IonicContact NH1-OE1 3.15Å; R524-E529 PolarHBondContact NH1-OE1 3.41Å; R524-L532 HydrophobicContact CG-CD1 4.41Å
525	W	69.3	Low	80.8	Confident	151 Å²	151	47.3 Å²	47.3	57%	0.572	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.9	175.1	-67.1	111	0	0	0	112.1	R522 M523	R522-W525 PolarHBondContact O-N 3.42Å; M523-W525 PolarHBondContact O-N 3.45Å
526	S	71.3	Confident	81.5	Confident	20 Å²	20	46 Å²	46	14%	0.14	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-29.5	-177.8	-51.4	0	0	0	0	112.5	E481 R490 M523 R524	E481-S526 VanDerWaalsContact CG-OG 3.25Å; E481-S526 WeakPolarHBondContact CG-OG 3.45Å; R490-S526 PolarHBondContact NH1-O 2.71Å; R490-S526 PolarHBondContact NH2-O 3.16Å; M523-S526 PolarHBondContact O-N 3.06Å; R524-S526 VanDerWaalsContact C-N 3.31Å
527	F	81.2	Confident	81.9	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-117.1	145	-172.2	-61.5	-79.4	0	0	0	113	V484 R490 F493 L494 M523 R524 E531 L532	V484-F527 HydrophobicContact CG1-CE2 4.45Å; V484-F527 HydrophobicContact CG1-CZ 3.88Å; V484-F527 HydrophobicContact CG2-CE2 3.78Å; V484-F527 HydrophobicContact CG2-CZ 4.01Å; R490-F527 HydrophobicContact CG-CD1 4.34Å; R490-F527 HydrophobicContact CG-CE1 3.43Å; R490-F527 VanDerWaalsContact CG-CE1 3.43Å; R490-F527 HydrophobicContact CG-CZ 4.1Å; F493-F527 HydrophobicContact CD1-CE1 4.3Å; F493-F527 AromaticContact CD1-CE2 3.82Å; F493-F527 HydrophobicContact CD1-CE2 3.82Å; F493-F527 AromaticContact CD1-CZ 3.37Å; F493-F527 HydrophobicContact CD1-CZ 3.37Å; F493-F527 AromaticContact CE1-CE2 3.48Å; F493-F527 HydrophobicContact CE1-CE2 3.48Å; F493-F527 VanDerWaalsContact CE1-CE2 3.48Å; F493-F527 AromaticContact CE1-CZ 3.56Å; F493-F527 HydrophobicContact CE1-CZ 3.56Å; F493-F527 HydrophobicContact CG-CZ 4.48Å; L494-F527 HydrophobicContact CD1-CD1 3.67Å; L494-F527 HydrophobicContact CD1-CE1 3.61Å; L494-F527 HydrophobicContact CD2-CD1 3.58Å; L494-F527 HydrophobicContact CD2-CE1 3.68Å; L494-F527 HydrophobicContact CD2-CG 4.04Å; L494-F527 HydrophobicContact CD2-CZ 4.27Å; L494-F527 HydrophobicContact CG-CD1 3.71Å; L494-F527 HydrophobicContact CG-CE1 3.38Å; L494-F527 HydrophobicContact CG-CZ 4.11Å; M523-F527 HydrophobicContact CB-CD2 4.49Å; M523-F527 HydrophobicContact CE-CD2 4.23Å; M523-F527 HydrophobicContact CE-CE2 4.12Å; M523-F527 PolarHBondContact O-N 2.79Å; M523-F527 HydrophobicContact SD-CD2 4.4Å; M523-F527 HydrophobicContact SD-CE2 4.36Å; R524-F527 WeakPolarHBondContact CA-O 3.23Å; F527-E531 WeakPolarHBondContact CA-OE2 3.32Å; F527-E531 HydrophobicContact CB-CB 4.46Å; F527-E531 WeakPolarHBondContact CD1-OE2 3.25Å; F527-L532 HydrophobicContact CB-CD1 3.98Å; F527-L532 HydrophobicContact CB-CD2 4.33Å; F527-L532 HydrophobicContact CB-CG 3.98Å
528	S	83.3	Confident	82.3	Confident	53 Å²	53	45.9 Å²	45.9	37%	0.371	22%	0.216	S	C	.	.			trans	-70.7	162.3	176	79.5	0	0	0	0	110.9	E530 E531 L532	S528-E530 PolarHBondContact O-N 3.48Å; S528-E530 PolarHBondContact OG-N 3.01Å; S528-E531 PolarHBondContact N-OE2 2.99Å; S528-E531 PolarHBondContact O-N 3.38Å; S528-E531 WeakPolarHBondContact OG-CG 3.44Å; S528-E531 PolarHBondContact OG-N 3.44Å; S528-L532 PolarHBondContact O-N 3.48Å
529	E	80.9	Confident	83	Confident	105 Å²	105	42.6 Å²	42.6	49%	0.491	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.8	176	-64	-142.5	135.9	0	0	113	R524 L532 I533 K536	R524-E529 IonicContact CZ-OE1 3.92Å; R524-E529 IonicContact NE-OE1 3.59Å; R524-E529 IonicContact NH1-OE1 3.15Å; R524-E529 PolarHBondContact NH1-OE1 3.41Å; E529-L532 PolarHBondContact O-N 3.36Å; E529-I533 PolarHBondContact O-N 3.38Å; E529-K536 IonicContact OE1-NZ 2.72Å; E529-K536 PolarHBondContact OE1-NZ 3.41Å; E529-K536 IonicContact OE2-NZ 3.71Å; E529-K536 PolarHBondContact OE2-NZ 3.01Å
530	E	84.1	Confident	83.6	Confident	132 Å²	132	51 Å²	51	62%	0.617	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-40.6	179.5	-61.8	-179.9	177.5	0	0	111.1	S528 L532 I533	S528-E530 PolarHBondContact O-N 3.48Å; S528-E530 PolarHBondContact OG-N 3.01Å; E530-L532 PolarHBondContact O-N 2.81Å; E530-I533 WeakPolarHBondContact O-CB 3.49Å; E530-I533 VanDerWaalsContact O-CG2 3.29Å; E530-I533 WeakPolarHBondContact O-CG2 3.38Å; E530-I533 PolarHBondContact O-N 2.89Å
531	E	85.4	Confident	84.1	Confident	47 Å²	47	51.8 Å²	51.8	22%	0.22	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.3	176.4	-69.6	174.1	127.4	0	0	112.7	R490 L494 R498 F527 S528	R490-E531 IonicContact CZ-OE1 2.81Å; R490-E531 IonicContact CZ-OE2 2.79Å; R490-E531 IonicContact NE-OE1 3.55Å; R490-E531 PolarHBondContact NE-OE1 3.5Å; R490-E531 IonicContact NE-OE2 3.71Å; R490-E531 IonicContact NH2-OE1 3.54Å; R490-E531 PolarHBondContact NH2-OE1 3.27Å; R490-E531 IonicContact NH2-OE2 3.79Å; R490-E531 PolarHBondContact NH2-OE2 3.29Å; L494-E531 HydrophobicContact CD1-CB 4.17Å; L494-E531 HydrophobicContact CD1-CG 4.21Å; L494-E531 HydrophobicContact CD2-CB 4.45Å; R498-E531 PolarHBondContact NE-O 3.18Å; R498-E531 PolarHBondContact NH2-O 3.37Å; F527-E531 WeakPolarHBondContact CA-OE2 3.32Å; F527-E531 HydrophobicContact CB-CB 4.46Å; F527-E531 WeakPolarHBondContact CD1-OE2 3.25Å; S528-E531 PolarHBondContact N-OE2 2.99Å; S528-E531 PolarHBondContact O-N 3.38Å; S528-E531 WeakPolarHBondContact OG-CG 3.44Å; S528-E531 PolarHBondContact OG-N 3.44Å
532	L	88.1	Confident	84.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	7.2	-178.2	-63.8	176.6	0	0	0	113.3	L494 F497 L520 M523 R524 F527 S528 E529 E530 D534 C535 K536	L494-L532 HydrophobicContact CD2-CD2 4.25Å; F497-L532 HydrophobicContact CE1-CD2 4.27Å; L520-L532 HydrophobicContact CD2-CD2 4.39Å; M523-L532 HydrophobicContact CB-CD1 3.81Å; M523-L532 HydrophobicContact CB-CD2 4.45Å; R524-L532 HydrophobicContact CG-CD1 4.41Å; F527-L532 HydrophobicContact CB-CD1 3.98Å; F527-L532 HydrophobicContact CB-CD2 4.33Å; F527-L532 HydrophobicContact CB-CG 3.98Å; S528-L532 PolarHBondContact O-N 3.48Å; E529-L532 PolarHBondContact O-N 3.36Å; E530-L532 PolarHBondContact O-N 2.81Å; L532-D534 VanDerWaalsContact C-N 3.3Å; L532-D534 PolarHBondContact O-N 3Å; L532-C535 PolarHBondContact O-N 3.24Å; L532-K536 PolarHBondContact O-N 3.24Å
533	I	88.6	Confident	85.7	Confident	66 Å²	66	53.2 Å²	53.2	34%	0.338	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-41.6	-173.9	-159.2	164.4	0	0	0	111.9	E529 E530 C535 K536 V537 H788	E529-I533 PolarHBondContact O-N 3.38Å; E530-I533 WeakPolarHBondContact O-CB 3.49Å; E530-I533 VanDerWaalsContact O-CG2 3.29Å; E530-I533 WeakPolarHBondContact O-CG2 3.38Å; E530-I533 PolarHBondContact O-N 2.89Å; I533-C535 PolarHBondContact O-N 2.85Å; I533-K536 PolarHBondContact O-N 3.37Å; I533-V537 WeakPolarHBondContact O-CG2 3.3Å; I533-V537 PolarHBondContact O-N 2.82Å; I533-H788 HydrophobicContact CG2-CB 4.44Å
534	D	88.3	Confident	86.5	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-49.1	178.1	-55.9	-16.4	0	0	0	110.9	R498 L532 K536 V537 R538 F595 H788	R498-D534 IonicContact CZ-OD2 3.37Å; R498-D534 IonicContact NE-OD2 3.55Å; R498-D534 IonicContact NH1-OD2 3.49Å; R498-D534 PolarHBondContact NH1-OD2 3.08Å; L532-D534 VanDerWaalsContact C-N 3.3Å; L532-D534 PolarHBondContact O-N 3Å; D534-K536 VanDerWaalsContact C-N 3.35Å; D534-K536 PolarHBondContact O-N 3.44Å; D534-V537 PolarHBondContact O-N 3.48Å; D534-R538 WeakPolarHBondContact O-CG 3.46Å; D534-R538 PolarHBondContact O-N 2.92Å; D534-F595 WeakPolarHBondContact OD1-CD1 3.42Å; D534-H788 WeakPolarHBondContact OD1-CB 3.23Å
535	C	90.6	Very high	87.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-37.5	-179.5	-60.8	0	0	0	0	112.1	F501 L520 L532 I533 R538 L539	F501-C535 HydrophobicContact CD1-CB 3.92Å; F501-C535 HydrophobicContact CE1-CB 3.83Å; F501-C535 HydrophobicContact CG-CB 4.45Å; F501-C535 HydrophobicContact CZ-CB 4.27Å; L520-C535 HydrophobicContact CD1-CB 3.8Å; L520-C535 HydrophobicContact CD2-CB 3.6Å; L520-C535 HydrophobicContact CG-CB 4.35Å; L532-C535 PolarHBondContact O-N 3.24Å; I533-C535 PolarHBondContact O-N 2.85Å; C535-R538 PolarHBondContact O-N 2.61Å; C535-L539 PolarHBondContact O-N 3.28Å
536	K	90.5	Very high	88.3	Confident	46 Å²	46	43.6 Å²	43.6	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-42.1	174.8	-74.8	-178.8	175	179.4	0	111.9	L520 E529 L532 I533 D534 L539 R540	L520-K536 HydrophobicContact CD1-CG 4.3Å; E529-K536 IonicContact OE1-NZ 2.72Å; E529-K536 PolarHBondContact OE1-NZ 3.41Å; E529-K536 IonicContact OE2-NZ 3.71Å; E529-K536 PolarHBondContact OE2-NZ 3.01Å; L532-K536 PolarHBondContact O-N 3.24Å; I533-K536 PolarHBondContact O-N 3.37Å; D534-K536 VanDerWaalsContact C-N 3.35Å; D534-K536 PolarHBondContact O-N 3.44Å; K536-L539 PolarHBondContact O-N 3.49Å; K536-R540 PolarHBondContact O-N 3.43Å; K536-R540 VanDerWaalsContact O-N 3.09Å
537	V	92.6	Very high	89.2	Confident	19 Å²	19	44.3 Å²	44.3	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-44.6	176.4	175.8	0	0	0	0	110.1	I533 D534 L539 R540 D541 S592 F595	I533-V537 WeakPolarHBondContact O-CG2 3.3Å; I533-V537 PolarHBondContact O-N 2.82Å; D534-V537 PolarHBondContact O-N 3.48Å; V537-L539 VanDerWaalsContact C-N 3.32Å; V537-L539 PolarHBondContact O-N 3.46Å; V537-R540 CarbonylContact O-C 3.59Å; V537-R540 WeakPolarHBondContact O-CA 3.48Å; V537-R540 WeakPolarHBondContact O-CB 3.5Å; V537-R540 PolarHBondContact O-N 3.45Å; V537-D541 VanDerWaalsContact O-CG 3.29Å; V537-D541 PolarHBondContact O-N 2.85Å; V537-S592 VanDerWaalsContact CG1-OG 3.29Å; V537-S592 WeakPolarHBondContact CG1-OG 3.41Å; V537-F595 HydrophobicContact CB-CB 4.12Å; V537-F595 HydrophobicContact CB-CD1 4.21Å; V537-F595 HydrophobicContact CB-CD2 4.31Å; V537-F595 HydrophobicContact CB-CG 3.95Å; V537-F595 HydrophobicContact CG1-CB 3.93Å; V537-F595 HydrophobicContact CG1-CD1 4.47Å; V537-F595 HydrophobicContact CG1-CD2 3.7Å; V537-F595 HydrophobicContact CG1-CE2 4.34Å; V537-F595 HydrophobicContact CG1-CG 3.77Å; V537-F595 HydrophobicContact CG2-CD1 4.05Å; V537-F595 HydrophobicContact CG2-CD2 4.38Å; V537-F595 HydrophobicContact CG2-CE1 4.14Å; V537-F595 HydrophobicContact CG2-CE2 4.47Å; V537-F595 HydrophobicContact CG2-CG 4.17Å; V537-F595 HydrophobicContact CG2-CZ 4.34Å
538	R	92.1	Very high	89.7	Confident	9 Å²	9	44.1 Å²	44.1	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-42	175.3	-67.1	170.7	-165.8	164.9	0.1	112.9	R498 F501 D534 C535 R540 D541 V542 F595 W596	R498-R538 PolarHBondContact O-NH1 3.49Å; F501-R538 HydrophobicContact CE1-CB 4.35Å; D534-R538 WeakPolarHBondContact O-CG 3.46Å; D534-R538 PolarHBondContact O-N 2.92Å; C535-R538 PolarHBondContact O-N 2.61Å; R538-R540 VanDerWaalsContact C-N 3.34Å; R538-R540 PolarHBondContact O-N 3.21Å; R538-D541 WeakPolarHBondContact O-CB 2.97Å; R538-D541 PolarHBondContact O-N 3.12Å; R538-V542 VanDerWaalsContact O-CG2 3.3Å; R538-V542 WeakPolarHBondContact O-CG2 3.42Å; R538-V542 PolarHBondContact O-N 3.14Å; R538-F595 PolarHBondContact NE-O 2.93Å; R538-F595 PolarHBondContact NH2-O 2.97Å; R538-W596 HydrophobicContact CB-CH2 4.28Å; R538-W596 HydrophobicContact CB-CZ2 3.8Å; R538-W596 HydrophobicContact CG-CD2 3.88Å; R538-W596 HydrophobicContact CG-CE3 4.39Å; R538-W596 HydrophobicContact CG-CG 4.22Å; R538-W596 HydrophobicContact CG-CH2 4.39Å; R538-W596 HydrophobicContact CG-CZ2 3.87Å
539	L	91.8	Very high	90	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-39.8	174.1	-74.4	-172	0	0	0	112.6	F501 M505 T513 E516 L520 C535 K536 V537 D541 V542 R543	F501-L539 HydrophobicContact CE1-CD2 4.15Å; F501-L539 HydrophobicContact CE1-CG 4.14Å; F501-L539 HydrophobicContact CZ-CD1 4.21Å; F501-L539 HydrophobicContact CZ-CD2 3.68Å; F501-L539 HydrophobicContact CZ-CG 3.75Å; M505-L539 HydrophobicContact CE-CD2 4.06Å; M505-L539 HydrophobicContact SD-CD2 3.98Å; T513-L539 HydrophobicContact CG2-CD2 3.84Å; E516-L539 HydrophobicContact CB-CD2 3.94Å; L520-L539 HydrophobicContact CD1-CD1 3.44Å; L520-L539 VanDerWaalsContact CD1-CD1 3.44Å; L520-L539 HydrophobicContact CD1-CG 4.06Å; L520-L539 HydrophobicContact CG-CD1 4.33Å; C535-L539 PolarHBondContact O-N 3.28Å; K536-L539 PolarHBondContact O-N 3.49Å; V537-L539 VanDerWaalsContact C-N 3.32Å; V537-L539 PolarHBondContact O-N 3.46Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-V542 PolarHBondContact O-N 3.27Å; L539-R543 WeakPolarHBondContact O-CG 3.22Å; L539-R543 PolarHBondContact O-N 2.97Å
540	R	91.8	Very high	90.4	Very high	175 Å²	175	40.2 Å²	40.2	66%	0.66	20%	0.197	S	C	*	.	H	α-helix	trans	-64.2	-40	176.2	-171	-175.7	-67.1	156.4	-1.9	111.1	K536 V537 R538 R543 F544	K536-R540 PolarHBondContact O-N 3.43Å; K536-R540 VanDerWaalsContact O-N 3.09Å; V537-R540 CarbonylContact O-C 3.59Å; V537-R540 WeakPolarHBondContact O-CA 3.48Å; V537-R540 WeakPolarHBondContact O-CB 3.5Å; V537-R540 PolarHBondContact O-N 3.45Å; R538-R540 VanDerWaalsContact C-N 3.34Å; R538-R540 PolarHBondContact O-N 3.21Å; R540-R543 PolarHBondContact O-N 2.91Å; R540-F544 VanDerWaalsContact O-CB 3.31Å; R540-F544 WeakPolarHBondContact O-CB 3.47Å; R540-F544 PolarHBondContact O-N 2.95Å
541	D	93.3	Very high	90.6	Very high	22 Å²	22	36.9 Å²	36.9	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-45	176.2	-69	-9.4	0	0	0	111.2	V537 R538 L539 F544 S545 V590 S592 W596	V537-D541 VanDerWaalsContact O-CG 3.29Å; V537-D541 PolarHBondContact O-N 2.85Å; R538-D541 WeakPolarHBondContact O-CB 2.97Å; R538-D541 PolarHBondContact O-N 3.12Å; L539-D541 VanDerWaalsContact C-N 3.31Å; D541-F544 PolarHBondContact O-N 2.81Å; D541-S545 WeakPolarHBondContact O-CB 3.3Å; D541-S545 PolarHBondContact O-N 3.22Å; D541-S545 PolarHBondContact O-OG 3.39Å; D541-V590 WeakPolarHBondContact CB-O 3.39Å; D541-S592 VanDerWaalsContact OD2-CB 3.3Å; D541-S592 WeakPolarHBondContact OD2-CB 3.4Å; D541-S592 PolarHBondContact OD2-N 3.26Å; D541-S592 PolarHBondContact OD2-OG 3.39Å; D541-W596 HydrophobicContact CB-CZ2 4.25Å; D541-W596 PolarHBondContact OD2-NE1 3.43Å
542	V	92.4	Very high	90.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-45.2	175.4	175	0	0	0	0	111.4	M505 F511 T513 R538 L539 S545 G546 L589 W596	M505-V542 HydrophobicContact CB-CG2 4.28Å; M505-V542 HydrophobicContact CG-CG2 4.43Å; M505-V542 HydrophobicContact SD-CG2 3.87Å; F511-V542 HydrophobicContact CB-CG1 4.5Å; F511-V542 HydrophobicContact CD1-CG1 4.08Å; F511-V542 WeakPolarHBondContact CD1-O 3.28Å; T513-V542 HydrophobicContact CG2-CB 3.99Å; T513-V542 HydrophobicContact CG2-CG1 3.52Å; R538-V542 VanDerWaalsContact O-CG2 3.3Å; R538-V542 WeakPolarHBondContact O-CG2 3.42Å; R538-V542 PolarHBondContact O-N 3.14Å; L539-V542 PolarHBondContact O-N 3.27Å; V542-S545 WeakPolarHBondContact O-CB 3.42Å; V542-S545 PolarHBondContact O-N 3.02Å; V542-G546 PolarHBondContact O-N 2.97Å; V542-L589 HydrophobicContact CB-CD1 4.24Å; V542-L589 HydrophobicContact CG2-CD1 3.67Å; V542-W596 HydrophobicContact CG2-CH2 4.45Å
543	R	91.5	Very high	90.4	Very high	130 Å²	130	36.5 Å²	36.5	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-42.2	177.2	-72.4	-179.7	-173.1	174	2.4	112.2	T513 T517 L539 R540 S545 G546 G547	T513-R543 HydrophobicContact CG2-CG 4.33Å; T513-R543 WeakPolarHBondContact OG1-CG 3.36Å; T513-R543 PolarHBondContact OG1-NE 2.81Å; T517-R543 PolarHBondContact OG1-NH2 3.25Å; L539-R543 WeakPolarHBondContact O-CG 3.22Å; L539-R543 PolarHBondContact O-N 2.97Å; R540-R543 PolarHBondContact O-N 2.91Å; R543-S545 VanDerWaalsContact C-N 3.3Å; R543-S545 PolarHBondContact O-N 2.78Å; R543-G546 PolarHBondContact O-N 3.21Å; R543-G547 PolarHBondContact O-N 2.94Å
544	F	92.5	Very high	90.2	Very high	48 Å²	48	40.8 Å²	40.8	21%	0.211	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.2	172.3	-101.3	0	0	0	111	R540 D541 G546 G547 F548 V590 F621 Y624 R625	R540-F544 VanDerWaalsContact O-CB 3.31Å; R540-F544 WeakPolarHBondContact O-CB 3.47Å; R540-F544 PolarHBondContact O-N 2.95Å; D541-F544 PolarHBondContact O-N 2.81Å; F544-G546 VanDerWaalsContact C-N 3.34Å; F544-G546 PolarHBondContact O-N 3.46Å; F544-G547 PolarHBondContact O-N 3.06Å; F544-G547 VanDerWaalsContact O-N 3.1Å; F544-F548 PolarHBondContact O-N 3.37Å; F544-V590 HydrophobicContact CD1-CB 4.29Å; F544-V590 HydrophobicContact CD1-CG1 4.44Å; F544-V590 HydrophobicContact CE1-CB 4.25Å; F544-V590 HydrophobicContact CE1-CG1 4.13Å; F544-F621 AromaticContact CE1-CE2 3.92Å; F544-F621 HydrophobicContact CE1-CE2 3.92Å; F544-F621 HydrophobicContact CE1-CZ 4.39Å; F544-F621 HydrophobicContact CZ-CE2 4.1Å; F544-Y624 HydrophobicContact CE2-CD1 4.47Å; F544-Y624 AromaticContact CE2-CE1 3.67Å; F544-Y624 HydrophobicContact CE2-CE1 3.67Å; F544-Y624 HydrophobicContact CZ-CD1 4.16Å; F544-Y624 AromaticContact CZ-CE1 3.76Å; F544-Y624 HydrophobicContact CZ-CE1 3.76Å; F544-R625 VanDerWaalsContact CE2-NH2 3.26Å; F544-R625 HydrophobicContact CZ-CG 3.98Å
545	S	93.1	Very high	89.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-42.9	177.5	-59.3	0	0	0	0	112.1	D541 V542 R543 G547 F548 D549 C588 V590	D541-S545 WeakPolarHBondContact O-CB 3.3Å; D541-S545 PolarHBondContact O-N 3.22Å; D541-S545 PolarHBondContact O-OG 3.39Å; V542-S545 WeakPolarHBondContact O-CB 3.42Å; V542-S545 PolarHBondContact O-N 3.02Å; R543-S545 VanDerWaalsContact C-N 3.3Å; R543-S545 PolarHBondContact O-N 2.78Å; S545-G547 VanDerWaalsContact C-N 3.29Å; S545-G547 PolarHBondContact O-N 3.29Å; S545-F548 PolarHBondContact O-N 2.87Å; S545-D549 VanDerWaalsContact O-CB 3.27Å; S545-D549 WeakPolarHBondContact O-CB 3.32Å; S545-D549 PolarHBondContact O-N 2.78Å; S545-C588 WeakPolarHBondContact CB-O 3.35Å; S545-V590 PolarHBondContact OG-N 2.78Å; S545-V590 PolarHBondContact OG-O 3.05Å
546	G	91.3	Very high	88.9	Confident	12 Å²	12	46.3 Å²	46.3	12%	0.124	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-33.1	175.2	0	0	0	0	0	114	F511 V542 R543 F544 S550	F511-G546 VanDerWaalsContact CD2-CA 3.5Å; V542-G546 PolarHBondContact O-N 2.97Å; R543-G546 PolarHBondContact O-N 3.21Å; F544-G546 VanDerWaalsContact C-N 3.34Å; F544-G546 PolarHBondContact O-N 3.46Å; G546-S550 WeakPolarHBondContact O-CB 3.35Å; G546-S550 PolarHBondContact O-N 3.16Å; G546-S550 PolarHBondContact O-OG 3.2Å
547	G	90.8	Very high	88	Confident	35 Å²	35	46.4 Å²	46.4	36%	0.361	22%	0.224	S	C	.	.	H	α-helix	trans	-68.1	-43	172.3	0	0	0	0	0	112.7	R543 F544 S545 H551	R543-G547 PolarHBondContact O-N 2.94Å; F544-G547 PolarHBondContact O-N 3.06Å; F544-G547 VanDerWaalsContact O-N 3.1Å; S545-G547 VanDerWaalsContact C-N 3.29Å; S545-G547 PolarHBondContact O-N 3.29Å; G547-H551 PolarHBondContact O-N 3.43Å; G547-H551 VanDerWaalsContact O-N 3.16Å
548	F	90.9	Very high	86.7	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-44.5	175.9	174.2	-115	0	0	0	112.1	F544 S545 S550 H551 F552 V590 L617 T620 F621 Y624	F544-F548 PolarHBondContact O-N 3.37Å; S545-F548 PolarHBondContact O-N 2.87Å; F548-S550 VanDerWaalsContact C-N 3.34Å; F548-S550 PolarHBondContact O-N 3.27Å; F548-H551 CarbonylContact O-C 3.59Å; F548-H551 WeakPolarHBondContact O-CA 3.27Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 3Å; F548-F552 HydrophobicContact CZ-CB 4.42Å; F548-F552 PolarHBondContact O-N 2.95Å; F548-V590 HydrophobicContact CD1-CG2 4.25Å; F548-L617 HydrophobicContact CE1-CD2 4.34Å; F548-L617 HydrophobicContact CE1-CG 4.31Å; F548-L617 HydrophobicContact CZ-CG 4.45Å; F548-T620 HydrophobicContact CE2-CG2 4.44Å; F548-F621 HydrophobicContact CD1-CD2 4.16Å; F548-F621 AromaticContact CD2-CD2 3.96Å; F548-F621 HydrophobicContact CD2-CD2 3.96Å; F548-F621 HydrophobicContact CE1-CB 4.42Å; F548-F621 AromaticContact CE1-CD2 3.97Å; F548-F621 HydrophobicContact CE1-CD2 3.97Å; F548-F621 HydrophobicContact CE2-CB 3.93Å; F548-F621 AromaticContact CE2-CD2 3.76Å; F548-F621 HydrophobicContact CE2-CD2 3.76Å; F548-F621 HydrophobicContact CE2-CG 4.33Å; F548-F621 HydrophobicContact CG-CD2 4.16Å; F548-F621 HydrophobicContact CZ-CB 3.65Å; F548-F621 AromaticContact CZ-CD2 3.77Å; F548-F621 HydrophobicContact CZ-CD2 3.77Å; F548-F621 HydrophobicContact CZ-CG 4.22Å; F548-Y624 HydrophobicContact CB-CD1 4.41Å; F548-Y624 HydrophobicContact CB-CE1 4.15Å; F548-Y624 AromaticContact CD2-CD1 3.63Å; F548-Y624 HydrophobicContact CD2-CD1 3.63Å; F548-Y624 HydrophobicContact CD2-CE1 4.17Å; F548-Y624 AromaticContact CD2-CG 3.87Å; F548-Y624 HydrophobicContact CD2-CG 3.87Å; F548-Y624 HydrophobicContact CE2-CD1 4.42Å; F548-Y624 HydrophobicContact CE2-CG 4.37Å; F548-Y624 HydrophobicContact CG-CD1 4.4Å
549	D	89.5	Confident	85.4	Confident	15 Å²	15	53.5 Å²	53.5	8%	0.08	25%	0.25	C	C	.	.	H	α-helix	trans	-53	-50.4	175.4	-177.7	88.9	0	0	0	111.6	F511 S545 H551 F552 H553 R587	F511-D549 HydrophobicContact CE2-CB 3.69Å; F511-D549 HydrophobicContact CZ-CB 4.04Å; S545-D549 VanDerWaalsContact O-CB 3.27Å; S545-D549 WeakPolarHBondContact O-CB 3.32Å; S545-D549 PolarHBondContact O-N 2.78Å; D549-H551 VanDerWaalsContact C-N 3.26Å; D549-H551 PolarHBondContact O-N 3.13Å; D549-F552 PolarHBondContact O-N 2.88Å; D549-H553 PolarHBondContact O-CD2 2.61Å; D549-H553 PolarHBondContact O-N 2.73Å; D549-H553 IonicContact OD1-CD2 3.82Å; D549-H553 IonicContact OD1-NE2 3.56Å; D549-H553 IonicContact OD2-CD2 2.71Å; D549-H553 PolarHBondContact OD2-CD2 3.35Å; D549-H553 IonicContact OD2-NE2 3.49Å; D549-R587 WeakPolarHBondContact OD1-CA 3.26Å; D549-R587 WeakPolarHBondContact OD1-CG 3.19Å
550	S	88.7	Confident	83.9	Confident	62 Å²	62	55.8 Å²	55.8	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-33.5	176.2	-62.2	0	0	0	0	112.8	G546 F548 K554	G546-S550 WeakPolarHBondContact O-CB 3.35Å; G546-S550 PolarHBondContact O-N 3.16Å; G546-S550 PolarHBondContact O-OG 3.2Å; F548-S550 VanDerWaalsContact C-N 3.34Å; F548-S550 PolarHBondContact O-N 3.27Å; S550-K554 WeakPolarHBondContact O-CB 3.3Å; S550-K554 WeakPolarHBondContact O-CD 3.37Å; S550-K554 WeakPolarHBondContact O-CG 3.2Å; S550-K554 PolarHBondContact O-N 2.71Å
551	H	87.9	Confident	82.2	Confident	61 Å²	61	52 Å²	52	28%	0.282	26%	0.259	S	S	.	.	H	α-helix	trans	-73.8	-45.8	177.3	-178	81.7	0	0	0	111.9	G547 F548 D549 K554 Q555 Y624	G547-H551 PolarHBondContact O-N 3.43Å; G547-H551 VanDerWaalsContact O-N 3.16Å; F548-H551 CarbonylContact O-C 3.59Å; F548-H551 WeakPolarHBondContact O-CA 3.27Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 3Å; D549-H551 VanDerWaalsContact C-N 3.26Å; D549-H551 PolarHBondContact O-N 3.13Å; H551-K554 PolarHBondContact O-N 2.6Å; H551-Q555 PolarHBondContact O-N 3.43Å; H551-Q555 VanDerWaalsContact O-N 3.1Å; H551-Y624 HydrophobicContact CB-CD2 4.27Å; H551-Y624 HydrophobicContact CB-CE2 4.04Å; H551-Y624 AromaticContact CD2-CD2 3.47Å; H551-Y624 VanDerWaalsContact CD2-CD2 3.47Å; H551-Y624 WeakPolarHBondContact CD2-CD2 3.31Å; H551-Y624 AromaticContact CG-CD2 3.7Å; H551-Y624 AromaticContact CG-CE2 3.8Å; H551-Y624 AromaticContact NE2-CD2 3.76Å
552	F	87.1	Confident	80.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-51	177.6	175.9	-99.3	0	0	0	110.7	F548 D549 K554 Q555 E556 W586 L617 T620	F548-F552 HydrophobicContact CZ-CB 4.42Å; F548-F552 PolarHBondContact O-N 2.95Å; D549-F552 PolarHBondContact O-N 2.88Å; F552-K554 VanDerWaalsContact C-N 3.3Å; F552-K554 PolarHBondContact O-N 3.39Å; F552-Q555 PolarHBondContact O-N 3.15Å; F552-E556 HydrophobicContact CD2-CG 4.22Å; F552-E556 HydrophobicContact CE1-CG 4.47Å; F552-E556 HydrophobicContact CE2-CG 3.71Å; F552-E556 HydrophobicContact CZ-CB 4.34Å; F552-E556 HydrophobicContact CZ-CG 3.85Å; F552-E556 PolarHBondContact O-N 2.84Å; F552-W586 HydrophobicContact CE1-CB 4.13Å; F552-L617 HydrophobicContact CE2-CB 4.08Å; F552-L617 HydrophobicContact CE2-CG 4.38Å; F552-L617 HydrophobicContact CZ-CB 4.39Å; F552-L617 HydrophobicContact CZ-CD1 4.49Å; F552-T620 HydrophobicContact CD2-CG2 3.77Å
553	H	84.2	Confident	78	Confident	38 Å²	38	62.2 Å²	62.2	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-32.5	178.9	-72.4	-51.9	0	0	0	113.3	D549 D557 Y583 W586	D549-H553 PolarHBondContact O-CD2 2.61Å; D549-H553 PolarHBondContact O-N 2.73Å; D549-H553 IonicContact OD1-CD2 3.82Å; D549-H553 IonicContact OD1-NE2 3.56Å; D549-H553 IonicContact OD2-CD2 2.71Å; D549-H553 PolarHBondContact OD2-CD2 3.35Å; D549-H553 IonicContact OD2-NE2 3.49Å; H553-D557 VanDerWaalsContact O-CB 3.29Å; H553-D557 WeakPolarHBondContact O-CB 3.24Å; H553-D557 PolarHBondContact O-N 3.23Å; H553-Y583 AromaticContact ND1-CZ 3.97Å; H553-Y583 PolarHBondContact ND1-OH 2.59Å; H553-W586 PolarHBondContact CE1-O 3.28Å; H553-W586 PolarHBondContact NE2-O 3.02Å; H553-W586 VanDerWaalsContact NE2-O 3.12Å
554	K	82.7	Confident	75.7	Confident	156 Å²	156	61.3 Å²	61.3	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-68.7	-38	175	-77.6	173.5	-174.8	-178.9	0	112.9	S550 H551 F552 S560	S550-K554 WeakPolarHBondContact O-CB 3.3Å; S550-K554 WeakPolarHBondContact O-CD 3.37Å; S550-K554 WeakPolarHBondContact O-CG 3.2Å; S550-K554 PolarHBondContact O-N 2.71Å; H551-K554 PolarHBondContact O-N 2.6Å; F552-K554 VanDerWaalsContact C-N 3.3Å; F552-K554 PolarHBondContact O-N 3.39Å; K554-S560 PolarHBondContact O-OG 3.24Å
555	Q	79.5	Confident	73.4	Confident	94 Å²	94	63.2 Å²	63.2	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-74.7	-41.4	178.5	-92.3	-166.9	-2.3	0	0	112.9	H551 F552	H551-Q555 PolarHBondContact O-N 3.43Å; H551-Q555 VanDerWaalsContact O-N 3.1Å; F552-Q555 PolarHBondContact O-N 3.15Å
556	E	73.4	Confident	70.8	Confident	36 Å²	36	69 Å²	69	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-91.4	-4.2	-174.7	-70	-114.8	170.5	0	0	113.5	F552 P558 Y583 R616	F552-E556 HydrophobicContact CD2-CG 4.22Å; F552-E556 HydrophobicContact CE1-CG 4.47Å; F552-E556 HydrophobicContact CE2-CG 3.71Å; F552-E556 HydrophobicContact CZ-CB 4.34Å; F552-E556 HydrophobicContact CZ-CG 3.85Å; F552-E556 PolarHBondContact O-N 2.84Å; E556-P558 WeakPolarHBondContact O-CD 3.26Å; E556-P558 VanDerWaalsContact O-N 3.09Å; E556-Y583 HydrophobicContact CB-CD2 4.08Å; E556-Y583 HydrophobicContact CB-CE2 3.67Å; E556-Y583 VanDerWaalsContact O-CD2 3.24Å; E556-Y583 WeakPolarHBondContact O-CD2 3.37Å; E556-Y583 VanDerWaalsContact O-CE2 3.29Å; E556-Y583 WeakPolarHBondContact O-CE2 3.26Å; E556-R616 IonicContact OE2-CZ 3.06Å; E556-R616 IonicContact OE2-NH1 3.68Å; E556-R616 PolarHBondContact OE2-NH1 2.9Å
557	D	71.5	Confident	68.2	Low	47 Å²	47	70.7 Å²	70.7	25%	0.251	40%	0.396	S	S	.	.			trans	-55	118.5	175.6	-171	-16.9	0	0	0	109.4	H553 R559 S560	H553-D557 VanDerWaalsContact O-CB 3.29Å; H553-D557 WeakPolarHBondContact O-CB 3.24Å; H553-D557 PolarHBondContact O-N 3.23Å; D557-R559 PolarHBondContact O-N 2.97Å; D557-R559 WeakPolarHBondContact OD1-CB 3.29Å; D557-R559 WeakPolarHBondContact OD1-CG 3.4Å; D557-R559 PolarHBondContact OD1-N 3.06Å; D557-S560 WeakPolarHBondContact O-CB 3.37Å; D557-S560 PolarHBondContact O-N 2.9Å
558	P	65	Low	65.7	Low	7 Å²	7	78.6 Å²	78.6	5%	0.045	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.3	178.1	-26.2	34.7	0	0	0	113.3	E556 F580 Y583	E556-P558 WeakPolarHBondContact O-CD 3.26Å; E556-P558 VanDerWaalsContact O-N 3.09Å; P558-F580 HydrophobicContact CB-CD2 3.93Å; P558-F580 HydrophobicContact CG-CD2 3.86Å; P558-Y583 HydrophobicContact CG-CD1 4.09Å; P558-Y583 HydrophobicContact CG-CD2 4.33Å; P558-Y583 HydrophobicContact CG-CG 3.82Å
559	R	65.4	Low	63.2	Low	171 Å²	171	85 Å²	85	65%	0.645	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.2	177.3	-54.1	176.1	-155.8	174.2	6.9	113.4	D557 T562	D557-R559 PolarHBondContact O-N 2.97Å; D557-R559 WeakPolarHBondContact OD1-CB 3.29Å; D557-R559 WeakPolarHBondContact OD1-CG 3.4Å; D557-R559 PolarHBondContact OD1-N 3.06Å; R559-T562 PolarHBondContact O-OG1 3.48Å
560	S	60.1	Low	61	Low	57 Å²	57	89.6 Å²	89.6	40%	0.399	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-30.1	175.9	-60.1	0	0	0	0	111.1	K554 D557 T562 H563	K554-S560 PolarHBondContact O-OG 3.24Å; D557-S560 WeakPolarHBondContact O-CB 3.37Å; D557-S560 PolarHBondContact O-N 2.9Å; S560-T562 VanDerWaalsContact C-N 3.26Å; S560-T562 PolarHBondContact O-N 3.13Å; S560-H563 PolarHBondContact O-N 3.08Å
561	L	54.5	Low	58.9	Low	96 Å²	96	95.2 Å²	95.2	50%	0.503	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21.5	175.7	-70.1	165.8	0	0	0	113.2	H563	L561-H563 VanDerWaalsContact C-N 3.31Å; L561-H563 PolarHBondContact O-N 3.2Å
562	T	52.2	Low	56.8	Low	73 Å²	73	98.9 Å²	98.9	45%	0.448	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-74.1	-16.9	178.1	42.6	0	0	0	0	114.2	R559 S560 C564 W576	R559-T562 PolarHBondContact O-OG1 3.48Å; S560-T562 VanDerWaalsContact C-N 3.26Å; S560-T562 PolarHBondContact O-N 3.13Å; T562-C564 VanDerWaalsContact C-N 3.34Å; T562-C564 PolarHBondContact O-N 3.34Å; T562-W576 HydrophobicContact CG2-CE3 3.69Å; T562-W576 HydrophobicContact CG2-CZ3 3.88Å
563	H	46	Very low	55.1	Low	165 Å²	165	107.1 Å²	107.1	76%	0.764	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-82	-7.3	-179.9	-96.9	-70.6	0	0	0	114.7	S560 L561 V565	S560-H563 PolarHBondContact O-N 3.08Å; L561-H563 VanDerWaalsContact C-N 3.31Å; L561-H563 PolarHBondContact O-N 3.2Å; H563-V565 VanDerWaalsContact C-N 3.34Å
564	C	44.4	Very low	53.6	Low	112 Å²	112	109.3 Å²	109.3	76%	0.757	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-88.3	0.8	175.3	-56.7	0	0	0	0	113.6	T562	T562-C564 VanDerWaalsContact C-N 3.34Å; T562-C564 PolarHBondContact O-N 3.34Å
565	V	43.6	Very low	52.1	Low	88 Å²	88	106.4 Å²	106.4	53%	0.533	56%	0.563	S	S	.	*			trans	-112.1	60.2	176.5	-165.4	0	0	0	0	109.7	H563 G567	H563-V565 VanDerWaalsContact C-N 3.34Å; V565-G567 PolarHBondContact O-N 2.77Å
566	S	37.2	Very low	50.9	Low	120 Å²	120	107.4 Å²	107.4	84%	0.839	56%	0.563	S	S	*	*			trans	-84.3	86	157.9	57.7	0	0	0	0	108
567	G	36.7	Very low	50.2	Low	49 Å²	49	110.1 Å²	110.1	51%	0.505	58%	0.578	S	S	.	*	S	Bend	trans	158.1	99	177.1	0	0	0	0	0	112.3	V565 L569	V565-G567 PolarHBondContact O-N 2.77Å; G567-L569 PolarHBondContact O-N 3.05Å
568	E	38.9	Very low	49.5	Very low	201 Å²	201	112.5 Å²	112.5	94%	0.939	59%	0.591	S	S	*	*	S	Bend	trans	29.4	52.4	153.3	-63.2	-177.5	156.3	0	0	118.9
569	L	39	Very low	49.1	Very low	135 Å²	135	114.8 Å²	114.8	71%	0.707	61%	0.607	S	S	*	*			trans	-151.4	50.4	168.8	-98.6	165.4	0	0	0	111.4	G567 Q571	G567-L569 PolarHBondContact O-N 3.05Å; L569-Q571 PolarHBondContact O-N 2.64Å
570	V	43.9	Very low	48.9	Very low	112 Å²	112	111.5 Å²	111.5	68%	0.679	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	41.5	178.2	-170.2	0	0	0	0	112	Y573	V570-Y573 WeakPolarHBondContact O-CE2 3.07Å
571	Q	44.4	Very low	49.1	Very low	179 Å²	179	114.7 Å²	114.7	84%	0.836	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	4.2	177.1	-78.7	-170.7	-1.2	0	0	115.4	L569 Y573	L569-Q571 PolarHBondContact O-N 2.64Å; Q571-Y573 VanDerWaalsContact C-N 3.31Å; Q571-Y573 PolarHBondContact O-N 3.15Å
572	Q	44.3	Very low	49.5	Very low	138 Å²	138	115 Å²	115	65%	0.645	61%	0.608	S	S	*	*			trans	-91.4	64.1	168.8	-97.4	179.3	-9.1	0	0	112.3	P574 L575	Q572-P574 VanDerWaalsContact C-N 3.28Å; Q572-P574 WeakPolarHBondContact O-CD 3.41Å; Q572-L575 HydrophobicContact CB-CD1 4.22Å; Q572-L575 VanDerWaalsContact CD-CD1 3.49Å; Q572-L575 HydrophobicContact CG-CD1 4.13Å; Q572-L575 VanDerWaalsContact OE1-CD1 3.23Å
573	Y	49.3	Very low	50.3	Low	175 Å²	175	114 Å²	114	69%	0.686	60%	0.597	S	S	*	*	H	α-helix	trans	-60	-12.4	169.6	-84.4	-93.1	0	0	0	116.9	V570 Q571	V570-Y573 WeakPolarHBondContact O-CE2 3.07Å; Q571-Y573 VanDerWaalsContact C-N 3.31Å; Q571-Y573 PolarHBondContact O-N 3.15Å
574	P	53.8	Low	51.7	Low	84 Å²	84	109.2 Å²	109.2	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-84	-27.4	175	-9.5	25.9	0	0	0	115.2	Q572 N578	Q572-P574 VanDerWaalsContact C-N 3.28Å; Q572-P574 WeakPolarHBondContact O-CD 3.41Å; P574-N578 WeakPolarHBondContact O-CB 3.24Å; P574-N578 PolarHBondContact O-N 2.77Å; P574-N578 VanDerWaalsContact O-N 3.13Å
575	L	51	Low	53.3	Low	95 Å²	95	108.6 Å²	108.6	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-79.1	-42.3	-168.6	-89	149.5	0	0	0	113.1	Q572 L577 N578 C579	Q572-L575 HydrophobicContact CB-CD1 4.22Å; Q572-L575 VanDerWaalsContact CD-CD1 3.49Å; Q572-L575 HydrophobicContact CG-CD1 4.13Å; Q572-L575 VanDerWaalsContact OE1-CD1 3.23Å; L575-L577 VanDerWaalsContact C-N 3.29Å; L575-L577 PolarHBondContact O-N 3.03Å; L575-N578 PolarHBondContact O-N 3.24Å; L575-C579 WeakPolarHBondContact O-CB 2.95Å; L575-C579 PolarHBondContact O-N 2.97Å
576	W	54.9	Low	55.1	Low	115 Å²	115	107.1 Å²	107.1	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-58	-43.3	172.5	141.1	-76.3	0	0	0	111.1	T562 C579 F580	T562-W576 HydrophobicContact CG2-CE3 3.69Å; T562-W576 HydrophobicContact CG2-CZ3 3.88Å; W576-C579 PolarHBondContact O-N 3.37Å; W576-F580 WeakPolarHBondContact O-CB 3.38Å; W576-F580 PolarHBondContact O-N 2.96Å
577	L	57.3	Low	57.3	Low	93 Å²	93	109.1 Å²	109.1	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-71.5	-39.3	-175	-162.3	75	0	0	0	110.3	L575 F580 L581	L575-L577 VanDerWaalsContact C-N 3.29Å; L575-L577 PolarHBondContact O-N 3.03Å; L577-F580 PolarHBondContact O-N 3.29Å; L577-L581 HydrophobicContact CD2-CD1 4.42Å; L577-L581 HydrophobicContact CG-CD1 4.06Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CD1 3.42Å; L577-L581 WeakPolarHBondContact O-CG 3.44Å; L577-L581 PolarHBondContact O-N 2.67Å
578	N	58.5	Low	59.7	Low	98 Å²	98	107.9 Å²	107.9	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-43	172.1	-90.6	-12.8	0	0	0	112.4	P574 L575 L581 Q582	P574-N578 WeakPolarHBondContact O-CB 3.24Å; P574-N578 PolarHBondContact O-N 2.77Å; P574-N578 VanDerWaalsContact O-N 3.13Å; L575-N578 PolarHBondContact O-N 3.24Å; N578-L581 PolarHBondContact O-N 3.43Å; N578-Q582 WeakPolarHBondContact O-CB 3.31Å; N578-Q582 WeakPolarHBondContact O-CG 3.18Å; N578-Q582 PolarHBondContact O-N 2.89Å
579	C	56.8	Low	62.1	Low	55 Å²	55	100.7 Å²	100.7	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174.1	-84	0	0	0	0	112	L575 W576 Q582 Y583	L575-C579 WeakPolarHBondContact O-CB 2.95Å; L575-C579 PolarHBondContact O-N 2.97Å; W576-C579 PolarHBondContact O-N 3.37Å; C579-Q582 CarbonylContact O-C 3.56Å; C579-Q582 PolarHBondContact O-N 2.91Å; C579-Y583 WeakPolarHBondContact O-CB 3.1Å; C579-Y583 PolarHBondContact O-N 2.9Å
580	F	61.1	Low	64.6	Low	102 Å²	102	95.2 Å²	95.2	45%	0.447	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-42	177.7	-168.4	-93	0	0	0	111.9	P558 W576 L577 Q582 Y583	P558-F580 HydrophobicContact CB-CD2 3.93Å; P558-F580 HydrophobicContact CG-CD2 3.86Å; W576-F580 WeakPolarHBondContact O-CB 3.38Å; W576-F580 PolarHBondContact O-N 2.96Å; L577-F580 PolarHBondContact O-N 3.29Å; F580-Q582 VanDerWaalsContact C-N 3.27Å; F580-Q582 PolarHBondContact O-N 3.39Å; F580-Y583 PolarHBondContact O-N 2.94Å
581	L	62.9	Low	66.7	Low	123 Å²	123	91.9 Å²	91.9	64%	0.644	45%	0.447	S	S	*	.	H	α-helix	trans	-69.6	-23.6	176	-72.2	167.2	0	0	0	113	L577 N578	L577-L581 HydrophobicContact CD2-CD1 4.42Å; L577-L581 HydrophobicContact CG-CD1 4.06Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CD1 3.42Å; L577-L581 WeakPolarHBondContact O-CG 3.44Å; L577-L581 PolarHBondContact O-N 2.67Å; N578-L581 PolarHBondContact O-N 3.43Å
582	Q	63.3	Low	68.9	Low	103 Å²	103	84.7 Å²	84.7	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-90.1	-15.1	172.7	-81.3	-179.8	-16.7	0	0	113.4	N578 C579 F580 M584 R616	N578-Q582 WeakPolarHBondContact O-CB 3.31Å; N578-Q582 WeakPolarHBondContact O-CG 3.18Å; N578-Q582 PolarHBondContact O-N 2.89Å; C579-Q582 CarbonylContact O-C 3.56Å; C579-Q582 PolarHBondContact O-N 2.91Å; F580-Q582 VanDerWaalsContact C-N 3.27Å; F580-Q582 PolarHBondContact O-N 3.39Å; Q582-M584 PolarHBondContact O-N 3.5Å; Q582-M584 VanDerWaalsContact O-N 3.14Å; Q582-R616 PolarHBondContact O-NH2 3.23Å
583	Y	69.1	Low	70.8	Confident	52 Å²	52	84.7 Å²	84.7	20%	0.204	42%	0.416	C	S	.	.			trans	-73.2	107.8	179.8	-179.8	-106.4	0	0	0	109.9	H553 E556 P558 C579 F580	H553-Y583 AromaticContact ND1-CZ 3.97Å; H553-Y583 PolarHBondContact ND1-OH 2.59Å; E556-Y583 HydrophobicContact CB-CD2 4.08Å; E556-Y583 HydrophobicContact CB-CE2 3.67Å; E556-Y583 VanDerWaalsContact O-CD2 3.24Å; E556-Y583 WeakPolarHBondContact O-CD2 3.37Å; E556-Y583 VanDerWaalsContact O-CE2 3.29Å; E556-Y583 WeakPolarHBondContact O-CE2 3.26Å; P558-Y583 HydrophobicContact CG-CD1 4.09Å; P558-Y583 HydrophobicContact CG-CD2 4.33Å; P558-Y583 HydrophobicContact CG-CG 3.82Å; C579-Y583 WeakPolarHBondContact O-CB 3.1Å; C579-Y583 PolarHBondContact O-N 2.9Å; F580-Y583 PolarHBondContact O-N 2.94Å
584	M	74.9	Confident	72.5	Confident	65 Å²	65	81.9 Å²	81.9	32%	0.32	41%	0.413	S	S	.	.			trans	-105.5	122.9	170.8	-81	-171.7	161.3	0	0	108.9	Q582 W586 F610	Q582-M584 PolarHBondContact O-N 3.5Å; Q582-M584 VanDerWaalsContact O-N 3.14Å; M584-W586 PolarHBondContact O-N 2.66Å; M584-W586 VanDerWaalsContact O-N 3.14Å; M584-F610 HydrophobicContact CE-CD1 4.3Å; M584-F610 HydrophobicContact CE-CE1 3.91Å; M584-F610 HydrophobicContact SD-CD1 3.88Å; M584-F610 HydrophobicContact SD-CE1 4Å
585	P	78.5	Confident	74	Confident	98 Å²	98	80.4 Å²	80.4	64%	0.636	40%	0.398	S	S	*	.			trans	-69.2	113.7	175.1	27	-31.2	0	0	0	109.5
586	W	81.1	Confident	75.8	Confident	58 Å²	58	76.6 Å²	76.6	22%	0.22	38%	0.377	C	S	.	.			trans	-98.6	131.4	175.3	-74.3	93	0	0	0	111.3	F552 H553 M584 F610 S613 L614 L617	F552-W586 HydrophobicContact CE1-CB 4.13Å; H553-W586 PolarHBondContact CE1-O 3.28Å; H553-W586 PolarHBondContact NE2-O 3.02Å; H553-W586 VanDerWaalsContact NE2-O 3.12Å; M584-W586 PolarHBondContact O-N 2.66Å; M584-W586 VanDerWaalsContact O-N 3.14Å; W586-F610 HydrophobicContact CH2-CB 4.46Å; W586-S613 VanDerWaalsContact NE1-CB 3.31Å; W586-S613 PolarHBondContact NE1-OG 3.08Å; W586-L614 HydrophobicContact CH2-CD1 4.07Å; W586-L614 HydrophobicContact CH2-CD2 4.43Å; W586-L614 HydrophobicContact CH2-CG 3.9Å; W586-L614 HydrophobicContact CZ2-CG 4.05Å; W586-L614 HydrophobicContact CZ3-CD2 4.42Å; W586-L614 HydrophobicContact CZ3-CG 4.37Å; W586-L617 HydrophobicContact CB-CD1 3.45Å; W586-L617 VanDerWaalsContact CB-CD1 3.45Å; W586-L617 HydrophobicContact CD2-CD1 4.44Å; W586-L617 HydrophobicContact CG-CD1 3.81Å
587	R	83.4	Confident	77	Confident	162 Å²	162	72.9 Å²	72.9	61%	0.611	37%	0.368	S	S	*	.			trans	-104	112.7	158.2	-66	-164.5	170.1	166.7	4.5	109	T509 F511 D549	T509-R587 PolarHBondContact O-NH1 3.27Å; F511-R587 HydrophobicContact CZ-CB 4.45Å; D549-R587 WeakPolarHBondContact OD1-CA 3.26Å; D549-R587 WeakPolarHBondContact OD1-CG 3.19Å
588	C	87.2	Confident	78	Confident	23 Å²	23	74.6 Å²	74.6	16%	0.155	39%	0.385	C	S	.	.			trans	-110	119.5	-179.7	-178.2	0	0	0	0	109.8	S545 L617	S545-C588 WeakPolarHBondContact CB-O 3.35Å; C588-L617 HydrophobicContact CB-CD1 3.87Å; C588-L617 HydrophobicContact CB-CD2 4.17Å
589	L	89.1	Confident	78.9	Confident	50 Å²	50	71.3 Å²	71.3	26%	0.262	37%	0.367	S	S	.	.			trans	-86.6	109.6	167.9	-179	68	0	0	0	108.4	L506 V542 T591 W596	L506-L589 HydrophobicContact CD2-CD2 3.93Å; V542-L589 HydrophobicContact CB-CD1 4.24Å; V542-L589 HydrophobicContact CG2-CD1 3.67Å; L589-T591 HydrophobicContact CD2-CG2 3.97Å; L589-T591 HydrophobicContact CG-CG2 3.87Å; L589-W596 HydrophobicContact CD2-CH2 3.89Å; L589-W596 HydrophobicContact CD2-CZ2 4.48Å; L589-W596 HydrophobicContact CD2-CZ3 4.43Å
590	V	90.7	Very high	79.5	Confident	20 Å²	20	74.8 Å²	74.8	12%	0.121	38%	0.382	C	S	.	.			trans	-88.8	109.4	175.6	-177	0	0	0	0	108.3	D541 F544 S545 F548 F621 L630	D541-V590 WeakPolarHBondContact CB-O 3.39Å; F544-V590 HydrophobicContact CD1-CB 4.29Å; F544-V590 HydrophobicContact CD1-CG1 4.44Å; F544-V590 HydrophobicContact CE1-CB 4.25Å; F544-V590 HydrophobicContact CE1-CG1 4.13Å; S545-V590 PolarHBondContact OG-N 2.78Å; S545-V590 PolarHBondContact OG-O 3.05Å; F548-V590 HydrophobicContact CD1-CG2 4.25Å; V590-F621 HydrophobicContact CG1-CE2 4.12Å; V590-F621 HydrophobicContact CG1-CZ 4.14Å; V590-F621 HydrophobicContact CG2-CD2 4.44Å; V590-F621 HydrophobicContact CG2-CE2 4.01Å; V590-L630 HydrophobicContact CG1-CD2 3.87Å; V590-L630 HydrophobicContact CG2-CD2 4.14Å
591	T	89.9	Confident	79.8	Confident	42 Å²	42	75.8 Å²	75.8	26%	0.258	39%	0.388	S	S	.	.			trans	-101.1	152.9	-177.4	58.4	0	0	0	0	111.7	L589 W596	L589-T591 HydrophobicContact CD2-CG2 3.97Å; L589-T591 HydrophobicContact CG-CG2 3.87Å; T591-W596 HydrophobicContact CG2-CD2 3.71Å; T591-W596 VanDerWaalsContact CG2-CE2 3.43Å; T591-W596 HydrophobicContact CG2-CE3 4.15Å; T591-W596 HydrophobicContact CG2-CG 4.26Å; T591-W596 HydrophobicContact CG2-CH2 4.05Å; T591-W596 HydrophobicContact CG2-CZ2 3.62Å; T591-W596 HydrophobicContact CG2-CZ3 4.32Å
592	S	88.8	Confident	80.2	Confident	28 Å²	28	72.1 Å²	72.1	20%	0.196	37%	0.368	C	S	.	.			trans	-85.5	122.4	168	52	0	0	0	0	110.4	V537 D541 D594 F595 W596	V537-S592 VanDerWaalsContact CG1-OG 3.29Å; V537-S592 WeakPolarHBondContact CG1-OG 3.41Å; D541-S592 VanDerWaalsContact OD2-CB 3.3Å; D541-S592 WeakPolarHBondContact OD2-CB 3.4Å; D541-S592 PolarHBondContact OD2-N 3.26Å; D541-S592 PolarHBondContact OD2-OG 3.39Å; S592-D594 VanDerWaalsContact C-N 3.34Å; S592-D594 PolarHBondContact O-N 3.27Å; S592-F595 PolarHBondContact O-N 3.35Å; S592-W596 PolarHBondContact O-N 3.46Å
593	H	85.3	Confident	80.6	Confident	137 Å²	137	74.6 Å²	74.6	63%	0.634	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-52.1	-48.2	-173.9	177.7	-87.4	0	0	0	113.6	F595	H593-F595 PolarHBondContact O-N 3.29Å
594	D	84.4	Confident	81.4	Confident	116 Å²	116	73 Å²	73	62%	0.62	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-78.5	-19.5	-170.3	-60.5	-23.1	0	0	0	115	S592	S592-D594 VanDerWaalsContact C-N 3.34Å; S592-D594 PolarHBondContact O-N 3.27Å
595	F	86.7	Confident	81.8	Confident	53 Å²	53	74.2 Å²	74.2	23%	0.232	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-100.4	-8.2	-175.4	-65.1	-82.7	0	0	0	112.9	D534 V537 R538 S592 H593	D534-F595 WeakPolarHBondContact OD1-CD1 3.42Å; V537-F595 HydrophobicContact CB-CB 4.12Å; V537-F595 HydrophobicContact CB-CD1 4.21Å; V537-F595 HydrophobicContact CB-CD2 4.31Å; V537-F595 HydrophobicContact CB-CG 3.95Å; V537-F595 HydrophobicContact CG1-CB 3.93Å; V537-F595 HydrophobicContact CG1-CD1 4.47Å; V537-F595 HydrophobicContact CG1-CD2 3.7Å; V537-F595 HydrophobicContact CG1-CE2 4.34Å; V537-F595 HydrophobicContact CG1-CG 3.77Å; V537-F595 HydrophobicContact CG2-CD1 4.05Å; V537-F595 HydrophobicContact CG2-CD2 4.38Å; V537-F595 HydrophobicContact CG2-CE1 4.14Å; V537-F595 HydrophobicContact CG2-CE2 4.47Å; V537-F595 HydrophobicContact CG2-CG 4.17Å; V537-F595 HydrophobicContact CG2-CZ 4.34Å; R538-F595 PolarHBondContact NE-O 2.93Å; R538-F595 PolarHBondContact NH2-O 2.97Å; S592-F595 PolarHBondContact O-N 3.35Å; H593-F595 PolarHBondContact O-N 3.29Å
596	W	87.7	Confident	82.1	Confident	15 Å²	15	70.6 Å²	70.6	6%	0.057	35%	0.353	C	S	.	.	S	Bend	trans	-96.7	151.9	175.2	-70.8	67.6	0	0	0	109.8	A502 M505 L506 R538 D541 V542 L589 T591 S592	A502-W596 HydrophobicContact CB-CE3 4.32Å; M505-W596 HydrophobicContact CB-CH2 3.61Å; M505-W596 HydrophobicContact CB-CZ3 3.91Å; L506-W596 HydrophobicContact CD2-CE3 3.75Å; L506-W596 HydrophobicContact CD2-CH2 4.28Å; L506-W596 HydrophobicContact CD2-CZ3 3.46Å; L506-W596 VanDerWaalsContact CD2-CZ3 3.46Å; L506-W596 HydrophobicContact CG-CE3 4.1Å; L506-W596 HydrophobicContact CG-CZ3 3.68Å; R538-W596 HydrophobicContact CB-CH2 4.28Å; R538-W596 HydrophobicContact CB-CZ2 3.8Å; R538-W596 HydrophobicContact CG-CD2 3.88Å; R538-W596 HydrophobicContact CG-CE3 4.39Å; R538-W596 HydrophobicContact CG-CG 4.22Å; R538-W596 HydrophobicContact CG-CH2 4.39Å; R538-W596 HydrophobicContact CG-CZ2 3.87Å; D541-W596 HydrophobicContact CB-CZ2 4.25Å; D541-W596 PolarHBondContact OD2-NE1 3.43Å; V542-W596 HydrophobicContact CG2-CH2 4.45Å; L589-W596 HydrophobicContact CD2-CH2 3.89Å; L589-W596 HydrophobicContact CD2-CZ2 4.48Å; L589-W596 HydrophobicContact CD2-CZ3 4.43Å; T591-W596 HydrophobicContact CG2-CD2 3.71Å; T591-W596 VanDerWaalsContact CG2-CE2 3.43Å; T591-W596 HydrophobicContact CG2-CE3 4.15Å; T591-W596 HydrophobicContact CG2-CG 4.26Å; T591-W596 HydrophobicContact CG2-CH2 4.05Å; T591-W596 HydrophobicContact CG2-CZ2 3.62Å; T591-W596 HydrophobicContact CG2-CZ3 4.32Å; S592-W596 PolarHBondContact O-N 3.46Å
597	P	81.2	Confident	82.3	Confident	38 Å²	38	68.2 Å²	68.2	25%	0.247	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-58	151.2	171.7	-16	29.4	0	0	0	109.7	A502 L599	A502-P597 VanDerWaalsContact CB-CD 3.42Å; A502-P597 HydrophobicContact CB-CG 3.38Å; P597-L599 PolarHBondContact O-N 3.16Å
598	P	78	Confident	82.3	Confident	129 Å²	129	69.9 Å²	69.9	84%	0.838	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-54.7	120.3	172.3	24.3	-32.6	0	0	0	108.5
599	L	76.6	Confident	82	Confident	28 Å²	28	77.9 Å²	77.9	15%	0.147	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-87.6	130.5	178.4	-63.1	179.4	0	0	0	107.5	L506 P597 E601 Y633 W636	L506-L599 HydrophobicContact CD1-CD2 3.55Å; L506-L599 HydrophobicContact CD2-CD2 4.5Å; P597-L599 PolarHBondContact O-N 3.16Å; L599-E601 PolarHBondContact O-N 2.88Å; L599-E601 VanDerWaalsContact O-N 3.1Å; L599-Y633 HydrophobicContact CB-CD1 4.3Å; L599-Y633 HydrophobicContact CD1-CD1 4.47Å; L599-Y633 HydrophobicContact CD1-CG 4.42Å; L599-W636 HydrophobicContact CD2-CD2 4.09Å; L599-W636 HydrophobicContact CD2-CE3 4.48Å; L599-W636 HydrophobicContact CD2-CH2 4.35Å; L599-W636 HydrophobicContact CD2-CZ2 3.96Å
600	D	69.9	Low	81.8	Confident	128 Å²	128	76.5 Å²	76.5	68%	0.684	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-61	118.7	178.3	-66.7	-38	0	0	0	109.9	E602 W636	D600-E602 VanDerWaalsContact C-N 3.29Å; D600-E602 PolarHBondContact O-N 3.35Å; D600-W636 PolarHBondContact O-NE1 3.12Å
601	E	67.6	Low	81.6	Confident	124 Å²	124	79.1 Å²	79.1	58%	0.579	38%	0.38	S	S	*	.			trans	-81.8	73.8	178.1	-70.9	-178.8	-160.8	0	0	110.1	L599 Q603 Y633	L599-E601 PolarHBondContact O-N 2.88Å; L599-E601 VanDerWaalsContact O-N 3.1Å; E601-Q603 PolarHBondContact O-N 3.34Å; E601-Q603 VanDerWaalsContact O-N 3.16Å; E601-Y633 HydrophobicContact CG-CD1 4.42Å; E601-Y633 HydrophobicContact CG-CE1 4.03Å
602	E	71.2	Confident	81.3	Confident	46 Å²	46	82.2 Å²	82.2	22%	0.215	39%	0.392	C	S	.	.			trans	-76.4	103.7	168	-150.6	-163.3	161.3	0	0	109.3	D600 F604 A635 I686 R690	D600-E602 VanDerWaalsContact C-N 3.29Å; D600-E602 PolarHBondContact O-N 3.35Å; E602-F604 PolarHBondContact O-N 3.44Å; E602-A635 HydrophobicContact CB-CB 3.8Å; E602-I686 HydrophobicContact CG-CD1 4.29Å; E602-I686 WeakPolarHBondContact OE1-CD1 3.13Å; E602-I686 WeakPolarHBondContact OE1-CG2 3.46Å; E602-R690 IonicContact OE1-CZ 2.82Å; E602-R690 IonicContact OE1-NH1 4Å; E602-R690 IonicContact OE1-NH2 3.64Å; E602-R690 IonicContact OE2-CZ 2.64Å; E602-R690 IonicContact OE2-NH1 3.03Å; E602-R690 IonicContact OE2-NH2 2.79Å; E602-R690 PolarHBondContact OE2-NH2 3.17Å
603	Q	72	Confident	81.1	Confident	155 Å²	155	81 Å²	81	72%	0.724	38%	0.383	S	S	*	.			trans	-79.5	117.1	177.4	-63	-170.1	6.2	0	0	110	E601	E601-Q603 PolarHBondContact O-N 3.34Å; E601-Q603 VanDerWaalsContact O-N 3.16Å
604	F	84.3	Confident	81.1	Confident	17 Å²	17	75.4 Å²	75.4	8%	0.075	36%	0.358	C	S	.	.			trans	-143.7	154.3	168.7	66.5	-86.5	0	0	0	111.1	E602 L606 P634 A635 S656 A660 L680 M682	E602-F604 PolarHBondContact O-N 3.44Å; F604-L606 HydrophobicContact CE2-CD2 3.75Å; F604-L606 HydrophobicContact CE2-CG 4.27Å; F604-L606 HydrophobicContact CZ-CD2 4.27Å; F604-L606 PolarHBondContact O-N 3.42Å; F604-P634 HydrophobicContact CE1-CB 3.85Å; F604-P634 HydrophobicContact CE2-CB 4.39Å; F604-P634 HydrophobicContact CZ-CB 3.75Å; F604-A635 HydrophobicContact CE1-CB 4.22Å; F604-S656 WeakPolarHBondContact CZ-OG 3.36Å; F604-A660 HydrophobicContact CD2-CB 4.1Å; F604-A660 HydrophobicContact CE2-CB 3.89Å; F604-L680 CarbonylContact C-O 3.56Å; F604-L680 WeakPolarHBondContact CA-O 3.28Å; F604-L680 WeakPolarHBondContact CB-O 3.16Å; F604-M682 HydrophobicContact CB-CG 3.38Å; F604-M682 HydrophobicContact CB-SD 4.13Å; F604-M682 HydrophobicContact CG-CG 4.31Å; F604-M682 HydrophobicContact CG-SD 4.49Å
605	E	84.8	Confident	81.3	Confident	91 Å²	91	77.2 Å²	77.2	43%	0.425	36%	0.36	S	S	.	.			trans	-78.2	115.9	178.3	-70	-137.4	116.1	0	0	111.5	K611 L680	E605-K611 VanDerWaalsContact CD-NZ 3.27Å; E605-K611 IonicContact OE1-NZ 3.06Å; E605-K611 PolarHBondContact OE1-NZ 3.37Å; E605-K611 IonicContact OE2-NZ 3.39Å; E605-L680 PolarHBondContact N-O 3.17Å; E605-L680 WeakPolarHBondContact O-CD2 3.46Å
606	L	84.6	Confident	81.2	Confident	22 Å²	22	78.1 Å²	78.1	12%	0.115	36%	0.362	C	S	.	.			trans	-68.5	143.3	169.3	-73.4	166.3	0	0	0	111.5	F604 F610 K611 L614 P634	F604-L606 HydrophobicContact CE2-CD2 3.75Å; F604-L606 HydrophobicContact CE2-CG 4.27Å; F604-L606 HydrophobicContact CZ-CD2 4.27Å; F604-L606 PolarHBondContact O-N 3.42Å; L606-F610 HydrophobicContact CB-CB 4.29Å; L606-F610 HydrophobicContact CD2-CD2 4.13Å; L606-K611 HydrophobicContact CB-CG 4.06Å; L606-K611 WeakPolarHBondContact O-CD 3.46Å; L606-K611 VanDerWaalsContact O-CE 3.23Å; L606-K611 WeakPolarHBondContact O-CE 3.42Å; L606-L614 HydrophobicContact CD1-CD1 3.5Å; L606-L614 VanDerWaalsContact CD1-CD1 3.5Å; L606-P634 HydrophobicContact CD1-CB 3.94Å; L606-P634 HydrophobicContact CD1-CG 4.14Å; L606-P634 HydrophobicContact CD2-CB 4.36Å; L606-P634 HydrophobicContact CG-CB 4.11Å
607	P	84.5	Confident	81.3	Confident	8 Å²	8	77.5 Å²	77.5	5%	0.052	36%	0.36	C	S	.	.			trans	-48.7	147.4	169.8	-29.5	32.2	0	0	0	113.6	R609 F610 K611 A660 V663	P607-R609 VanDerWaalsContact C-N 3.29Å; P607-R609 PolarHBondContact O-N 3.11Å; P607-R609 VanDerWaalsContact O-N 3.16Å; P607-F610 HydrophobicContact CB-CD2 4.07Å; P607-F610 HydrophobicContact CB-CE2 4.36Å; P607-F610 HydrophobicContact CG-CD2 3.87Å; P607-F610 HydrophobicContact CG-CE2 3.92Å; P607-F610 WeakPolarHBondContact O-CB 3.47Å; P607-F610 PolarHBondContact O-N 3.06Å; P607-K611 PolarHBondContact O-N 3.34Å; P607-K611 VanDerWaalsContact O-N 3.09Å; P607-A660 HydrophobicContact CG-CB 4.26Å; P607-V663 HydrophobicContact CB-CB 4.42Å; P607-V663 HydrophobicContact CB-CG1 3.74Å; P607-V663 HydrophobicContact CG-CB 3.9Å; P607-V663 HydrophobicContact CG-CG1 3.78Å; P607-V663 HydrophobicContact CG-CG2 4.42Å
608	R	83.5	Confident	81.7	Confident	198 Å²	198	77.1 Å²	77.1	75%	0.747	36%	0.357	S	S	*	.	H	α-helix	trans	-51.2	-44.2	-174.9	-73.4	-176.9	176.8	176.4	0.1	113.5	F610 K611 E612	R608-F610 VanDerWaalsContact C-N 3.3Å; R608-F610 PolarHBondContact O-N 3.16Å; R608-K611 PolarHBondContact O-N 3.35Å; R608-E612 PolarHBondContact O-N 2.71Å
609	R	79.9	Confident	82.2	Confident	190 Å²	190	72.9 Å²	72.9	72%	0.717	33%	0.333	S	S	*	.	H	α-helix	trans	-57.7	-41.7	178.3	-70.7	-170.9	175.9	-174.8	-0.1	112.5	P607 S613	P607-R609 VanDerWaalsContact C-N 3.29Å; P607-R609 PolarHBondContact O-N 3.11Å; P607-R609 VanDerWaalsContact O-N 3.16Å; R609-S613 PolarHBondContact O-N 3.2Å
610	F	85.9	Confident	82.7	Confident	21 Å²	21	71.8 Å²	71.8	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-70	-43.8	177.9	-58	-23.5	0	0	0	110.9	M584 W586 L606 P607 R608 E612 S613 L614 V639 A659 V663	M584-F610 HydrophobicContact CE-CD1 4.3Å; M584-F610 HydrophobicContact CE-CE1 3.91Å; M584-F610 HydrophobicContact SD-CD1 3.88Å; M584-F610 HydrophobicContact SD-CE1 4Å; W586-F610 HydrophobicContact CH2-CB 4.46Å; L606-F610 HydrophobicContact CB-CB 4.29Å; L606-F610 HydrophobicContact CD2-CD2 4.13Å; P607-F610 HydrophobicContact CB-CD2 4.07Å; P607-F610 HydrophobicContact CB-CE2 4.36Å; P607-F610 HydrophobicContact CG-CD2 3.87Å; P607-F610 HydrophobicContact CG-CE2 3.92Å; P607-F610 WeakPolarHBondContact O-CB 3.47Å; P607-F610 PolarHBondContact O-N 3.06Å; R608-F610 VanDerWaalsContact C-N 3.3Å; R608-F610 PolarHBondContact O-N 3.16Å; F610-E612 PolarHBondContact O-N 3.47Å; F610-S613 PolarHBondContact O-N 3.4Å; F610-L614 VanDerWaalsContact O-CB 3.32Å; F610-L614 WeakPolarHBondContact O-CB 3.31Å; F610-L614 WeakPolarHBondContact O-CG 3.32Å; F610-L614 PolarHBondContact O-N 2.98Å; F610-V639 HydrophobicContact CZ-CG1 4.31Å; F610-A659 HydrophobicContact CE2-CB 4.4Å; F610-V663 HydrophobicContact CE2-CG2 4.46Å; F610-V663 HydrophobicContact CZ-CG2 4.29Å
611	K	86.2	Confident	83.7	Confident	75 Å²	75	66.1 Å²	66.1	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-58	-44.8	177.1	-76.9	-177.9	176	176.2	0	112.4	E605 L606 P607 R608 L614 K615	E605-K611 VanDerWaalsContact CD-NZ 3.27Å; E605-K611 IonicContact OE1-NZ 3.06Å; E605-K611 PolarHBondContact OE1-NZ 3.37Å; E605-K611 IonicContact OE2-NZ 3.39Å; L606-K611 HydrophobicContact CB-CG 4.06Å; L606-K611 WeakPolarHBondContact O-CD 3.46Å; L606-K611 VanDerWaalsContact O-CE 3.23Å; L606-K611 WeakPolarHBondContact O-CE 3.42Å; P607-K611 PolarHBondContact O-N 3.34Å; P607-K611 VanDerWaalsContact O-N 3.09Å; R608-K611 PolarHBondContact O-N 3.35Å; K611-L614 PolarHBondContact O-N 3Å; K611-K615 WeakPolarHBondContact O-CG 3.25Å; K611-K615 PolarHBondContact O-N 2.61Å; K611-K615 VanDerWaalsContact O-N 3.1Å
612	E	84.6	Confident	84.9	Confident	108 Å²	108	64.1 Å²	64.1	51%	0.505	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-42.7	178.8	-73.9	173	-172.4	0	0	112.3	R608 F610 K615 R616	R608-E612 PolarHBondContact O-N 2.71Å; F610-E612 PolarHBondContact O-N 3.47Å; E612-K615 PolarHBondContact O-N 3.31Å; E612-R616 PolarHBondContact O-N 3.03Å
613	S	83	Confident	85.7	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-35	178.3	-157.5	0	0	0	0	112.7	W586 R609 F610 R616 L617	W586-S613 VanDerWaalsContact NE1-CB 3.31Å; W586-S613 PolarHBondContact NE1-OG 3.08Å; R609-S613 PolarHBondContact O-N 3.2Å; F610-S613 PolarHBondContact O-N 3.4Å; S613-R616 WeakPolarHBondContact O-CB 3.43Å; S613-R616 PolarHBondContact O-N 2.06Å; S613-L617 PolarHBondContact O-N 3.16Å; S613-L617 VanDerWaalsContact O-N 3.13Å
614	L	87	Confident	86.6	Confident	20 Å²	20	65.5 Å²	65.5	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-40.5	173.6	-89.1	158.3	0	0	0	112	W586 L606 F610 K611 R616 L617 V618 I632	W586-L614 HydrophobicContact CH2-CD1 4.07Å; W586-L614 HydrophobicContact CH2-CD2 4.43Å; W586-L614 HydrophobicContact CH2-CG 3.9Å; W586-L614 HydrophobicContact CZ2-CG 4.05Å; W586-L614 HydrophobicContact CZ3-CD2 4.42Å; W586-L614 HydrophobicContact CZ3-CG 4.37Å; L606-L614 HydrophobicContact CD1-CD1 3.5Å; L606-L614 VanDerWaalsContact CD1-CD1 3.5Å; F610-L614 VanDerWaalsContact O-CB 3.32Å; F610-L614 WeakPolarHBondContact O-CB 3.31Å; F610-L614 WeakPolarHBondContact O-CG 3.32Å; F610-L614 PolarHBondContact O-N 2.98Å; K611-L614 PolarHBondContact O-N 3Å; L614-R616 VanDerWaalsContact C-N 3.27Å; L614-R616 PolarHBondContact O-N 3.2Å; L614-L617 WeakPolarHBondContact O-CB 3.45Å; L614-L617 PolarHBondContact O-N 2.76Å; L614-L617 VanDerWaalsContact O-N 3.11Å; L614-V618 WeakPolarHBondContact O-CG2 3.47Å; L614-V618 PolarHBondContact O-N 3.25Å; L614-I632 HydrophobicContact CD1-CG2 4.41Å; L614-I632 HydrophobicContact CD2-CB 4.5Å; L614-I632 HydrophobicContact CD2-CD1 3.46Å; L614-I632 VanDerWaalsContact CD2-CD1 3.46Å; L614-I632 HydrophobicContact CD2-CG1 3.84Å; L614-I632 HydrophobicContact CD2-CG2 3.88Å
615	K	87.5	Confident	86.7	Confident	154 Å²	154	70 Å²	70	67%	0.67	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-39.3	175.1	-75.1	177.4	-178.9	-176.1	0	112.4	K611 E612 V618 A619	K611-K615 WeakPolarHBondContact O-CG 3.25Å; K611-K615 PolarHBondContact O-N 2.61Å; K611-K615 VanDerWaalsContact O-N 3.1Å; E612-K615 PolarHBondContact O-N 3.31Å; K615-V618 PolarHBondContact O-N 3.11Å; K615-A619 WeakPolarHBondContact O-CB 3.2Å; K615-A619 PolarHBondContact O-N 3.24Å
616	R	85.9	Confident	86.6	Confident	72 Å²	72	72.2 Å²	72.2	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-44.6	173.8	-79.9	-173.1	-76	156.8	-9.2	111.8	E556 Q582 E612 S613 L614 V618 A619 T620	E556-R616 IonicContact OE2-CZ 3.06Å; E556-R616 IonicContact OE2-NH1 3.68Å; E556-R616 PolarHBondContact OE2-NH1 2.9Å; Q582-R616 PolarHBondContact O-NH2 3.23Å; E612-R616 PolarHBondContact O-N 3.03Å; S613-R616 WeakPolarHBondContact O-CB 3.43Å; S613-R616 PolarHBondContact O-N 2.06Å; L614-R616 VanDerWaalsContact C-N 3.27Å; L614-R616 PolarHBondContact O-N 3.2Å; R616-V618 PolarHBondContact O-N 3.27Å; R616-A619 PolarHBondContact O-N 2.96Å; R616-T620 WeakPolarHBondContact O-CB 3.49Å; R616-T620 PolarHBondContact O-N 2.74Å; R616-T620 PolarHBondContact O-OG1 3.27Å; R616-T620 VanDerWaalsContact O-OG1 3.1Å
617	L	88	Confident	86.4	Confident	2 Å²	2	83.4 Å²	83.4	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-45.1	176.7	-174.3	140	0	0	0	112.2	F548 F552 W586 C588 S613 L614 T620 F621 L630	F548-L617 HydrophobicContact CE1-CD2 4.34Å; F548-L617 HydrophobicContact CE1-CG 4.31Å; F548-L617 HydrophobicContact CZ-CG 4.45Å; F552-L617 HydrophobicContact CE2-CB 4.08Å; F552-L617 HydrophobicContact CE2-CG 4.38Å; F552-L617 HydrophobicContact CZ-CB 4.39Å; F552-L617 HydrophobicContact CZ-CD1 4.49Å; W586-L617 HydrophobicContact CB-CD1 3.45Å; W586-L617 VanDerWaalsContact CB-CD1 3.45Å; W586-L617 HydrophobicContact CD2-CD1 4.44Å; W586-L617 HydrophobicContact CG-CD1 3.81Å; C588-L617 HydrophobicContact CB-CD1 3.87Å; C588-L617 HydrophobicContact CB-CD2 4.17Å; S613-L617 PolarHBondContact O-N 3.16Å; S613-L617 VanDerWaalsContact O-N 3.13Å; L614-L617 WeakPolarHBondContact O-CB 3.45Å; L614-L617 PolarHBondContact O-N 2.76Å; L614-L617 VanDerWaalsContact O-N 3.11Å; L617-T620 PolarHBondContact O-N 2.96Å; L617-F621 PolarHBondContact O-N 3.36Å; L617-L630 HydrophobicContact CD2-CD1 3.73Å
618	V	90.1	Very high	86.6	Confident	30 Å²	30	91 Å²	91	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-47.2	176.2	176.8	0	0	0	0	110.9	L614 K615 R616 T620 F621 E622 L630 I632	L614-V618 WeakPolarHBondContact O-CG2 3.47Å; L614-V618 PolarHBondContact O-N 3.25Å; K615-V618 PolarHBondContact O-N 3.11Å; R616-V618 PolarHBondContact O-N 3.27Å; V618-T620 VanDerWaalsContact C-N 3.31Å; V618-T620 PolarHBondContact O-N 3.38Å; V618-F621 WeakPolarHBondContact O-CB 3.45Å; V618-F621 PolarHBondContact O-N 3.41Å; V618-F621 VanDerWaalsContact O-N 3.13Å; V618-E622 WeakPolarHBondContact O-CG 3.33Å; V618-E622 PolarHBondContact O-N 3.08Å; V618-L630 HydrophobicContact CG2-CB 4.31Å; V618-I632 HydrophobicContact CG2-CD1 4.29Å; V618-I632 HydrophobicContact CG2-CG1 4.4Å
619	A	89	Confident	86.8	Confident	40 Å²	40	86.5 Å²	86.5	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-36.8	178.8	0	0	0	0	0	112.8	K615 R616 K623	K615-A619 WeakPolarHBondContact O-CB 3.2Å; K615-A619 PolarHBondContact O-N 3.24Å; R616-A619 PolarHBondContact O-N 2.96Å; A619-K623 WeakPolarHBondContact O-CG 3.47Å; A619-K623 PolarHBondContact O-N 3.07Å
620	T	88	Confident	87.3	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-70.1	-35.6	175	-60.7	0	0	0	0	111.4	F548 F552 R616 L617 V618 K623 Y624	F548-T620 HydrophobicContact CE2-CG2 4.44Å; F552-T620 HydrophobicContact CD2-CG2 3.77Å; R616-T620 WeakPolarHBondContact O-CB 3.49Å; R616-T620 PolarHBondContact O-N 2.74Å; R616-T620 PolarHBondContact O-OG1 3.27Å; R616-T620 VanDerWaalsContact O-OG1 3.1Å; L617-T620 PolarHBondContact O-N 2.96Å; V618-T620 VanDerWaalsContact C-N 3.31Å; V618-T620 PolarHBondContact O-N 3.38Å; T620-K623 PolarHBondContact O-N 2.85Å; T620-Y624 WeakPolarHBondContact O-CB 3.46Å; T620-Y624 PolarHBondContact O-N 3.45Å
621	F	90.5	Very high	87.3	Confident	8 Å²	8	84.3 Å²	84.3	4%	0.035	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-43.5	173.6	-173.9	-94	0	0	0	112.7	F544 F548 V590 L617 V618 K623 Y624 R625 R628 L630	F544-F621 AromaticContact CE1-CE2 3.92Å; F544-F621 HydrophobicContact CE1-CE2 3.92Å; F544-F621 HydrophobicContact CE1-CZ 4.39Å; F544-F621 HydrophobicContact CZ-CE2 4.1Å; F548-F621 HydrophobicContact CD1-CD2 4.16Å; F548-F621 AromaticContact CD2-CD2 3.96Å; F548-F621 HydrophobicContact CD2-CD2 3.96Å; F548-F621 HydrophobicContact CE1-CB 4.42Å; F548-F621 AromaticContact CE1-CD2 3.97Å; F548-F621 HydrophobicContact CE1-CD2 3.97Å; F548-F621 HydrophobicContact CE2-CB 3.93Å; F548-F621 AromaticContact CE2-CD2 3.76Å; F548-F621 HydrophobicContact CE2-CD2 3.76Å; F548-F621 HydrophobicContact CE2-CG 4.33Å; F548-F621 HydrophobicContact CG-CD2 4.16Å; F548-F621 HydrophobicContact CZ-CB 3.65Å; F548-F621 AromaticContact CZ-CD2 3.77Å; F548-F621 HydrophobicContact CZ-CD2 3.77Å; F548-F621 HydrophobicContact CZ-CG 4.22Å; V590-F621 HydrophobicContact CG1-CE2 4.12Å; V590-F621 HydrophobicContact CG1-CZ 4.14Å; V590-F621 HydrophobicContact CG2-CD2 4.44Å; V590-F621 HydrophobicContact CG2-CE2 4.01Å; L617-F621 PolarHBondContact O-N 3.36Å; V618-F621 WeakPolarHBondContact O-CB 3.45Å; V618-F621 PolarHBondContact O-N 3.41Å; V618-F621 VanDerWaalsContact O-N 3.13Å; F621-K623 PolarHBondContact O-N 3.5Å; F621-Y624 CarbonylContact O-C 3.59Å; F621-Y624 WeakPolarHBondContact O-CA 3.39Å; F621-Y624 WeakPolarHBondContact O-CB 3.5Å; F621-Y624 PolarHBondContact O-N 3.13Å; F621-R625 HydrophobicContact CE1-CB 4.13Å; F621-R625 HydrophobicContact CE2-CG 4.41Å; F621-R625 HydrophobicContact CZ-CB 4.18Å; F621-R625 HydrophobicContact CZ-CG 4.13Å; F621-R625 PolarHBondContact O-N 3.19Å; F621-R628 HydrophobicContact CE1-CB 4.09Å; F621-L630 HydrophobicContact CB-CD1 3.57Å; F621-L630 HydrophobicContact CB-CG 4Å; F621-L630 HydrophobicContact CD1-CD1 3.99Å; F621-L630 HydrophobicContact CD1-CD2 3.78Å; F621-L630 HydrophobicContact CD1-CG 3.47Å; F621-L630 VanDerWaalsContact CD1-CG 3.47Å; F621-L630 HydrophobicContact CD2-CD1 3.82Å; F621-L630 HydrophobicContact CD2-CD2 4.08Å; F621-L630 HydrophobicContact CD2-CG 4.09Å; F621-L630 HydrophobicContact CE1-CD2 3.62Å; F621-L630 HydrophobicContact CE1-CG 3.86Å; F621-L630 HydrophobicContact CE2-CD1 4.5Å; F621-L630 HydrophobicContact CE2-CD2 3.95Å; F621-L630 HydrophobicContact CE2-CG 4.45Å; F621-L630 HydrophobicContact CG-CD1 3.51Å; F621-L630 HydrophobicContact CG-CD2 3.99Å; F621-L630 HydrophobicContact CG-CG 3.57Å; F621-L630 HydrophobicContact CZ-CD2 3.71Å; F621-L630 HydrophobicContact CZ-CG 4.33Å
622	E	91.8	Very high	87.3	Confident	83 Å²	83	83.6 Å²	83.6	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-33.9	177.4	-73.8	172.6	178.6	0	0	112.3	V618 R625 R628 T629	V618-E622 WeakPolarHBondContact O-CG 3.33Å; V618-E622 PolarHBondContact O-N 3.08Å; E622-R625 CarbonylContact O-C 3.6Å; E622-R628 WeakPolarHBondContact CG-O 3.33Å; E622-T629 HydrophobicContact CG-CG2 4.16Å; E622-T629 VanDerWaalsContact OE1-CG2 3.27Å; E622-T629 WeakPolarHBondContact OE1-CG2 3.47Å
623	K	89.4	Confident	87.4	Confident	150 Å²	150	81 Å²	81	65%	0.652	37%	0.367	S	S	*	.	H	α-helix	trans	-72.6	-37.2	172.1	-67.2	172.7	-173.7	173.4	0	112.5	A619 T620 F621	A619-K623 WeakPolarHBondContact O-CG 3.47Å; A619-K623 PolarHBondContact O-N 3.07Å; T620-K623 PolarHBondContact O-N 2.85Å; F621-K623 PolarHBondContact O-N 3.5Å
624	Y	89	Confident	87.3	Confident	80 Å²	80	82.6 Å²	82.6	31%	0.314	38%	0.377	S	S	.	.	H	α-helix	trans	-71.6	-36.4	179.4	-172.7	-108.7	0	0	0	112.1	F544 F548 H551 T620 F621	F544-Y624 HydrophobicContact CE2-CD1 4.47Å; F544-Y624 AromaticContact CE2-CE1 3.67Å; F544-Y624 HydrophobicContact CE2-CE1 3.67Å; F544-Y624 HydrophobicContact CZ-CD1 4.16Å; F544-Y624 AromaticContact CZ-CE1 3.76Å; F544-Y624 HydrophobicContact CZ-CE1 3.76Å; F548-Y624 HydrophobicContact CB-CD1 4.41Å; F548-Y624 HydrophobicContact CB-CE1 4.15Å; F548-Y624 AromaticContact CD2-CD1 3.63Å; F548-Y624 HydrophobicContact CD2-CD1 3.63Å; F548-Y624 HydrophobicContact CD2-CE1 4.17Å; F548-Y624 AromaticContact CD2-CG 3.87Å; F548-Y624 HydrophobicContact CD2-CG 3.87Å; F548-Y624 HydrophobicContact CE2-CD1 4.42Å; F548-Y624 HydrophobicContact CE2-CG 4.37Å; F548-Y624 HydrophobicContact CG-CD1 4.4Å; H551-Y624 HydrophobicContact CB-CD2 4.27Å; H551-Y624 HydrophobicContact CB-CE2 4.04Å; H551-Y624 AromaticContact CD2-CD2 3.47Å; H551-Y624 VanDerWaalsContact CD2-CD2 3.47Å; H551-Y624 WeakPolarHBondContact CD2-CD2 3.31Å; H551-Y624 AromaticContact CG-CD2 3.7Å; H551-Y624 AromaticContact CG-CE2 3.8Å; H551-Y624 AromaticContact NE2-CD2 3.76Å; T620-Y624 WeakPolarHBondContact O-CB 3.46Å; T620-Y624 PolarHBondContact O-N 3.45Å; F621-Y624 CarbonylContact O-C 3.59Å; F621-Y624 WeakPolarHBondContact O-CA 3.39Å; F621-Y624 WeakPolarHBondContact O-CB 3.5Å; F621-Y624 PolarHBondContact O-N 3.13Å
625	R	87.5	Confident	87	Confident	112 Å²	112	82.8 Å²	82.8	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	-129.9	97.9	177.3	-72.9	-64.3	-165.1	-178.3	-0.1	110.5	F544 F621 E622 R627 R628	F544-R625 VanDerWaalsContact CE2-NH2 3.26Å; F544-R625 HydrophobicContact CZ-CG 3.98Å; F621-R625 HydrophobicContact CE1-CB 4.13Å; F621-R625 HydrophobicContact CE2-CG 4.41Å; F621-R625 HydrophobicContact CZ-CB 4.18Å; F621-R625 HydrophobicContact CZ-CG 4.13Å; F621-R625 PolarHBondContact O-N 3.19Å; E622-R625 CarbonylContact O-C 3.6Å; R625-R627 PolarHBondContact O-N 3.31Å; R625-R628 HydrophobicContact CB-CB 4.37Å; R625-R628 PolarHBondContact O-N 3.31Å
626	N	81.7	Confident	86.6	Confident	136 Å²	136	80.1 Å²	80.1	73%	0.727	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	136.5	177.6	-78	-9.8	0	0	0	112.7	R628	N626-R628 VanDerWaalsContact C-N 3.26Å; N626-R628 PolarHBondContact O-N 2.89Å
627	R	82.2	Confident	86.5	Confident	257 Å²	257	78.1 Å²	78.1	97%	0.97	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	27.1	177	-53.9	-177.9	176.6	-175.4	-1.5	114.5	R625	R625-R627 PolarHBondContact O-N 3.31Å
628	R	86.9	Confident	86.4	Confident	167 Å²	167	81.1 Å²	81.1	63%	0.63	39%	0.394	S	S	*	.			trans	-131.1	135.4	171.8	-62.8	-172.5	-179.5	-166.1	-2.4	109.6	F621 E622 R625 N626	F621-R628 HydrophobicContact CE1-CB 4.09Å; E622-R628 WeakPolarHBondContact CG-O 3.33Å; R625-R628 HydrophobicContact CB-CB 4.37Å; R625-R628 PolarHBondContact O-N 3.31Å; N626-R628 VanDerWaalsContact C-N 3.26Å; N626-R628 PolarHBondContact O-N 2.89Å
629	T	89.7	Confident	86.2	Confident	104 Å²	104	81 Å²	81	64%	0.638	39%	0.394	S	S	*	.			trans	-111.9	161.6	173.9	62.5	0	0	0	0	109	E622	E622-T629 HydrophobicContact CG-CG2 4.16Å; E622-T629 VanDerWaalsContact OE1-CG2 3.27Å; E622-T629 WeakPolarHBondContact OE1-CG2 3.47Å
630	L	89.2	Confident	86.2	Confident	29 Å²	29	83 Å²	83	15%	0.152	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-102.1	129.8	175.6	-68.6	174.5	0	0	0	110.1	V590 L617 V618 F621 I632	V590-L630 HydrophobicContact CG1-CD2 3.87Å; V590-L630 HydrophobicContact CG2-CD2 4.14Å; L617-L630 HydrophobicContact CD2-CD1 3.73Å; V618-L630 HydrophobicContact CG2-CB 4.31Å; F621-L630 HydrophobicContact CB-CD1 3.57Å; F621-L630 HydrophobicContact CB-CG 4Å; F621-L630 HydrophobicContact CD1-CD1 3.99Å; F621-L630 HydrophobicContact CD1-CD2 3.78Å; F621-L630 HydrophobicContact CD1-CG 3.47Å; F621-L630 VanDerWaalsContact CD1-CG 3.47Å; F621-L630 HydrophobicContact CD2-CD1 3.82Å; F621-L630 HydrophobicContact CD2-CD2 4.08Å; F621-L630 HydrophobicContact CD2-CG 4.09Å; F621-L630 HydrophobicContact CE1-CD2 3.62Å; F621-L630 HydrophobicContact CE1-CG 3.86Å; F621-L630 HydrophobicContact CE2-CD1 4.5Å; F621-L630 HydrophobicContact CE2-CD2 3.95Å; F621-L630 HydrophobicContact CE2-CG 4.45Å; F621-L630 HydrophobicContact CG-CD1 3.51Å; F621-L630 HydrophobicContact CG-CD2 3.99Å; F621-L630 HydrophobicContact CG-CG 3.57Å; F621-L630 HydrophobicContact CZ-CD2 3.71Å; F621-L630 HydrophobicContact CZ-CG 4.33Å; L630-I632 HydrophobicContact CB-CD1 4.46Å
631	E	86.9	Confident	86.3	Confident	137 Å²	137	84.1 Å²	84.1	64%	0.64	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-89.1	126.9	160.1	-175.6	173.2	-137.2	0	0	108.5	Y633	E631-Y633 HydrophobicContact CB-CE2 4.35Å; E631-Y633 HydrophobicContact CG-CE2 4.02Å; E631-Y633 PolarHBondContact OE2-OH 3.24Å
632	I	85.8	Confident	86.1	Confident	60 Å²	60	88.9 Å²	88.9	31%	0.308	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-97.3	132.7	-176.6	-56.1	-72	0	0	0	108.1	L614 V618 L630 P634	L614-I632 HydrophobicContact CD1-CG2 4.41Å; L614-I632 HydrophobicContact CD2-CB 4.5Å; L614-I632 HydrophobicContact CD2-CD1 3.46Å; L614-I632 VanDerWaalsContact CD2-CD1 3.46Å; L614-I632 HydrophobicContact CD2-CG1 3.84Å; L614-I632 HydrophobicContact CD2-CG2 3.88Å; V618-I632 HydrophobicContact CG2-CD1 4.29Å; V618-I632 HydrophobicContact CG2-CG1 4.4Å; L630-I632 HydrophobicContact CB-CD1 4.46Å; I632-P634 VanDerWaalsContact O-CD 3.3Å; I632-P634 WeakPolarHBondContact O-CD 3.27Å
633	Y	85.9	Confident	85.9	Confident	53 Å²	53	86.3 Å²	86.3	21%	0.208	43%	0.43	C	S	.	.			trans	-104.2	94.3	172.9	-69.1	-97.7	0	0	0	109.2	L599 E601 E631 A635	L599-Y633 HydrophobicContact CB-CD1 4.3Å; L599-Y633 HydrophobicContact CD1-CD1 4.47Å; L599-Y633 HydrophobicContact CD1-CG 4.42Å; E601-Y633 HydrophobicContact CG-CD1 4.42Å; E601-Y633 HydrophobicContact CG-CE1 4.03Å; E631-Y633 HydrophobicContact CB-CE2 4.35Å; E631-Y633 HydrophobicContact CG-CE2 4.02Å; E631-Y633 PolarHBondContact OE2-OH 3.24Å; Y633-A635 VanDerWaalsContact C-N 3.34Å; Y633-A635 PolarHBondContact O-N 3.28Å
634	P	81.7	Confident	85.7	Confident	35 Å²	35	84.4 Å²	84.4	23%	0.227	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-62.9	-40.7	-171.7	-23.8	36.7	0	0	0	112.2	F604 L606 I632 W636 G637 S656	F604-P634 HydrophobicContact CE1-CB 3.85Å; F604-P634 HydrophobicContact CE2-CB 4.39Å; F604-P634 HydrophobicContact CZ-CB 3.75Å; L606-P634 HydrophobicContact CD1-CB 3.94Å; L606-P634 HydrophobicContact CD1-CG 4.14Å; L606-P634 HydrophobicContact CD2-CB 4.36Å; L606-P634 HydrophobicContact CG-CB 4.11Å; I632-P634 VanDerWaalsContact O-CD 3.3Å; I632-P634 WeakPolarHBondContact O-CD 3.27Å; P634-W636 PolarHBondContact O-N 2.88Å; P634-W636 VanDerWaalsContact O-N 3.12Å; P634-G637 PolarHBondContact O-N 2.94Å; P634-S656 VanDerWaalsContact O-CB 3.26Å; P634-S656 WeakPolarHBondContact O-CB 3.37Å; P634-S656 PolarHBondContact O-OG 2.57Å
635	A	80.2	Confident	85.2	Confident	24 Å²	24	81.5 Å²	81.5	20%	0.198	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.8	-174	0	0	0	0	0	114.7	E602 F604 Y633 G637	E602-A635 HydrophobicContact CB-CB 3.8Å; F604-A635 HydrophobicContact CE1-CB 4.22Å; Y633-A635 VanDerWaalsContact C-N 3.34Å; Y633-A635 PolarHBondContact O-N 3.28Å; A635-G637 VanDerWaalsContact C-N 3.34Å
636	W	79.9	Confident	84.7	Confident	98 Å²	98	79.4 Å²	79.4	37%	0.371	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-93.6	7.2	-179	-66.6	85.3	0	0	0	113.3	L506 L599 D600 P634	L506-W636 HydrophobicContact CB-CE3 4.44Å; L506-W636 HydrophobicContact CD1-CD2 4.36Å; L506-W636 HydrophobicContact CD1-CE3 3.62Å; L506-W636 HydrophobicContact CD1-CH2 4.27Å; L506-W636 HydrophobicContact CD1-CZ3 3.57Å; L599-W636 HydrophobicContact CD2-CD2 4.09Å; L599-W636 HydrophobicContact CD2-CE3 4.48Å; L599-W636 HydrophobicContact CD2-CH2 4.35Å; L599-W636 HydrophobicContact CD2-CZ2 3.96Å; D600-W636 PolarHBondContact O-NE1 3.12Å; P634-W636 PolarHBondContact O-N 2.88Å; P634-W636 VanDerWaalsContact O-N 3.12Å
637	G	82.5	Confident	84.4	Confident	31 Å²	31	82.4 Å²	82.4	32%	0.32	44%	0.444	S	S	.	.			trans	-79.1	144.2	177.1	0	0	0	0	0	113.1	P634 A635 T655 S656	P634-G637 PolarHBondContact O-N 2.94Å; A635-G637 VanDerWaalsContact C-N 3.34Å; G637-T655 CarbonylContact O-C 3.04Å; G637-T655 WeakPolarHBondContact O-CA 3.12Å; G637-S656 PolarHBondContact O-N 2.95Å; G637-S656 PolarHBondContact O-OG 3.16Å
638	A	85.7	Confident	84.1	Confident	65 Å²	65	73.2 Å²	73.2	54%	0.537	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.9	168.9	0	0	0	0	0	110.1	L727	A638-L727 HydrophobicContact CB-CD2 3.45Å; A638-L727 VanDerWaalsContact CB-CD2 3.45Å
639	V	87.8	Confident	83.9	Confident	28 Å²	28	69.7 Å²	69.7	17%	0.17	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.9	-179	-173.4	0	0	0	0	109.1	F610 M641 V653 V654 A659	F610-V639 HydrophobicContact CZ-CG1 4.31Å; V639-M641 HydrophobicContact CB-CE 3.83Å; V639-M641 HydrophobicContact CG1-CB 4.49Å; V639-M641 HydrophobicContact CG1-CE 3.56Å; V639-V653 WeakPolarHBondContact O-CA 3.22Å; V639-V654 PolarHBondContact N-O 3.5Å; V639-V654 PolarHBondContact O-N 2.9Å; V639-A659 HydrophobicContact CB-CB 3.87Å; V639-A659 HydrophobicContact CG1-CB 4.23Å; V639-A659 HydrophobicContact CG2-CB 3.8Å
640	A	88.8	Confident	83.6	Confident	81 Å²	81	66.8 Å²	66.8	67%	0.669	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.7	165.1	0	0	0	0	0	108.5	V652 V653	A640-V652 WeakPolarHBondContact CA-O 3.29Å; A640-V653 HydrophobicContact CB-CG2 4.16Å
641	M	88.5	Confident	83.5	Confident	29 Å²	29	68.3 Å²	68.3	14%	0.143	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.9	-179.9	69.9	-170.5	74	0	0	111.1	V639 L643 V652 V654 A659 I662	V639-M641 HydrophobicContact CB-CE 3.83Å; V639-M641 HydrophobicContact CG1-CB 4.49Å; V639-M641 HydrophobicContact CG1-CE 3.56Å; M641-L643 HydrophobicContact CG-CD2 4.13Å; M641-L643 HydrophobicContact CG-CG 4.2Å; M641-L643 HydrophobicContact SD-CD2 3.87Å; M641-L643 HydrophobicContact SD-CG 4.37Å; M641-V652 HydrophobicContact CG-CB 4.37Å; M641-V652 HydrophobicContact CG-CG2 4.46Å; M641-V652 PolarHBondContact N-O 3.25Å; M641-V652 PolarHBondContact O-N 3.4Å; M641-V654 HydrophobicContact CE-CG2 3.41Å; M641-V654 VanDerWaalsContact CE-CG2 3.41Å; M641-V654 HydrophobicContact SD-CG2 4.41Å; M641-A659 HydrophobicContact CE-CB 3.28Å; M641-I662 HydrophobicContact SD-CG2 3.78Å
642	D	88.1	Confident	83.6	Confident	107 Å²	107	61.9 Å²	61.9	57%	0.572	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.1	169.8	-65.9	-36.4	0	0	0	108.6	V649 S651	D642-V649 HydrophobicContact CB-CG1 4.1Å; D642-S651 WeakPolarHBondContact OD1-CA 3.05Å; D642-S651 VanDerWaalsContact OD1-CB 3.24Å; D642-S651 WeakPolarHBondContact OD1-CB 3.39Å; D642-S651 PolarHBondContact OD1-OG 2.98Å
643	L	87.1	Confident	83.6	Confident	30 Å²	30	60.4 Å²	60.4	16%	0.157	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118	176.4	-63.2	-179.7	0	0	0	109.3	M641 C650 V652 I662 W694 F699	M641-L643 HydrophobicContact CG-CD2 4.13Å; M641-L643 HydrophobicContact CG-CG 4.2Å; M641-L643 HydrophobicContact SD-CD2 3.87Å; M641-L643 HydrophobicContact SD-CG 4.37Å; L643-C650 PolarHBondContact N-O 3.23Å; L643-C650 PolarHBondContact O-N 3.33Å; L643-V652 HydrophobicContact CB-CG2 4.47Å; L643-V652 HydrophobicContact CD1-CG2 3.68Å; L643-V652 HydrophobicContact CG-CG2 3.86Å; L643-I662 HydrophobicContact CD1-CG1 4.32Å; L643-I662 HydrophobicContact CD2-CG1 4.37Å; L643-W694 HydrophobicContact CD1-CH2 3.94Å; L643-W694 HydrophobicContact CD1-CZ3 3.69Å; L643-F699 HydrophobicContact CB-CE1 4.27Å; L643-F699 HydrophobicContact CD1-CD1 3.87Å; L643-F699 HydrophobicContact CD1-CE1 3.67Å; L643-F699 HydrophobicContact CD1-CG 4.5Å; L643-F699 HydrophobicContact CD1-CZ 4.12Å
644	T	83.9	Confident	83.8	Confident	110 Å²	110	57.9 Å²	57.9	68%	0.675	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	110	174.2	43.3	0	0	0	0	110.2	T648 V649	T644-T648 WeakPolarHBondContact CA-O 3.43Å; T644-V649 HydrophobicContact CG2-CG1 4.44Å; T644-V649 HydrophobicContact CG2-CG2 4.04Å
645	L	78.5	Confident	84.1	Confident	18 Å²	18	56.7 Å²	56.7	9%	0.094	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	105.5	173.8	-82.7	134.2	0	0	0	109.1	E647 T648 F699 L710 R711 A714	L645-E647 PolarHBondContact O-N 2.86Å; L645-T648 PolarHBondContact N-O 3.02Å; L645-T648 PolarHBondContact O-N 3.16Å; L645-T648 PolarHBondContact O-OG1 2.95Å; L645-F699 HydrophobicContact CD1-CD1 3.46Å; L645-F699 VanDerWaalsContact CD1-CD1 3.46Å; L645-F699 HydrophobicContact CD1-CE1 3.9Å; L645-L710 HydrophobicContact CD2-CD2 4.01Å; L645-L710 HydrophobicContact CD2-CG 4.16Å; L645-R711 WeakPolarHBondContact CD2-O 3.25Å; L645-A714 HydrophobicContact CD1-CB 4.43Å
646	G	77.2	Confident	84.5	Confident	69 Å²	69	55.8 Å²	55.8	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-118.8	-172.1	0	0	0	0	0	111
647	E	76.8	Confident	84.9	Confident	199 Å²	199	51.2 Å²	51.2	93%	0.93	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.5	176.3	-61.3	-168.7	165.7	0	0	113.6	L645	L645-E647 PolarHBondContact O-N 2.86Å
648	T	75.1	Confident	85.3	Confident	63 Å²	63	49.7 Å²	49.7	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.4	-176	61.4	0	0	0	0	111.8	T644 L645	T644-T648 WeakPolarHBondContact CA-O 3.43Å; L645-T648 PolarHBondContact N-O 3.02Å; L645-T648 PolarHBondContact O-N 3.16Å; L645-T648 PolarHBondContact O-OG1 2.95Å
649	V	82.5	Confident	85.5	Confident	94 Å²	94	46.6 Å²	46.6	57%	0.57	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.6	172.9	-170.5	0	0	0	0	108.5	D642 T644	D642-V649 HydrophobicContact CB-CG1 4.1Å; T644-V649 HydrophobicContact CG2-CG1 4.44Å; T644-V649 HydrophobicContact CG2-CG2 4.04Å
650	C	83.6	Confident	85.7	Confident	42 Å²	42	45.3 Å²	45.3	28%	0.284	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.4	175.9	-72.5	0	0	0	0	110.4	L643 V652 F699	L643-C650 PolarHBondContact N-O 3.23Å; L643-C650 PolarHBondContact O-N 3.33Å; C650-V652 WeakPolarHBondContact O-CG2 3Å; C650-F699 HydrophobicContact CB-CE1 4.35Å; C650-F699 HydrophobicContact CB-CZ 4.29Å
651	S	87.1	Confident	85.8	Confident	62 Å²	62	41.4 Å²	41.4	43%	0.434	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.5	172.8	-56	0	0	0	0	110.3	D642 P723 I724	D642-S651 WeakPolarHBondContact OD1-CA 3.05Å; D642-S651 VanDerWaalsContact OD1-CB 3.24Å; D642-S651 WeakPolarHBondContact OD1-CB 3.39Å; D642-S651 PolarHBondContact OD1-OG 2.98Å; S651-P723 WeakPolarHBondContact O-CA 3.33Å; S651-I724 PolarHBondContact O-N 3.38Å
652	V	88.4	Confident	86	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.6	-176	-143.6	0	0	0	0	108.8	A640 M641 L643 C650 V654 W693 W694 F699 I724	A640-V652 WeakPolarHBondContact CA-O 3.29Å; M641-V652 HydrophobicContact CG-CB 4.37Å; M641-V652 HydrophobicContact CG-CG2 4.46Å; M641-V652 PolarHBondContact N-O 3.25Å; M641-V652 PolarHBondContact O-N 3.4Å; L643-V652 HydrophobicContact CB-CG2 4.47Å; L643-V652 HydrophobicContact CD1-CG2 3.68Å; L643-V652 HydrophobicContact CG-CG2 3.86Å; C650-V652 WeakPolarHBondContact O-CG2 3Å; V652-V654 HydrophobicContact CB-CG1 4.34Å; V652-V654 HydrophobicContact CG1-CG1 3.56Å; V652-W693 HydrophobicContact CG1-CH2 4.32Å; V652-W694 HydrophobicContact CG1-CH2 4.35Å; V652-F699 HydrophobicContact CG2-CZ 4.39Å; V652-I724 HydrophobicContact CG1-CB 3.8Å; V652-I724 HydrophobicContact CG1-CD1 4.43Å; V652-I724 HydrophobicContact CG1-CG2 4.14Å
653	V	87.6	Confident	86.1	Confident	29 Å²	29	37.2 Å²	37.2	18%	0.176	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.1	171.9	-173.1	0	0	0	0	108	V639 A640 I724 F725 C726 L727	V639-V653 WeakPolarHBondContact O-CA 3.22Å; A640-V653 HydrophobicContact CB-CG2 4.16Å; V653-I724 PolarHBondContact N-O 3.43Å; V653-F725 HydrophobicContact CB-CD1 3.63Å; V653-F725 HydrophobicContact CB-CE1 3.83Å; V653-F725 HydrophobicContact CG1-CD1 4.14Å; V653-F725 HydrophobicContact CG1-CE1 4.31Å; V653-F725 HydrophobicContact CG2-CD1 4.03Å; V653-F725 HydrophobicContact CG2-CE1 3.69Å; V653-F725 HydrophobicContact CG2-CZ 4.4Å; V653-F725 CarbonylContact O-C 3.51Å; V653-F725 WeakPolarHBondContact O-CA 3.36Å; V653-C726 PolarHBondContact O-N 3Å; V653-L727 HydrophobicContact CG1-CD2 4.1Å
654	V	89.3	Confident	86.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164.7	-171.5	-64	0	0	0	0	111.8	V639 M641 V652 L658 A659 W693 W694 C726	V639-V654 PolarHBondContact N-O 3.5Å; V639-V654 PolarHBondContact O-N 2.9Å; M641-V654 HydrophobicContact CE-CG2 3.41Å; M641-V654 VanDerWaalsContact CE-CG2 3.41Å; M641-V654 HydrophobicContact SD-CG2 4.41Å; V652-V654 HydrophobicContact CB-CG1 4.34Å; V652-V654 HydrophobicContact CG1-CG1 3.56Å; V654-L658 HydrophobicContact CB-CB 3.91Å; V654-L658 HydrophobicContact CB-CD1 4.11Å; V654-L658 HydrophobicContact CG1-CD1 4.39Å; V654-L658 HydrophobicContact CG2-CB 4.1Å; V654-A659 HydrophobicContact CG2-CB 4.22Å; V654-W693 HydrophobicContact CG1-CH2 3.65Å; V654-W693 HydrophobicContact CG1-CZ3 3.89Å; V654-W694 HydrophobicContact CG1-CH2 4.11Å; V654-W694 HydrophobicContact CG1-CZ2 4.3Å; V654-W694 HydrophobicContact CG2-CH2 4.38Å; V654-W694 HydrophobicContact CG2-CZ2 4.18Å; V654-C726 CarbonylContact C-O 3.36Å; V654-C726 VanDerWaalsContact CA-O 3.28Å; V654-C726 WeakPolarHBondContact CA-O 3.33Å; V654-C726 HydrophobicContact CG1-CB 4.41Å
655	T	88.3	Confident	86.5	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.067	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	150.9	169	64	0	0	0	0	111.3	G637 G657 L658 A659 C726 E729	G637-T655 CarbonylContact O-C 3.04Å; G637-T655 WeakPolarHBondContact O-CA 3.12Å; T655-G657 PolarHBondContact O-N 3.43Å; T655-L658 PolarHBondContact O-N 3.2Å; T655-L658 VanDerWaalsContact O-N 3.14Å; T655-L658 WeakPolarHBondContact OG1-CB 3.13Å; T655-L658 WeakPolarHBondContact OG1-CG 3.26Å; T655-L658 PolarHBondContact OG1-N 3.34Å; T655-A659 WeakPolarHBondContact O-CB 3.12Å; T655-A659 PolarHBondContact O-N 3.03Å; T655-C726 WeakPolarHBondContact CG2-O 3.43Å; T655-C726 PolarHBondContact N-O 3.44Å; T655-E729 HydrophobicContact CG2-CG 3.77Å; T655-E729 PolarHBondContact OG1-OE1 3.43Å
656	S	88.3	Confident	86.9	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-54.4	-33.2	173	55	0	0	0	0	113	F604 P634 G637 A659 A660	F604-S656 WeakPolarHBondContact CZ-OG 3.36Å; P634-S656 VanDerWaalsContact O-CB 3.26Å; P634-S656 WeakPolarHBondContact O-CB 3.37Å; P634-S656 PolarHBondContact O-OG 2.57Å; G637-S656 PolarHBondContact O-N 2.95Å; G637-S656 PolarHBondContact O-OG 3.16Å; S656-A659 WeakPolarHBondContact O-CB 3.38Å; S656-A659 PolarHBondContact O-N 2.93Å; S656-A660 WeakPolarHBondContact O-CB 3.47Å; S656-A660 PolarHBondContact O-N 2.98Å
657	G	88.7	Confident	87.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-47.7	174.8	0	0	0	0	0	112.6	T655 A659 A660 V661 R690	T655-G657 PolarHBondContact O-N 3.43Å; G657-A659 VanDerWaalsContact C-N 3.31Å; G657-A659 PolarHBondContact O-N 3.21Å; G657-A660 PolarHBondContact O-N 3.05Å; G657-V661 PolarHBondContact O-N 3.05Å; G657-R690 VanDerWaalsContact CA-NH1 3.34Å
658	L	90.1	Very high	87.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-40	173.2	-77.3	169	0	0	0	111.5	V654 T655 V661 I662 R690 W693 W694 C726	V654-L658 HydrophobicContact CB-CB 3.91Å; V654-L658 HydrophobicContact CB-CD1 4.11Å; V654-L658 HydrophobicContact CG1-CD1 4.39Å; V654-L658 HydrophobicContact CG2-CB 4.1Å; T655-L658 PolarHBondContact O-N 3.2Å; T655-L658 VanDerWaalsContact O-N 3.14Å; T655-L658 WeakPolarHBondContact OG1-CB 3.13Å; T655-L658 WeakPolarHBondContact OG1-CG 3.26Å; T655-L658 PolarHBondContact OG1-N 3.34Å; L658-V661 PolarHBondContact O-N 2.99Å; L658-I662 PolarHBondContact O-N 3.43Å; L658-I662 VanDerWaalsContact O-N 3.15Å; L658-R690 HydrophobicContact CD2-CB 3.76Å; L658-R690 HydrophobicContact CD2-CG 3.86Å; L658-R690 HydrophobicContact CG-CG 4.28Å; L658-W693 HydrophobicContact CD1-CD2 4.14Å; L658-W693 HydrophobicContact CD1-CE3 4.08Å; L658-W693 HydrophobicContact CD1-CZ3 4.4Å; L658-W693 HydrophobicContact CD2-CB 4.17Å; L658-W693 HydrophobicContact CD2-CD2 4.21Å; L658-W693 HydrophobicContact CD2-CE3 3.87Å; L658-W693 HydrophobicContact CD2-CG 4.38Å; L658-W694 HydrophobicContact CB-CZ2 4.1Å; L658-W694 PolarHBondContact O-NE1 3.36Å; L658-C726 HydrophobicContact CD1-CB 4Å
659	A	90.9	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-44.9	175.4	0	0	0	0	0	112.2	F610 V639 M641 V654 T655 S656 G657 V661 I662 V663	F610-A659 HydrophobicContact CE2-CB 4.4Å; V639-A659 HydrophobicContact CB-CB 3.87Å; V639-A659 HydrophobicContact CG1-CB 4.23Å; V639-A659 HydrophobicContact CG2-CB 3.8Å; M641-A659 HydrophobicContact CE-CB 3.28Å; V654-A659 HydrophobicContact CG2-CB 4.22Å; T655-A659 WeakPolarHBondContact O-CB 3.12Å; T655-A659 PolarHBondContact O-N 3.03Å; S656-A659 WeakPolarHBondContact O-CB 3.38Å; S656-A659 PolarHBondContact O-N 2.93Å; G657-A659 VanDerWaalsContact C-N 3.31Å; G657-A659 PolarHBondContact O-N 3.21Å; A659-V661 VanDerWaalsContact C-N 3.28Å; A659-V661 PolarHBondContact O-N 3.06Å; A659-I662 WeakPolarHBondContact O-CG2 3.3Å; A659-I662 PolarHBondContact O-N 2.93Å; A659-V663 WeakPolarHBondContact O-CB 3.45Å; A659-V663 WeakPolarHBondContact O-CG2 3.22Å; A659-V663 PolarHBondContact O-N 3.25Å
660	A	91	Very high	88.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-40.3	178.7	0	0	0	0	0	111.5	F604 P607 S656 G657 Q664 L680	F604-A660 HydrophobicContact CD2-CB 4.1Å; F604-A660 HydrophobicContact CE2-CB 3.89Å; P607-A660 HydrophobicContact CG-CB 4.26Å; S656-A660 WeakPolarHBondContact O-CB 3.47Å; S656-A660 PolarHBondContact O-N 2.98Å; G657-A660 PolarHBondContact O-N 3.05Å; A660-Q664 WeakPolarHBondContact O-CG 3.35Å; A660-L680 HydrophobicContact CB-CD2 4.14Å
661	V	91.9	Very high	89.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-52.3	175.9	166.4	0	0	0	0	111.7	G657 L658 A659 V663 Q664 F665 L676 L680 R690 L691	G657-V661 PolarHBondContact O-N 3.05Å; L658-V661 PolarHBondContact O-N 2.99Å; A659-V661 VanDerWaalsContact C-N 3.28Å; A659-V661 PolarHBondContact O-N 3.06Å; V661-V663 PolarHBondContact O-N 3.27Å; V661-Q664 PolarHBondContact O-N 2.75Å; V661-F665 HydrophobicContact CG1-CE2 4.36Å; V661-F665 WeakPolarHBondContact O-CD2 3.25Å; V661-L676 HydrophobicContact CB-CD2 4.45Å; V661-L676 HydrophobicContact CG1-CD2 3.89Å; V661-L676 HydrophobicContact CG2-CD2 4.19Å; V661-L680 HydrophobicContact CG2-CD1 3.87Å; V661-R690 HydrophobicContact CG2-CB 4.15Å; V661-L691 HydrophobicContact CG1-CD2 3.87Å; V661-L691 HydrophobicContact CG1-CG 4.31Å
662	I	91.4	Very high	89.5	Confident	9 Å²	9	32.8 Å²	32.8	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-32.5	-173.8	-162.3	64.4	0	0	0	112.3	M641 L643 L658 A659 Q664 F665 W694 L700 L710	M641-I662 HydrophobicContact SD-CG2 3.78Å; L643-I662 HydrophobicContact CD1-CG1 4.32Å; L643-I662 HydrophobicContact CD2-CG1 4.37Å; L658-I662 PolarHBondContact O-N 3.43Å; L658-I662 VanDerWaalsContact O-N 3.15Å; A659-I662 WeakPolarHBondContact O-CG2 3.3Å; A659-I662 PolarHBondContact O-N 2.93Å; I662-Q664 VanDerWaalsContact C-N 3.26Å; I662-Q664 PolarHBondContact O-N 3.39Å; I662-F665 WeakPolarHBondContact O-CB 3.45Å; I662-F665 PolarHBondContact O-N 3.45Å; I662-W694 HydrophobicContact CB-CD2 4.37Å; I662-W694 HydrophobicContact CB-CH2 4.26Å; I662-W694 HydrophobicContact CB-CZ2 3.75Å; I662-W694 HydrophobicContact CD1-CD2 4.18Å; I662-W694 HydrophobicContact CD1-CE3 4.27Å; I662-W694 HydrophobicContact CG1-CD2 4.46Å; I662-W694 HydrophobicContact CG1-CE3 4.5Å; I662-W694 HydrophobicContact CG1-CH2 4.35Å; I662-W694 HydrophobicContact CG1-CZ2 4.3Å; I662-W694 HydrophobicContact CG1-CZ3 4.44Å; I662-W694 HydrophobicContact CG2-CH2 4.1Å; I662-W694 HydrophobicContact CG2-CZ2 3.7Å; I662-L700 HydrophobicContact CD1-CD2 4.23Å; I662-L700 HydrophobicContact CD1-CG 4.42Å; I662-L710 HydrophobicContact CD1-CD1 4.46Å
663	V	89.8	Confident	89.6	Confident	39 Å²	39	32.8 Å²	32.8	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-32.7	177.3	171.1	0	0	0	0	111.7	P607 F610 A659 V661 F665 T666	P607-V663 HydrophobicContact CB-CB 4.42Å; P607-V663 HydrophobicContact CB-CG1 3.74Å; P607-V663 HydrophobicContact CG-CB 3.9Å; P607-V663 HydrophobicContact CG-CG1 3.78Å; P607-V663 HydrophobicContact CG-CG2 4.42Å; F610-V663 HydrophobicContact CE2-CG2 4.46Å; F610-V663 HydrophobicContact CZ-CG2 4.29Å; A659-V663 WeakPolarHBondContact O-CB 3.45Å; A659-V663 WeakPolarHBondContact O-CG2 3.22Å; A659-V663 PolarHBondContact O-N 3.25Å; V661-V663 PolarHBondContact O-N 3.27Å; V663-F665 PolarHBondContact O-N 2.79Å; V663-T666 WeakPolarHBondContact O-CB 3.36Å; V663-T666 PolarHBondContact O-N 2.86Å; V663-T666 PolarHBondContact O-OG1 3.29Å
664	Q	90.6	Very high	89.8	Confident	17 Å²	17	34.4 Å²	34.4	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-24.9	175.9	-66.8	-61.7	-14.7	0	0	113.3	A660 V661 I662 T666 E667 K668 W671 L676 L680	A660-Q664 WeakPolarHBondContact O-CG 3.35Å; V661-Q664 PolarHBondContact O-N 2.75Å; I662-Q664 VanDerWaalsContact C-N 3.26Å; I662-Q664 PolarHBondContact O-N 3.39Å; Q664-T666 PolarHBondContact O-N 3.23Å; Q664-E667 PolarHBondContact O-N 2.96Å; Q664-K668 PolarHBondContact O-N 3.48Å; Q664-W671 HydrophobicContact CB-CZ2 4Å; Q664-W671 PolarHBondContact O-NE1 3.41Å; Q664-L676 HydrophobicContact CB-CD1 3.81Å; Q664-L676 HydrophobicContact CG-CD1 4.22Å; Q664-L680 HydrophobicContact CG-CD1 4.34Å; Q664-L680 HydrophobicContact CG-CD2 3.91Å; Q664-L680 HydrophobicContact CG-CG 4.24Å
665	F	90.5	Very high	89.9	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-13.2	175.2	-72.7	-96.9	0	0	0	113.3	V661 I662 V663 K668 W671 L691 L700 L710	V661-F665 HydrophobicContact CG1-CE2 4.36Å; V661-F665 WeakPolarHBondContact O-CD2 3.25Å; I662-F665 WeakPolarHBondContact O-CB 3.45Å; I662-F665 PolarHBondContact O-N 3.45Å; V663-F665 PolarHBondContact O-N 2.79Å; F665-K668 CarbonylContact C-O 3.59Å; F665-K668 VanDerWaalsContact CA-O 3.29Å; F665-K668 WeakPolarHBondContact CA-O 3.47Å; F665-K668 CarbonylContact O-C 3.55Å; F665-W671 AromaticContact CD1-CD1 3.73Å; F665-W671 HydrophobicContact CE1-CB 4.16Å; F665-W671 AromaticContact CE1-CD1 3.72Å; F665-W671 HydrophobicContact CE1-CG 4.34Å; F665-W671 AromaticContact CG-CD1 3.96Å; F665-W671 HydrophobicContact CZ-CB 3.95Å; F665-W671 AromaticContact CZ-CD1 3.92Å; F665-W671 HydrophobicContact CZ-CG 4.28Å; F665-L691 HydrophobicContact CE2-CD2 4.02Å; F665-L691 HydrophobicContact CZ-CD2 4Å; F665-L700 HydrophobicContact CD1-CD2 3.73Å; F665-L700 HydrophobicContact CD2-CD2 4.16Å; F665-L700 HydrophobicContact CE1-CD1 4.45Å; F665-L700 HydrophobicContact CE1-CD2 3.61Å; F665-L700 HydrophobicContact CE2-CD1 3.83Å; F665-L700 HydrophobicContact CE2-CD2 4.06Å; F665-L700 HydrophobicContact CG-CD2 4.01Å; F665-L700 HydrophobicContact CZ-CD1 3.79Å; F665-L700 HydrophobicContact CZ-CD2 3.78Å; F665-L700 HydrophobicContact CZ-CG 4.46Å; F665-L710 HydrophobicContact CB-CD1 3.69Å; F665-L710 HydrophobicContact CD1-CB 4.29Å; F665-L710 HydrophobicContact CD1-CD1 4.37Å; F665-L710 HydrophobicContact CG-CD1 4.25Å
666	T	86.1	Confident	90	Very high	117 Å²	117	40 Å²	40	72%	0.718	22%	0.216	S	C	*	.	H	α-helix	trans	-74.2	-28.2	172.2	69.3	0	0	0	0	112.5	V663 Q664	V663-T666 WeakPolarHBondContact O-CB 3.36Å; V663-T666 PolarHBondContact O-N 2.86Å; V663-T666 PolarHBondContact O-OG1 3.29Å; Q664-T666 PolarHBondContact O-N 3.23Å
667	E	85.6	Confident	90.2	Very high	131 Å²	131	40.5 Å²	40.5	61%	0.612	22%	0.219	S	C	*	.	H	α-helix	trans	-84.9	-39	176.1	-64.7	-170.5	178.7	0	0	112	Q664	Q664-E667 PolarHBondContact O-N 2.96Å
668	K	88.3	Confident	90.3	Very high	127 Å²	127	47.1 Å²	47.1	55%	0.552	25%	0.25	S	S	*	.			trans	-139	127.4	178.8	-67.3	177.4	-175.9	166.8	0	110.6	Q664 F665 T670 W671	Q664-K668 PolarHBondContact O-N 3.48Å; F665-K668 CarbonylContact C-O 3.59Å; F665-K668 VanDerWaalsContact CA-O 3.29Å; F665-K668 WeakPolarHBondContact CA-O 3.47Å; F665-K668 CarbonylContact O-C 3.55Å; K668-T670 PolarHBondContact O-N 3.26Å; K668-W671 HydrophobicContact CB-CZ2 4.07Å; K668-W671 HydrophobicContact CD-CH2 4.31Å; K668-W671 HydrophobicContact CD-CZ2 3.98Å; K668-W671 HydrophobicContact CG-CZ2 4.33Å; K668-W671 VanDerWaalsContact O-CD1 3.25Å; K668-W671 PolarHBondContact O-NE1 3.07Å
669	A	86.7	Confident	90.3	Very high	60 Å²	60	49.1 Å²	49.1	50%	0.496	26%	0.264	S	S	.	.	S	Bend	trans	-67.2	-19.7	-177.9	0	0	0	0	0	114.6	L710	A669-L710 PolarHBondContact O-N 3.42Å
670	T	90.5	Very high	90.1	Very high	69 Å²	69	49.1 Å²	49.1	42%	0.423	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.4	-176.3	67.5	0	0	0	0	111.9	K668 Y708 T709	K668-T670 PolarHBondContact O-N 3.26Å; T670-Y708 WeakPolarHBondContact CA-O 3.36Å; T670-T709 HydrophobicContact CG2-CG2 3.47Å; T670-T709 VanDerWaalsContact CG2-CG2 3.47Å
671	W	93.4	Very high	89.9	Confident	24 Å²	24	52.7 Å²	52.7	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.2	-179.5	-74	93.2	0	0	0	111.6	Q664 F665 K668 K675 L676 Y708	Q664-W671 HydrophobicContact CB-CZ2 4Å; Q664-W671 PolarHBondContact O-NE1 3.41Å; F665-W671 AromaticContact CD1-CD1 3.73Å; F665-W671 HydrophobicContact CE1-CB 4.16Å; F665-W671 AromaticContact CE1-CD1 3.72Å; F665-W671 HydrophobicContact CE1-CG 4.34Å; F665-W671 AromaticContact CG-CD1 3.96Å; F665-W671 HydrophobicContact CZ-CB 3.95Å; F665-W671 AromaticContact CZ-CD1 3.92Å; F665-W671 HydrophobicContact CZ-CG 4.28Å; K668-W671 HydrophobicContact CB-CZ2 4.07Å; K668-W671 HydrophobicContact CD-CH2 4.31Å; K668-W671 HydrophobicContact CD-CZ2 3.98Å; K668-W671 HydrophobicContact CG-CZ2 4.33Å; K668-W671 VanDerWaalsContact O-CD1 3.25Å; K668-W671 PolarHBondContact O-NE1 3.07Å; W671-K675 HydrophobicContact CE3-CB 4.31Å; W671-K675 HydrophobicContact CZ3-CB 4.49Å; W671-L676 HydrophobicContact CB-CD1 4Å; W671-L676 HydrophobicContact CD2-CD1 3.53Å; W671-L676 HydrophobicContact CE3-CB 4.29Å; W671-L676 HydrophobicContact CE3-CD1 3.7Å; W671-L676 HydrophobicContact CG-CD1 3.67Å; W671-L676 HydrophobicContact CZ3-CD1 4.34Å; W671-Y708 PolarHBondContact N-O 2.92Å; W671-Y708 PolarHBondContact O-N 3.46Å
672	T	92.4	Very high	89.7	Confident	41 Å²	41	53.3 Å²	53.3	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145	166.7	27.8	0	0	0	0	108.4	T674 K675 L676 D706 K707	T672-T674 PolarHBondContact O-N 3.47Å; T672-K675 PolarHBondContact O-N 2.85Å; T672-K675 WeakPolarHBondContact OG1-CD 3.41Å; T672-K675 WeakPolarHBondContact OG1-CG 3.43Å; T672-L676 WeakPolarHBondContact O-CB 3.23Å; T672-L676 PolarHBondContact O-N 3.43Å; T672-D706 CarbonylContact C-O 3.38Å; T672-D706 VanDerWaalsContact CA-O 3.24Å; T672-D706 WeakPolarHBondContact CA-O 3.2Å; T672-K707 HydrophobicContact CG2-CB 4.17Å; T672-K707 HydrophobicContact CG2-CG 4.43Å
673	A	91	Very high	89.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.3	-39.8	-175.6	0	0	0	0	0	112.5	L676 S677 L684 R688 L691 D706 Y708	A673-L676 PolarHBondContact O-N 2.98Å; A673-S677 WeakPolarHBondContact O-CB 3.47Å; A673-S677 PolarHBondContact O-N 3.37Å; A673-L684 HydrophobicContact CB-CD1 4.26Å; A673-R688 HydrophobicContact CB-CG 4.09Å; A673-L691 HydrophobicContact CB-CD1 4.24Å; A673-D706 HydrophobicContact CB-CB 4.46Å; A673-D706 PolarHBondContact N-O 2.64Å; A673-Y708 HydrophobicContact CB-CE2 4.19Å
674	T	91.7	Very high	89.4	Confident	63 Å²	63	56.5 Å²	56.5	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-53.6	177.1	50	0	0	0	0	112.3	T672 L676 S677 E678 L684	T672-T674 PolarHBondContact O-N 3.47Å; T674-L676 VanDerWaalsContact C-N 3.27Å; T674-L676 PolarHBondContact O-N 3.46Å; T674-S677 PolarHBondContact O-N 2.93Å; T674-S677 VanDerWaalsContact O-N 3.11Å; T674-S677 PolarHBondContact O-OG 2.83Å; T674-E678 WeakPolarHBondContact O-CG 3.46Å; T674-E678 PolarHBondContact O-N 3Å; T674-L684 HydrophobicContact CG2-CD1 3.94Å
675	K	91.2	Very high	89.2	Confident	128 Å²	128	60.6 Å²	60.6	56%	0.557	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-35.2	178.4	-67.5	-172.9	-177.3	179.3	0	112.8	W671 T672 S679	W671-K675 HydrophobicContact CE3-CB 4.31Å; W671-K675 HydrophobicContact CZ3-CB 4.49Å; T672-K675 PolarHBondContact O-N 2.85Å; T672-K675 WeakPolarHBondContact OG1-CD 3.41Å; T672-K675 WeakPolarHBondContact OG1-CG 3.43Å; K675-S679 VanDerWaalsContact O-CB 3.32Å; K675-S679 WeakPolarHBondContact O-CB 3.39Å; K675-S679 PolarHBondContact O-N 3.04Å
676	L	90.9	Very high	89	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-40.3	176.4	-161.1	86.2	0	0	0	110.8	V661 Q664 W671 T672 A673 T674 S679 L680 T687 L691	V661-L676 HydrophobicContact CB-CD2 4.45Å; V661-L676 HydrophobicContact CG1-CD2 3.89Å; V661-L676 HydrophobicContact CG2-CD2 4.19Å; Q664-L676 HydrophobicContact CB-CD1 3.81Å; Q664-L676 HydrophobicContact CG-CD1 4.22Å; W671-L676 HydrophobicContact CB-CD1 4Å; W671-L676 HydrophobicContact CD2-CD1 3.53Å; W671-L676 HydrophobicContact CE3-CB 4.29Å; W671-L676 HydrophobicContact CE3-CD1 3.7Å; W671-L676 HydrophobicContact CG-CD1 3.67Å; W671-L676 HydrophobicContact CZ3-CD1 4.34Å; T672-L676 WeakPolarHBondContact O-CB 3.23Å; T672-L676 PolarHBondContact O-N 3.43Å; A673-L676 PolarHBondContact O-N 2.98Å; T674-L676 VanDerWaalsContact C-N 3.27Å; T674-L676 PolarHBondContact O-N 3.46Å; L676-S679 PolarHBondContact O-N 3.44Å; L676-L680 HydrophobicContact CD2-CD1 4.4Å; L676-L680 HydrophobicContact CG-CD1 4.15Å; L676-L680 PolarHBondContact O-N 3.06Å; L676-T687 HydrophobicContact CB-CG2 4.15Å; L676-T687 HydrophobicContact CD2-CG2 3.7Å; L676-T687 HydrophobicContact CG-CG2 4.28Å; L676-L691 HydrophobicContact CD2-CD1 4.08Å; L676-L691 HydrophobicContact CD2-CD2 4.03Å; L676-L691 HydrophobicContact CD2-CG 4.18Å
677	S	91.6	Very high	89.2	Confident	16 Å²	16	56.6 Å²	56.6	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.8	79.2	0	0	0	0	111.8	A673 T674 L680 S681 M682	A673-S677 WeakPolarHBondContact O-CB 3.47Å; A673-S677 PolarHBondContact O-N 3.37Å; T674-S677 PolarHBondContact O-N 2.93Å; T674-S677 VanDerWaalsContact O-N 3.11Å; T674-S677 PolarHBondContact O-OG 2.83Å; S677-L680 PolarHBondContact O-N 3.32Å; S677-S681 WeakPolarHBondContact O-CA 3.48Å; S677-S681 PolarHBondContact O-N 2.57Å; S677-M682 WeakPolarHBondContact CB-O 3.41Å; S677-M682 PolarHBondContact O-N 3.42Å
678	E	90.6	Very high	89.4	Confident	141 Å²	141	54.6 Å²	54.6	66%	0.659	30%	0.296	S	S	*	.	H	α-helix	trans	-64.1	-45	174.7	-71.1	168.7	-172.3	0	0	111.2	T674 L680 S681	T674-E678 WeakPolarHBondContact O-CG 3.46Å; T674-E678 PolarHBondContact O-N 3Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.49Å; E678-S681 PolarHBondContact O-N 2.94Å
679	S	89.4	Confident	89.3	Confident	41 Å²	41	54.7 Å²	54.7	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-32.9	-179	-176.8	0	0	0	0	113.6	K675 L676	K675-S679 VanDerWaalsContact O-CB 3.32Å; K675-S679 WeakPolarHBondContact O-CB 3.39Å; K675-S679 PolarHBondContact O-N 3.04Å; L676-S679 PolarHBondContact O-N 3.44Å
680	L	87.1	Confident	89.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-98.9	0.7	-179.9	-66.3	173.5	0	0	0	112.2	F604 E605 A660 V661 Q664 L676 S677 E678 M682	F604-L680 CarbonylContact C-O 3.56Å; F604-L680 WeakPolarHBondContact CA-O 3.28Å; F604-L680 WeakPolarHBondContact CB-O 3.16Å; E605-L680 PolarHBondContact N-O 3.17Å; E605-L680 WeakPolarHBondContact O-CD2 3.46Å; A660-L680 HydrophobicContact CB-CD2 4.14Å; V661-L680 HydrophobicContact CG2-CD1 3.87Å; Q664-L680 HydrophobicContact CG-CD1 4.34Å; Q664-L680 HydrophobicContact CG-CD2 3.91Å; Q664-L680 HydrophobicContact CG-CG 4.24Å; L676-L680 HydrophobicContact CD2-CD1 4.4Å; L676-L680 HydrophobicContact CG-CD1 4.15Å; L676-L680 PolarHBondContact O-N 3.06Å; S677-L680 PolarHBondContact O-N 3.32Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.49Å; L680-M682 HydrophobicContact CB-CB 4.37Å; L680-M682 HydrophobicContact CB-CG 3.87Å; L680-M682 HydrophobicContact CB-SD 4.1Å; L680-M682 HydrophobicContact CD1-SD 4.2Å; L680-M682 PolarHBondContact O-N 2.81Å
681	S	88.3	Confident	89.6	Confident	75 Å²	75	48.8 Å²	48.8	52%	0.524	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	41.1	-172.1	-59	0	0	0	0	112.8	S677 E678	S677-S681 WeakPolarHBondContact O-CA 3.48Å; S677-S681 PolarHBondContact O-N 2.57Å; E678-S681 PolarHBondContact O-N 2.94Å
682	M	85.6	Confident	89.4	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.069	27%	0.266	C	S	.	.			trans	-105.4	157.2	-177.6	-78.7	-171.9	58.6	0	0	112	F604 S677 L680 I686 T687 R690	F604-M682 HydrophobicContact CB-CG 3.38Å; F604-M682 HydrophobicContact CB-SD 4.13Å; F604-M682 HydrophobicContact CG-CG 4.31Å; F604-M682 HydrophobicContact CG-SD 4.49Å; S677-M682 WeakPolarHBondContact CB-O 3.41Å; S677-M682 PolarHBondContact O-N 3.42Å; L680-M682 HydrophobicContact CB-CB 4.37Å; L680-M682 HydrophobicContact CB-CG 3.87Å; L680-M682 HydrophobicContact CB-SD 4.1Å; L680-M682 HydrophobicContact CD1-SD 4.2Å; L680-M682 PolarHBondContact O-N 2.81Å; M682-I686 HydrophobicContact CE-CB 3.95Å; M682-I686 HydrophobicContact CE-CG2 3.53Å; M682-T687 WeakPolarHBondContact CB-OG1 3.33Å; M682-R690 PolarHBondContact SD-NH1 3.3Å
683	S	87.7	Confident	89.3	Confident	60 Å²	60	50 Å²	50	42%	0.42	26%	0.259	S	S	.	.			trans	-67.1	138.1	169.3	81	0	0	0	0	111.3	N685 I686 T687	S683-N685 PolarHBondContact O-N 2.99Å; S683-I686 PolarHBondContact O-N 3.4Å; S683-I686 VanDerWaalsContact O-N 3.14Å; S683-I686 WeakPolarHBondContact OG-CB 3.35Å; S683-I686 VanDerWaalsContact OG-CD1 3.27Å; S683-I686 WeakPolarHBondContact OG-CD1 3.49Å; S683-I686 WeakPolarHBondContact OG-CG1 3.5Å; S683-I686 PolarHBondContact OG-N 3.33Å; S683-T687 PolarHBondContact O-N 2.88Å; S683-T687 PolarHBondContact O-OG1 3.36Å
684	L	87.4	Confident	89.2	Confident	55 Å²	55	50 Å²	50	29%	0.288	26%	0.259	S	S	.	.	H	α-helix	trans	-56.9	-36.6	-177.7	-169.4	74.4	0	0	0	112.6	A673 T674 T687 R688	A673-L684 HydrophobicContact CB-CD1 4.26Å; T674-L684 HydrophobicContact CG2-CD1 3.94Å; L684-T687 PolarHBondContact O-N 2.85Å; L684-R688 WeakPolarHBondContact O-CB 3.28Å; L684-R688 WeakPolarHBondContact O-CG 3.34Å; L684-R688 PolarHBondContact O-N 3.49Å
685	N	87.5	Confident	89.1	Confident	102 Å²	102	49.3 Å²	49.3	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-46.2	179	-77.7	-12.9	0	0	0	111.6	S683 R688 R689	S683-N685 PolarHBondContact O-N 2.99Å; N685-R688 PolarHBondContact O-N 3.26Å; N685-R689 WeakPolarHBondContact O-CG 3.49Å; N685-R689 PolarHBondContact O-N 3.19Å
686	I	86.3	Confident	88.9	Confident	41 Å²	41	51.9 Å²	51.9	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-40	179.3	-59.2	170.2	0	0	0	109.9	E602 M682 S683 R688 R689 R690	E602-I686 HydrophobicContact CG-CD1 4.29Å; E602-I686 WeakPolarHBondContact OE1-CD1 3.13Å; E602-I686 WeakPolarHBondContact OE1-CG2 3.46Å; M682-I686 HydrophobicContact CE-CB 3.95Å; M682-I686 HydrophobicContact CE-CG2 3.53Å; S683-I686 PolarHBondContact O-N 3.4Å; S683-I686 VanDerWaalsContact O-N 3.14Å; S683-I686 WeakPolarHBondContact OG-CB 3.35Å; S683-I686 VanDerWaalsContact OG-CD1 3.27Å; S683-I686 WeakPolarHBondContact OG-CD1 3.49Å; S683-I686 WeakPolarHBondContact OG-CG1 3.5Å; S683-I686 PolarHBondContact OG-N 3.33Å; I686-R688 VanDerWaalsContact C-N 3.33Å; I686-R688 PolarHBondContact O-N 3.35Å; I686-R689 PolarHBondContact O-N 2.9Å; I686-R690 HydrophobicContact CG2-CG 4.34Å; I686-R690 WeakPolarHBondContact O-CG 3.3Å; I686-R690 PolarHBondContact O-N 3.42Å
687	T	89.1	Confident	88.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.7	-45	173.9	-51.5	0	0	0	0	111.8	L676 M682 S683 L684 R690 L691	L676-T687 HydrophobicContact CB-CG2 4.15Å; L676-T687 HydrophobicContact CD2-CG2 3.7Å; L676-T687 HydrophobicContact CG-CG2 4.28Å; M682-T687 WeakPolarHBondContact CB-OG1 3.33Å; S683-T687 PolarHBondContact O-N 2.88Å; S683-T687 PolarHBondContact O-OG1 3.36Å; L684-T687 PolarHBondContact O-N 2.85Å; T687-R690 PolarHBondContact O-N 2.99Å; T687-L691 HydrophobicContact CG2-CD1 4.03Å; T687-L691 WeakPolarHBondContact O-CB 3.17Å; T687-L691 VanDerWaalsContact O-CG 3.28Å; T687-L691 WeakPolarHBondContact O-CG 3.3Å; T687-L691 PolarHBondContact O-N 2.99Å
688	R	90.2	Very high	88	Confident	89 Å²	89	52.9 Å²	52.9	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-39.9	177.3	-78.7	-178.2	177.5	146.2	-0.4	113	A673 L684 N685 I686 L691 S692 D706	A673-R688 HydrophobicContact CB-CG 4.09Å; L684-R688 WeakPolarHBondContact O-CB 3.28Å; L684-R688 WeakPolarHBondContact O-CG 3.34Å; L684-R688 PolarHBondContact O-N 3.49Å; N685-R688 PolarHBondContact O-N 3.26Å; I686-R688 VanDerWaalsContact C-N 3.33Å; I686-R688 PolarHBondContact O-N 3.35Å; R688-L691 PolarHBondContact O-N 3.48Å; R688-S692 WeakPolarHBondContact O-CB 3.18Å; R688-S692 PolarHBondContact O-N 2.88Å; R688-S692 PolarHBondContact O-OG 3.39Å; R688-D706 IonicContact CZ-OD1 3.53Å; R688-D706 IonicContact CZ-OD2 2.81Å; R688-D706 IonicContact NE-OD1 3.64Å; R688-D706 PolarHBondContact NE-OD1 3.37Å; R688-D706 VanDerWaalsContact NE-OD1 3.1Å; R688-D706 IonicContact NE-OD2 3.67Å; R688-D706 IonicContact NH2-OD1 3.84Å; R688-D706 IonicContact NH2-OD2 2.63Å; R688-D706 PolarHBondContact NH2-OD2 3.15Å
689	R	87.6	Confident	87.8	Confident	130 Å²	130	46.3 Å²	46.3	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-49	175.6	-71.5	179.5	-166.4	166.6	4.3	111.2	N685 I686 L691 S692 W693 F732	N685-R689 WeakPolarHBondContact O-CG 3.49Å; N685-R689 PolarHBondContact O-N 3.19Å; I686-R689 PolarHBondContact O-N 2.9Å; R689-L691 PolarHBondContact O-N 3.28Å; R689-S692 WeakPolarHBondContact O-CB 3.44Å; R689-S692 PolarHBondContact O-N 3.5Å; R689-S692 VanDerWaalsContact O-N 3.12Å; R689-W693 PolarHBondContact O-N 3Å; R689-F732 HydrophobicContact CB-CG 4.47Å
690	R	90.7	Very high	87.7	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-41.8	177.1	-72.2	-172.3	-177.6	145.2	13.4	112.3	E602 G657 L658 V661 M682 I686 T687 W693 W694 E729	E602-R690 IonicContact OE1-CZ 2.82Å; E602-R690 IonicContact OE1-NH1 4Å; E602-R690 IonicContact OE1-NH2 3.64Å; E602-R690 IonicContact OE2-CZ 2.64Å; E602-R690 IonicContact OE2-NH1 3.03Å; E602-R690 IonicContact OE2-NH2 2.79Å; E602-R690 PolarHBondContact OE2-NH2 3.17Å; G657-R690 VanDerWaalsContact CA-NH1 3.34Å; L658-R690 HydrophobicContact CD2-CB 3.76Å; L658-R690 HydrophobicContact CD2-CG 3.86Å; L658-R690 HydrophobicContact CG-CG 4.28Å; V661-R690 HydrophobicContact CG2-CB 4.15Å; M682-R690 PolarHBondContact SD-NH1 3.3Å; I686-R690 HydrophobicContact CG2-CG 4.34Å; I686-R690 WeakPolarHBondContact O-CG 3.3Å; I686-R690 PolarHBondContact O-N 3.42Å; T687-R690 PolarHBondContact O-N 2.99Å; R690-W693 WeakPolarHBondContact O-CB 3.15Å; R690-W693 PolarHBondContact O-N 2.7Å; R690-W694 PolarHBondContact O-N 3.36Å; R690-E729 IonicContact CZ-OE1 3.12Å; R690-E729 IonicContact CZ-OE2 3.59Å; R690-E729 IonicContact NE-OE1 2.79Å; R690-E729 PolarHBondContact NE-OE1 3.04Å; R690-E729 IonicContact NE-OE2 2.77Å; R690-E729 PolarHBondContact NE-OE2 3.18Å; R690-E729 VanDerWaalsContact NE-OE2 3.17Å; R690-E729 IonicContact NH2-OE1 3.02Å; R690-E729 PolarHBondContact NH2-OE1 2.94Å; R690-E729 IonicContact NH2-OE2 2.7Å; R690-E729 PolarHBondContact NH2-OE2 3.46Å
691	L	91.2	Very high	87.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-41.7	173.2	-77.4	167.2	0	0	0	112.1	V661 F665 A673 L676 T687 R688 R689 W693 W694 V695 L700 Y708	V661-L691 HydrophobicContact CG1-CD2 3.87Å; V661-L691 HydrophobicContact CG1-CG 4.31Å; F665-L691 HydrophobicContact CE2-CD2 4.02Å; F665-L691 HydrophobicContact CZ-CD2 4Å; A673-L691 HydrophobicContact CB-CD1 4.24Å; L676-L691 HydrophobicContact CD2-CD1 4.08Å; L676-L691 HydrophobicContact CD2-CD2 4.03Å; L676-L691 HydrophobicContact CD2-CG 4.18Å; T687-L691 HydrophobicContact CG2-CD1 4.03Å; T687-L691 WeakPolarHBondContact O-CB 3.17Å; T687-L691 VanDerWaalsContact O-CG 3.28Å; T687-L691 WeakPolarHBondContact O-CG 3.3Å; T687-L691 PolarHBondContact O-N 2.99Å; R688-L691 PolarHBondContact O-N 3.48Å; R689-L691 PolarHBondContact O-N 3.28Å; L691-W693 VanDerWaalsContact C-N 3.29Å; L691-W693 PolarHBondContact O-N 3.02Å; L691-W694 PolarHBondContact O-N 2.98Å; L691-V695 WeakPolarHBondContact O-CG2 3.43Å; L691-V695 PolarHBondContact O-N 3.18Å; L691-L700 HydrophobicContact CD2-CD1 3.62Å; L691-Y708 HydrophobicContact CB-CD1 4.18Å; L691-Y708 HydrophobicContact CB-CE1 3.83Å; L691-Y708 HydrophobicContact CD1-CD2 3.79Å; L691-Y708 HydrophobicContact CD1-CE1 4.47Å; L691-Y708 HydrophobicContact CD1-CE2 3.71Å; L691-Y708 HydrophobicContact CD1-CG 4.24Å; L691-Y708 HydrophobicContact CD2-CD1 4.24Å; L691-Y708 HydrophobicContact CD2-CD2 4.44Å; L691-Y708 HydrophobicContact CD2-CG 4.08Å
692	S	89.4	Confident	87.7	Confident	63 Å²	63	50 Å²	50	44%	0.441	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-35	179.2	-57.6	0	0	0	0	112	R688 R689 V695 K696	R688-S692 WeakPolarHBondContact O-CB 3.18Å; R688-S692 PolarHBondContact O-N 2.88Å; R688-S692 PolarHBondContact O-OG 3.39Å; R689-S692 WeakPolarHBondContact O-CB 3.44Å; R689-S692 PolarHBondContact O-N 3.5Å; R689-S692 VanDerWaalsContact O-N 3.12Å; S692-V695 PolarHBondContact O-N 3.24Å; S692-K696 WeakPolarHBondContact O-CB 3.35Å; S692-K696 PolarHBondContact O-N 3.17Å
693	W	90.2	Very high	87.5	Confident	27 Å²	27	52 Å²	52	10%	0.102	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.6	-168.4	81.9	0	0	0	112.5	V652 V654 L658 R689 R690 L691 V695 K696 N697 I724 C726 F732	V652-W693 HydrophobicContact CG1-CH2 4.32Å; V654-W693 HydrophobicContact CG1-CH2 3.65Å; V654-W693 HydrophobicContact CG1-CZ3 3.89Å; L658-W693 HydrophobicContact CD1-CD2 4.14Å; L658-W693 HydrophobicContact CD1-CE3 4.08Å; L658-W693 HydrophobicContact CD1-CZ3 4.4Å; L658-W693 HydrophobicContact CD2-CB 4.17Å; L658-W693 HydrophobicContact CD2-CD2 4.21Å; L658-W693 HydrophobicContact CD2-CE3 3.87Å; L658-W693 HydrophobicContact CD2-CG 4.38Å; R689-W693 PolarHBondContact O-N 3Å; R690-W693 WeakPolarHBondContact O-CB 3.15Å; R690-W693 PolarHBondContact O-N 2.7Å; L691-W693 VanDerWaalsContact C-N 3.29Å; L691-W693 PolarHBondContact O-N 3.02Å; W693-V695 VanDerWaalsContact C-N 3.28Å; W693-V695 PolarHBondContact O-N 3.35Å; W693-K696 WeakPolarHBondContact O-CB 3.43Å; W693-K696 PolarHBondContact O-N 3.2Å; W693-N697 WeakPolarHBondContact CZ2-ND2 3.24Å; W693-N697 PolarHBondContact NE1-ND2 2.87Å; W693-N697 PolarHBondContact O-N 2.84Å; W693-N697 PolarHBondContact O-ND2 3.43Å; W693-I724 HydrophobicContact CH2-CG2 3.92Å; W693-I724 HydrophobicContact CZ2-CG2 4.01Å; W693-C726 HydrophobicContact CH2-CB 4.06Å; W693-C726 HydrophobicContact CZ2-CB 3.37Å; W693-F732 HydrophobicContact CB-CE1 3.54Å; W693-F732 HydrophobicContact CB-CZ 3.74Å; W693-F732 AromaticContact CD1-CE1 3.39Å; W693-F732 AromaticContact CD1-CZ 3.59Å; W693-F732 AromaticContact CG-CE1 3.69Å; W693-F732 HydrophobicContact CG-CE1 3.69Å; W693-F732 AromaticContact CG-CZ 3.71Å; W693-F732 HydrophobicContact CG-CZ 3.71Å
694	W	90.1	Very high	87	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-31.7	177.6	-75.4	117.5	0	0	0	112.6	L643 V652 V654 L658 I662 R690 L691 G698 F699 L700	L643-W694 HydrophobicContact CD1-CH2 3.94Å; L643-W694 HydrophobicContact CD1-CZ3 3.69Å; V652-W694 HydrophobicContact CG1-CH2 4.35Å; V654-W694 HydrophobicContact CG1-CH2 4.11Å; V654-W694 HydrophobicContact CG1-CZ2 4.3Å; V654-W694 HydrophobicContact CG2-CH2 4.38Å; V654-W694 HydrophobicContact CG2-CZ2 4.18Å; L658-W694 HydrophobicContact CB-CZ2 4.1Å; L658-W694 PolarHBondContact O-NE1 3.36Å; I662-W694 HydrophobicContact CB-CD2 4.37Å; I662-W694 HydrophobicContact CB-CH2 4.26Å; I662-W694 HydrophobicContact CB-CZ2 3.75Å; I662-W694 HydrophobicContact CD1-CD2 4.18Å; I662-W694 HydrophobicContact CD1-CE3 4.27Å; I662-W694 HydrophobicContact CG1-CD2 4.46Å; I662-W694 HydrophobicContact CG1-CE3 4.5Å; I662-W694 HydrophobicContact CG1-CH2 4.35Å; I662-W694 HydrophobicContact CG1-CZ2 4.3Å; I662-W694 HydrophobicContact CG1-CZ3 4.44Å; I662-W694 HydrophobicContact CG2-CH2 4.1Å; I662-W694 HydrophobicContact CG2-CZ2 3.7Å; R690-W694 PolarHBondContact O-N 3.36Å; L691-W694 PolarHBondContact O-N 2.98Å; W694-G698 PolarHBondContact O-N 3.2Å; W694-F699 HydrophobicContact CE3-CB 3.95Å; W694-F699 AromaticContact CE3-CD2 3.48Å; W694-F699 HydrophobicContact CE3-CD2 3.48Å; W694-F699 VanDerWaalsContact CE3-CD2 3.48Å; W694-F699 HydrophobicContact CE3-CE2 4.17Å; W694-F699 AromaticContact CE3-CG 3.82Å; W694-F699 HydrophobicContact CE3-CG 3.82Å; W694-F699 AromaticContact CZ3-CD2 3.66Å; W694-F699 HydrophobicContact CZ3-CD2 3.66Å; W694-F699 AromaticContact CZ3-CE2 3.9Å; W694-F699 HydrophobicContact CZ3-CE2 3.9Å; W694-F699 HydrophobicContact CZ3-CG 4.05Å; W694-F699 PolarHBondContact O-N 3.3Å; W694-F699 VanDerWaalsContact O-N 3.08Å; W694-L700 HydrophobicContact CB-CB 4.39Å; W694-L700 HydrophobicContact CB-CD1 3.57Å; W694-L700 HydrophobicContact CB-CG 3.86Å; W694-L700 HydrophobicContact CG-CD1 4.29Å; W694-L700 PolarHBondContact O-N 3.12Å
695	V	88.9	Confident	86.6	Confident	49 Å²	49	55 Å²	55	30%	0.297	29%	0.29	S	S	.	.	H	α-helix	trans	-67.1	-45.9	170.6	174	0	0	0	0	110.8	L691 S692 W693 N697 G698 L700 Y708	L691-V695 WeakPolarHBondContact O-CG2 3.43Å; L691-V695 PolarHBondContact O-N 3.18Å; S692-V695 PolarHBondContact O-N 3.24Å; W693-V695 VanDerWaalsContact C-N 3.28Å; W693-V695 PolarHBondContact O-N 3.35Å; V695-N697 VanDerWaalsContact C-N 3.26Å; V695-N697 PolarHBondContact O-N 3Å; V695-G698 PolarHBondContact O-N 2.87Å; V695-L700 WeakPolarHBondContact CA-O 3.15Å; V695-L700 HydrophobicContact CG2-CB 3.86Å; V695-Y708 HydrophobicContact CG2-CD1 3.86Å; V695-Y708 HydrophobicContact CG2-CE1 3.94Å
696	K	86.3	Confident	86.5	Confident	182 Å²	182	51.9 Å²	51.9	79%	0.791	27%	0.273	S	S	*	.	H	α-helix	trans	-59.5	-36.4	178	-176.8	177.8	178.7	176.7	0	112.4	S692 W693 G698	S692-K696 WeakPolarHBondContact O-CB 3.35Å; S692-K696 PolarHBondContact O-N 3.17Å; W693-K696 WeakPolarHBondContact O-CB 3.43Å; W693-K696 PolarHBondContact O-N 3.2Å; K696-G698 VanDerWaalsContact C-N 3.28Å; K696-G698 PolarHBondContact O-N 3.47Å
697	N	82.8	Confident	86.6	Confident	27 Å²	27	54.7 Å²	54.7	14%	0.144	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	11.1	176.4	-66.8	-75.8	0	0	0	113.5	W693 V695 F699 I717	W693-N697 WeakPolarHBondContact CZ2-ND2 3.24Å; W693-N697 PolarHBondContact NE1-ND2 2.87Å; W693-N697 PolarHBondContact O-N 2.84Å; W693-N697 PolarHBondContact O-ND2 3.43Å; V695-N697 VanDerWaalsContact C-N 3.26Å; V695-N697 PolarHBondContact O-N 3Å; N697-F699 VanDerWaalsContact C-N 3.33Å; N697-F699 HydrophobicContact CB-CD2 3.77Å; N697-F699 HydrophobicContact CB-CE2 3.87Å; N697-F699 VanDerWaalsContact O-CD2 3.24Å; N697-F699 WeakPolarHBondContact O-CD2 3.44Å; N697-F699 WeakPolarHBondContact O-CE2 3.44Å; N697-F699 PolarHBondContact O-N 3.35Å; N697-I717 HydrophobicContact CB-CD1 3.97Å; N697-I717 WeakPolarHBondContact O-CD1 3.01Å
698	G	81.6	Confident	86.8	Confident	9 Å²	9	54.9 Å²	54.9	9%	0.093	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	5.5	168.2	0	0	0	0	0	116.6	W694 V695 K696 R711	W694-G698 PolarHBondContact O-N 3.2Å; V695-G698 PolarHBondContact O-N 2.87Å; K696-G698 VanDerWaalsContact C-N 3.28Å; K696-G698 PolarHBondContact O-N 3.47Å; G698-R711 VanDerWaalsContact O-CD 3.32Å; G698-R711 WeakPolarHBondContact O-CD 3.26Å
699	F	85.5	Confident	86.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.018	28%	0.278	C	S	.	.	S	Bend	trans	-83.1	-33.4	-179.3	-66.5	-80.1	0	0	0	113	L643 L645 C650 V652 W694 N697 R711 I717 I724	L643-F699 HydrophobicContact CB-CE1 4.27Å; L643-F699 HydrophobicContact CD1-CD1 3.87Å; L643-F699 HydrophobicContact CD1-CE1 3.67Å; L643-F699 HydrophobicContact CD1-CG 4.5Å; L643-F699 HydrophobicContact CD1-CZ 4.12Å; L645-F699 HydrophobicContact CD1-CD1 3.46Å; L645-F699 VanDerWaalsContact CD1-CD1 3.46Å; L645-F699 HydrophobicContact CD1-CE1 3.9Å; C650-F699 HydrophobicContact CB-CE1 4.35Å; C650-F699 HydrophobicContact CB-CZ 4.29Å; V652-F699 HydrophobicContact CG2-CZ 4.39Å; W694-F699 HydrophobicContact CE3-CB 3.95Å; W694-F699 AromaticContact CE3-CD2 3.48Å; W694-F699 HydrophobicContact CE3-CD2 3.48Å; W694-F699 VanDerWaalsContact CE3-CD2 3.48Å; W694-F699 HydrophobicContact CE3-CE2 4.17Å; W694-F699 AromaticContact CE3-CG 3.82Å; W694-F699 HydrophobicContact CE3-CG 3.82Å; W694-F699 AromaticContact CZ3-CD2 3.66Å; W694-F699 HydrophobicContact CZ3-CD2 3.66Å; W694-F699 AromaticContact CZ3-CE2 3.9Å; W694-F699 HydrophobicContact CZ3-CE2 3.9Å; W694-F699 HydrophobicContact CZ3-CG 4.05Å; W694-F699 PolarHBondContact O-N 3.3Å; W694-F699 VanDerWaalsContact O-N 3.08Å; N697-F699 VanDerWaalsContact C-N 3.33Å; N697-F699 HydrophobicContact CB-CD2 3.77Å; N697-F699 HydrophobicContact CB-CE2 3.87Å; N697-F699 VanDerWaalsContact O-CD2 3.24Å; N697-F699 WeakPolarHBondContact O-CD2 3.44Å; N697-F699 WeakPolarHBondContact O-CE2 3.44Å; N697-F699 PolarHBondContact O-N 3.35Å; F699-R711 PolarHBondContact O-N 3.49Å; F699-I717 HydrophobicContact CE2-CD1 4.35Å; F699-I724 HydrophobicContact CE2-CD1 3.96Å; F699-I724 HydrophobicContact CZ-CD1 3.99Å
700	L	88.7	Confident	86.7	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.1	-179.1	-63.9	-178.9	0	0	0	111.5	I662 F665 L691 W694 V695 L710	I662-L700 HydrophobicContact CD1-CD2 4.23Å; I662-L700 HydrophobicContact CD1-CG 4.42Å; F665-L700 HydrophobicContact CD1-CD2 3.73Å; F665-L700 HydrophobicContact CD2-CD2 4.16Å; F665-L700 HydrophobicContact CE1-CD1 4.45Å; F665-L700 HydrophobicContact CE1-CD2 3.61Å; F665-L700 HydrophobicContact CE2-CD1 3.83Å; F665-L700 HydrophobicContact CE2-CD2 4.06Å; F665-L700 HydrophobicContact CG-CD2 4.01Å; F665-L700 HydrophobicContact CZ-CD1 3.79Å; F665-L700 HydrophobicContact CZ-CD2 3.78Å; F665-L700 HydrophobicContact CZ-CG 4.46Å; L691-L700 HydrophobicContact CD2-CD1 3.62Å; W694-L700 HydrophobicContact CB-CB 4.39Å; W694-L700 HydrophobicContact CB-CD1 3.57Å; W694-L700 HydrophobicContact CB-CG 3.86Å; W694-L700 HydrophobicContact CG-CD1 4.29Å; W694-L700 PolarHBondContact O-N 3.12Å; V695-L700 WeakPolarHBondContact CA-O 3.15Å; V695-L700 HydrophobicContact CG2-CB 3.86Å; L700-L710 HydrophobicContact CD2-CD1 4.1Å
701	L	87.3	Confident	86.1	Confident	76 Å²	76	52 Å²	52	40%	0.398	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129	174.7	-132.5	128.8	0	0	0	110	S703 Y708 T709 R711	L701-S703 PolarHBondContact O-N 3.48Å; L701-Y708 WeakPolarHBondContact O-CA 3.47Å; L701-T709 PolarHBondContact N-O 3.49Å; L701-T709 PolarHBondContact O-N 3.05Å; L701-R711 HydrophobicContact CD1-CG 3.91Å
702	K	87.7	Confident	85.1	Confident	112 Å²	112	57.1 Å²	57.1	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	101.4	175.1	-169.5	178	-178.1	178.8	0	109.3	G704 V705 K707 Y708	K702-G704 WeakPolarHBondContact CE-O 3.25Å; K702-G704 WeakPolarHBondContact CG-O 3.32Å; K702-G704 PolarHBondContact O-N 3.09Å; K702-V705 WeakPolarHBondContact CE-O 3.47Å; K702-V705 PolarHBondContact NZ-O 3.18Å; K702-K707 CarbonylContact C-O 3.55Å; K702-Y708 HydrophobicContact CB-CD1 4.41Å; K702-Y708 HydrophobicContact CB-CE1 4.29Å; K702-Y708 HydrophobicContact CD-CE1 4.36Å; K702-Y708 HydrophobicContact CG-CD1 4.47Å; K702-Y708 HydrophobicContact CG-CE1 4.08Å
703	S	80.8	Confident	83.8	Confident	57 Å²	57	61.4 Å²	61.4	40%	0.399	33%	0.331	S	S	.	.			trans	-99.5	63.6	-178.9	-55.9	0	0	0	0	111	L701 K707 T709	L701-S703 PolarHBondContact O-N 3.48Å; S703-K707 CarbonylContact C-O 3.52Å; S703-K707 PolarHBondContact N-O 3.45Å; S703-K707 WeakPolarHBondContact O-CB 3.48Å; S703-T709 WeakPolarHBondContact CB-OG1 3.47Å; S703-T709 PolarHBondContact OG-OG1 2.9Å
704	G	78.3	Confident	82.2	Confident	48 Å²	48	61.1 Å²	61.1	50%	0.495	33%	0.334	S	S	.	.	S	Bend	trans	121.8	-165.2	179.2	0	0	0	0	0	113.6	K702 D706	K702-G704 WeakPolarHBondContact CE-O 3.25Å; K702-G704 WeakPolarHBondContact CG-O 3.32Å; K702-G704 PolarHBondContact O-N 3.09Å; G704-D706 VanDerWaalsContact C-N 3.33Å; G704-D706 PolarHBondContact O-N 3.35Å
705	V	77.5	Confident	80.5	Confident	131 Å²	131	66.8 Å²	66.8	79%	0.794	36%	0.361	S	S	*	.	S	Bend	trans	-64.2	-37.8	-173.5	-171.8	0	0	0	0	112	K702	K702-V705 WeakPolarHBondContact CE-O 3.47Å; K702-V705 PolarHBondContact NZ-O 3.18Å
706	D	85.5	Confident	78.7	Confident	36 Å²	36	69 Å²	69	19%	0.193	38%	0.376	C	S	.	.	S	Bend	trans	-149.9	22.6	-172.9	-114	-3.9	0	0	0	113.6	T672 A673 R688 G704	T672-D706 CarbonylContact C-O 3.38Å; T672-D706 VanDerWaalsContact CA-O 3.24Å; T672-D706 WeakPolarHBondContact CA-O 3.2Å; A673-D706 HydrophobicContact CB-CB 4.46Å; A673-D706 PolarHBondContact N-O 2.64Å; R688-D706 IonicContact CZ-OD1 3.53Å; R688-D706 IonicContact CZ-OD2 2.81Å; R688-D706 IonicContact NE-OD1 3.64Å; R688-D706 PolarHBondContact NE-OD1 3.37Å; R688-D706 VanDerWaalsContact NE-OD1 3.1Å; R688-D706 IonicContact NE-OD2 3.67Å; R688-D706 IonicContact NH2-OD1 3.84Å; R688-D706 IonicContact NH2-OD2 2.63Å; R688-D706 PolarHBondContact NH2-OD2 3.15Å; G704-D706 VanDerWaalsContact C-N 3.33Å; G704-D706 PolarHBondContact O-N 3.35Å
707	K	90.1	Very high	77.1	Confident	100 Å²	100	63.8 Å²	63.8	44%	0.435	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.2	-179.5	-176.2	-179.6	-178.5	-176.7	0	110	T672 K702 S703	T672-K707 HydrophobicContact CG2-CB 4.17Å; T672-K707 HydrophobicContact CG2-CG 4.43Å; K702-K707 CarbonylContact C-O 3.55Å; S703-K707 CarbonylContact C-O 3.52Å; S703-K707 PolarHBondContact N-O 3.45Å; S703-K707 WeakPolarHBondContact O-CB 3.48Å
708	Y	92.7	Very high	75.4	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.016	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.4	-174.4	-61.2	-97.7	0	0	0	109.5	T670 W671 A673 L691 V695 L701 K702	T670-Y708 WeakPolarHBondContact CA-O 3.36Å; W671-Y708 PolarHBondContact N-O 2.92Å; W671-Y708 PolarHBondContact O-N 3.46Å; A673-Y708 HydrophobicContact CB-CE2 4.19Å; L691-Y708 HydrophobicContact CB-CD1 4.18Å; L691-Y708 HydrophobicContact CB-CE1 3.83Å; L691-Y708 HydrophobicContact CD1-CD2 3.79Å; L691-Y708 HydrophobicContact CD1-CE1 4.47Å; L691-Y708 HydrophobicContact CD1-CE2 3.71Å; L691-Y708 HydrophobicContact CD1-CG 4.24Å; L691-Y708 HydrophobicContact CD2-CD1 4.24Å; L691-Y708 HydrophobicContact CD2-CD2 4.44Å; L691-Y708 HydrophobicContact CD2-CG 4.08Å; V695-Y708 HydrophobicContact CG2-CD1 3.86Å; V695-Y708 HydrophobicContact CG2-CE1 3.94Å; L701-Y708 WeakPolarHBondContact O-CA 3.47Å; K702-Y708 HydrophobicContact CB-CD1 4.41Å; K702-Y708 HydrophobicContact CB-CE1 4.29Å; K702-Y708 HydrophobicContact CD-CE1 4.36Å; K702-Y708 HydrophobicContact CG-CD1 4.47Å; K702-Y708 HydrophobicContact CG-CE1 4.08Å
709	T	89.2	Confident	74	Confident	35 Å²	35	73.9 Å²	73.9	22%	0.215	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.9	-170.7	-35.3	0	0	0	0	108.1	T670 L701 S703	T670-T709 HydrophobicContact CG2-CG2 3.47Å; T670-T709 VanDerWaalsContact CG2-CG2 3.47Å; L701-T709 PolarHBondContact N-O 3.49Å; L701-T709 PolarHBondContact O-N 3.05Å; S703-T709 WeakPolarHBondContact CB-OG1 3.47Å; S703-T709 PolarHBondContact OG-OG1 2.9Å
710	L	85.4	Confident	72	Confident	65 Å²	65	82.9 Å²	82.9	34%	0.34	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.9	172.6	-162	92.5	0	0	0	109.5	L645 I662 F665 A669 L700	L645-L710 HydrophobicContact CD2-CD2 4.01Å; L645-L710 HydrophobicContact CD2-CG 4.16Å; I662-L710 HydrophobicContact CD1-CD1 4.46Å; F665-L710 HydrophobicContact CB-CD1 3.69Å; F665-L710 HydrophobicContact CD1-CB 4.29Å; F665-L710 HydrophobicContact CD1-CD1 4.37Å; F665-L710 HydrophobicContact CG-CD1 4.25Å; A669-L710 PolarHBondContact O-N 3.42Å; L700-L710 HydrophobicContact CD2-CD1 4.1Å
711	R	78.8	Confident	70.6	Confident	62 Å²	62	86.6 Å²	86.6	23%	0.234	49%	0.491	C	S	.	.			trans	-76.8	147.2	176.7	-147.8	170.4	-159.7	-175.3	0.6	110.1	L645 G698 F699 L701 E713 E715	L645-R711 WeakPolarHBondContact CD2-O 3.25Å; G698-R711 VanDerWaalsContact O-CD 3.32Å; G698-R711 WeakPolarHBondContact O-CD 3.26Å; F699-R711 PolarHBondContact O-N 3.49Å; L701-R711 HydrophobicContact CD1-CG 3.91Å; R711-E713 VanDerWaalsContact CD-O 3.25Å; R711-E713 WeakPolarHBondContact CD-O 3.33Å; R711-E713 VanDerWaalsContact CG-O 3.3Å; R711-E713 WeakPolarHBondContact CG-O 3.44Å; R711-E715 IonicContact CZ-OE1 3.67Å; R711-E715 IonicContact CZ-OE2 3.77Å; R711-E715 IonicContact NH1-OE1 2.71Å; R711-E715 IonicContact NH1-OE2 3.47Å; R711-E715 PolarHBondContact NH1-OE2 3.4Å; R711-E715 IonicContact NH2-OE1 3.04Å; R711-E715 PolarHBondContact NH2-OE1 3.07Å; R711-E715 IonicContact NH2-OE2 2.76Å; R711-E715 PolarHBondContact NH2-OE2 3.42Å
712	S	69.7	Low	69.3	Low	108 Å²	108	91.4 Å²	91.4	76%	0.755	51%	0.509	S	S	*	.	S	Bend	trans	-76.8	-30.9	176.4	-59.3	0	0	0	0	113
713	E	61.9	Low	68.2	Low	153 Å²	153	89 Å²	89	72%	0.715	50%	0.504	S	S	*	.	S	Bend	trans	-136.3	132.4	178.1	-67.3	177.7	-175	0	0	108.6	R711	R711-E713 VanDerWaalsContact CD-O 3.25Å; R711-E713 WeakPolarHBondContact CD-O 3.33Å; R711-E713 VanDerWaalsContact CG-O 3.3Å; R711-E713 WeakPolarHBondContact CG-O 3.44Å
714	A	56.5	Low	68	Low	22 Å²	22	87.9 Å²	87.9	18%	0.182	49%	0.494	C	S	.	.			trans	-77	130.3	175.1	0	0	0	0	0	109.7	L645	L645-A714 HydrophobicContact CD1-CB 4.43Å
715	E	55.1	Low	67.8	Low	118 Å²	118	91.9 Å²	91.9	55%	0.551	50%	0.497	S	S	*	.			trans	-64.7	136.9	166.1	-86.9	166.2	-175.7	0	0	108.6	R711 I717	R711-E715 IonicContact CZ-OE1 3.67Å; R711-E715 IonicContact CZ-OE2 3.77Å; R711-E715 IonicContact NH1-OE1 2.71Å; R711-E715 IonicContact NH1-OE2 3.47Å; R711-E715 PolarHBondContact NH1-OE2 3.4Å; R711-E715 IonicContact NH2-OE1 3.04Å; R711-E715 PolarHBondContact NH2-OE1 3.07Å; R711-E715 IonicContact NH2-OE2 2.76Å; R711-E715 PolarHBondContact NH2-OE2 3.42Å; E715-I717 PolarHBondContact O-N 2.89Å
716	P	50.9	Low	67.7	Low	97 Å²	97	86 Å²	86	63%	0.63	46%	0.462	S	S	*	.			trans	-66.2	104.5	175.9	26.3	-30.2	0	0	0	108.3	E718	P716-E718 PolarHBondContact O-N 3.39Å
717	I	54.2	Low	66.8	Low	71 Å²	71	86.9 Å²	86.9	36%	0.364	47%	0.466	S	S	.	.			trans	-55	135.7	165.8	-51.7	173	0	0	0	106.8	N697 F699 E715 G719 I724	N697-I717 HydrophobicContact CB-CD1 3.97Å; N697-I717 WeakPolarHBondContact O-CD1 3.01Å; F699-I717 HydrophobicContact CE2-CD1 4.35Å; E715-I717 PolarHBondContact O-N 2.89Å; I717-G719 PolarHBondContact O-N 3.14Å; I717-I724 HydrophobicContact CD1-CD1 3.45Å; I717-I724 VanDerWaalsContact CD1-CD1 3.45Å; I717-I724 HydrophobicContact CD1-CG1 4.33Å
718	E	46.7	Very low	65.6	Low	202 Å²	202	86.1 Å²	86.1	94%	0.944	47%	0.467	S	S	*	.	S	Bend	trans	-50.6	107.1	-179.2	-72.3	-176	156.4	0	0	110.8	P716	P716-E718 PolarHBondContact O-N 3.39Å
719	G	50.5	Low	64.1	Low	46 Å²	46	88.1 Å²	88.1	47%	0.474	48%	0.477	S	S	.	.	S	Bend	trans	124.2	60.1	-177.5	0	0	0	0	0	114.5	I717 G721 K722	I717-G719 PolarHBondContact O-N 3.14Å; G719-G721 PolarHBondContact O-N 2.93Å; G719-K722 PolarHBondContact O-N 3.15Å
720	K	45.3	Very low	62.6	Low	194 Å²	194	90.1 Å²	90.1	84%	0.843	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	114.5	170	-78.7	-175.3	173.8	-178.2	0	110.5
721	G	57.8	Low	60.6	Low	82 Å²	82	90.8 Å²	90.8	85%	0.845	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-3.5	171.6	0	0	0	0	0	116.9	G719	G719-G721 PolarHBondContact O-N 2.93Å
722	K	59.9	Low	59	Low	177 Å²	177	89.7 Å²	89.7	77%	0.77	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-93	129.6	172	-76.4	-176.3	178.8	178.7	0	110.8	G719	G719-K722 PolarHBondContact O-N 3.15Å
723	P	65.5	Low	57.6	Low	61 Å²	61	88 Å²	88	40%	0.396	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-63	138.1	174	18.4	-22.7	0	0	0	110.3	S651 F725	S651-P723 WeakPolarHBondContact O-CA 3.33Å; P723-F725 HydrophobicContact CB-CE2 3.96Å; P723-F725 HydrophobicContact CB-CZ 4.13Å; P723-F725 HydrophobicContact CG-CE2 3.7Å; P723-F725 HydrophobicContact CG-CZ 3.87Å; P723-F725 WeakPolarHBondContact O-CD2 3.37Å; P723-F725 VanDerWaalsContact O-CE2 3.3Å; P723-F725 WeakPolarHBondContact O-CE2 3.49Å
724	I	76.5	Confident	56.3	Low	34 Å²	34	89.5 Å²	89.5	17%	0.174	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.3	178.5	-56.3	160	0	0	0	107.8	S651 V652 V653 W693 F699 I717	S651-I724 PolarHBondContact O-N 3.38Å; V652-I724 HydrophobicContact CG1-CB 3.8Å; V652-I724 HydrophobicContact CG1-CD1 4.43Å; V652-I724 HydrophobicContact CG1-CG2 4.14Å; V653-I724 PolarHBondContact N-O 3.43Å; W693-I724 HydrophobicContact CH2-CG2 3.92Å; W693-I724 HydrophobicContact CZ2-CG2 4.01Å; F699-I724 HydrophobicContact CE2-CD1 3.96Å; F699-I724 HydrophobicContact CZ-CD1 3.99Å; I717-I724 HydrophobicContact CD1-CD1 3.45Å; I717-I724 VanDerWaalsContact CD1-CD1 3.45Å; I717-I724 HydrophobicContact CD1-CG1 4.33Å
725	F	74.8	Confident	55	Low	131 Å²	131	97.6 Å²	97.6	58%	0.575	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	131	-179.8	-66.3	-90.9	0	0	0	111.6	V653 P723	V653-F725 HydrophobicContact CB-CD1 3.63Å; V653-F725 HydrophobicContact CB-CE1 3.83Å; V653-F725 HydrophobicContact CG1-CD1 4.14Å; V653-F725 HydrophobicContact CG1-CE1 4.31Å; V653-F725 HydrophobicContact CG2-CD1 4.03Å; V653-F725 HydrophobicContact CG2-CE1 3.69Å; V653-F725 HydrophobicContact CG2-CZ 4.4Å; V653-F725 CarbonylContact O-C 3.51Å; V653-F725 WeakPolarHBondContact O-CA 3.36Å; P723-F725 HydrophobicContact CB-CE2 3.96Å; P723-F725 HydrophobicContact CB-CZ 4.13Å; P723-F725 HydrophobicContact CG-CE2 3.7Å; P723-F725 HydrophobicContact CG-CZ 3.87Å; P723-F725 WeakPolarHBondContact O-CD2 3.37Å; P723-F725 VanDerWaalsContact O-CE2 3.3Å; P723-F725 WeakPolarHBondContact O-CE2 3.49Å
726	C	74.5	Confident	53.8	Low	8 Å²	8	95.5 Å²	95.5	5%	0.054	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	92.8	165.3	-174.4	0	0	0	0	109.8	V653 V654 T655 L658 W693	V653-C726 PolarHBondContact O-N 3Å; V654-C726 CarbonylContact C-O 3.36Å; V654-C726 VanDerWaalsContact CA-O 3.28Å; V654-C726 WeakPolarHBondContact CA-O 3.33Å; V654-C726 HydrophobicContact CG1-CB 4.41Å; T655-C726 WeakPolarHBondContact CG2-O 3.43Å; T655-C726 PolarHBondContact N-O 3.44Å; L658-C726 HydrophobicContact CD1-CB 4Å; W693-C726 HydrophobicContact CH2-CB 4.06Å; W693-C726 HydrophobicContact CZ2-CB 3.37Å
727	L	67.7	Low	52.6	Low	54 Å²	54	95.6 Å²	95.6	28%	0.283	55%	0.552	S	S	.	*			trans	-110.1	-5.7	179.7	-63.8	174.3	0	0	0	112.5	L507 A638 V653	L507-L727 HydrophobicContact CD2-CB 4.22Å; A638-L727 HydrophobicContact CB-CD2 3.45Å; A638-L727 VanDerWaalsContact CB-CD2 3.45Å; V653-L727 HydrophobicContact CG1-CD2 4.1Å
728	D	64.1	Low	51.4	Low	84 Å²	84	96.4 Å²	96.4	45%	0.449	56%	0.564	S	S	.	*			trans	-130.4	102.7	-179.2	-171.2	-4.3	0	0	0	110	S730 S731	D728-S730 PolarHBondContact O-N 3.3Å; D728-S730 WeakPolarHBondContact OD1-CB 3.33Å; D728-S730 PolarHBondContact OD1-N 3.36Å; D728-S730 PolarHBondContact OD1-OG 3.31Å; D728-S730 PolarHBondContact OD2-OG 3.21Å; D728-S731 PolarHBondContact O-OG 3.21Å
729	E	61.2	Low	50.7	Low	46 Å²	46	90.3 Å²	90.3	22%	0.215	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-73.9	-7.1	177.9	-62	-154.6	169.2	0	0	112.3	T655 R690 S731 F732	T655-E729 HydrophobicContact CG2-CG 3.77Å; T655-E729 PolarHBondContact OG1-OE1 3.43Å; R690-E729 IonicContact CZ-OE1 3.12Å; R690-E729 IonicContact CZ-OE2 3.59Å; R690-E729 IonicContact NE-OE1 2.79Å; R690-E729 PolarHBondContact NE-OE1 3.04Å; R690-E729 IonicContact NE-OE2 2.77Å; R690-E729 PolarHBondContact NE-OE2 3.18Å; R690-E729 VanDerWaalsContact NE-OE2 3.17Å; R690-E729 IonicContact NH2-OE1 3.02Å; R690-E729 PolarHBondContact NH2-OE1 2.94Å; R690-E729 IonicContact NH2-OE2 2.7Å; R690-E729 PolarHBondContact NH2-OE2 3.46Å; E729-S731 PolarHBondContact O-N 3.1Å; E729-S731 VanDerWaalsContact O-N 3.15Å; E729-F732 HydrophobicContact CB-CD2 3.58Å; E729-F732 HydrophobicContact CB-CE2 3.63Å; E729-F732 HydrophobicContact CG-CD2 4.14Å; E729-F732 HydrophobicContact CG-CE2 3.66Å; E729-F732 WeakPolarHBondContact O-CB 3.38Å; E729-F732 WeakPolarHBondContact O-CD2 3.34Å; E729-F732 WeakPolarHBondContact O-CG 3.33Å; E729-F732 PolarHBondContact O-N 2.99Å
730	S	56.8	Low	49.7	Very low	77 Å²	77	93.5 Å²	93.5	54%	0.538	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-61.9	-23.7	177.2	68.7	0	0	0	0	112.8	D728 F732 A733	D728-S730 PolarHBondContact O-N 3.3Å; D728-S730 WeakPolarHBondContact OD1-CB 3.33Å; D728-S730 PolarHBondContact OD1-N 3.36Å; D728-S730 PolarHBondContact OD1-OG 3.31Å; D728-S730 PolarHBondContact OD2-OG 3.21Å; S730-F732 PolarHBondContact O-N 3.33Å; S730-F732 VanDerWaalsContact O-N 3.16Å; S730-A733 VanDerWaalsContact O-CB 3.23Å; S730-A733 WeakPolarHBondContact O-CB 3.28Å; S730-A733 PolarHBondContact O-N 3.42Å; S730-A733 VanDerWaalsContact O-N 3.1Å
731	S	44.1	Very low	48.9	Very low	79 Å²	79	91.2 Å²	91.2	55%	0.552	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-63.7	-12.7	172.1	58.9	0	0	0	0	114.4	D728 E729 A733	D728-S731 PolarHBondContact O-OG 3.21Å; E729-S731 PolarHBondContact O-N 3.1Å; E729-S731 VanDerWaalsContact O-N 3.15Å; S731-A733 PolarHBondContact O-N 2.92Å
732	F	46	Very low	47.6	Very low	39 Å²	39	94.6 Å²	94.6	17%	0.171	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-75.5	-6	171.8	-61.7	-55.5	0	0	0	114	R689 W693 E729 S730 E734	R689-F732 HydrophobicContact CB-CG 4.47Å; W693-F732 HydrophobicContact CB-CE1 3.54Å; W693-F732 HydrophobicContact CB-CZ 3.74Å; W693-F732 AromaticContact CD1-CE1 3.39Å; W693-F732 AromaticContact CD1-CZ 3.59Å; W693-F732 AromaticContact CG-CE1 3.69Å; W693-F732 HydrophobicContact CG-CE1 3.69Å; W693-F732 AromaticContact CG-CZ 3.71Å; W693-F732 HydrophobicContact CG-CZ 3.71Å; E729-F732 HydrophobicContact CB-CD2 3.58Å; E729-F732 HydrophobicContact CB-CE2 3.63Å; E729-F732 HydrophobicContact CG-CD2 4.14Å; E729-F732 HydrophobicContact CG-CE2 3.66Å; E729-F732 WeakPolarHBondContact O-CB 3.38Å; E729-F732 WeakPolarHBondContact O-CD2 3.34Å; E729-F732 WeakPolarHBondContact O-CG 3.33Å; E729-F732 PolarHBondContact O-N 2.99Å; S730-F732 PolarHBondContact O-N 3.33Å; S730-F732 VanDerWaalsContact O-N 3.16Å; F732-E734 VanDerWaalsContact C-N 3.33Å; F732-E734 PolarHBondContact O-N 3.34Å
733	A	39.6	Very low	46.1	Very low	73 Å²	73	93.4 Å²	93.4	60%	0.603	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-78.9	-5.3	-173.3	0	0	0	0	0	115.2	S730 S731 E735	S730-A733 VanDerWaalsContact O-CB 3.23Å; S730-A733 WeakPolarHBondContact O-CB 3.28Å; S730-A733 PolarHBondContact O-N 3.42Å; S730-A733 VanDerWaalsContact O-N 3.1Å; S731-A733 PolarHBondContact O-N 2.92Å; A733-E735 PolarHBondContact O-N 3.01Å
734	E	33.7	Very low	44.5	Very low	184 Å²	184	97.3 Å²	97.3	86%	0.86	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-81.8	-1.5	-171	-73.4	-167.4	160.9	0	0	116.5	F732	F732-E734 VanDerWaalsContact C-N 3.33Å; F732-E734 PolarHBondContact O-N 3.34Å
735	E	30.5	Very low	42.3	Very low	192 Å²	192	100.7 Å²	100.7	90%	0.897	59%	0.589	S	S	*	*	S	Bend	trans	-137.4	99.9	174.7	-69.8	-176.6	171.1	0	0	111.8	A733	A733-E735 PolarHBondContact O-N 3.01Å
736	G	29.2	Very low	40.3	Very low	74 Å²	74	103 Å²	103	76%	0.763	60%	0.602	S	S	*	*			trans	108.9	28.5	158.9	0	0	0	0	0	118.2	S738	G736-S738 PolarHBondContact O-N 2.96Å
737	A	26.5	Very low	38.3	Very low	99 Å²	99	111.3 Å²	111.3	82%	0.818	64%	0.637	S	S	*	*			trans	-67.4	86.1	157	0	0	0	0	0	108.7	A739	A737-A739 PolarHBondContact O-N 2.94Å
738	S	28.9	Very low	37	Very low	88 Å²	88	113.3 Å²	113.3	62%	0.615	65%	0.652	S	S	*	*			trans	-53.3	131.4	164.2	-177	0	0	0	0	108.2	G736 N740	G736-S738 PolarHBondContact O-N 2.96Å; S738-N740 PolarHBondContact O-N 3.41Å
739	A	30.5	Very low	36.5	Very low	74 Å²	74	111.3 Å²	111.3	61%	0.612	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	9.5	-172.7	0	0	0	0	0	115.8	A737	A737-A739 PolarHBondContact O-N 2.94Å
740	N	29.5	Very low	36.5	Very low	113 Å²	113	114.2 Å²	114.2	60%	0.604	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-3.7	-170.6	-72.5	4.7	0	0	0	115.3	S738	S738-N740 PolarHBondContact O-N 3.41Å
741	D	29.1	Very low	36.6	Very low	146 Å²	146	114 Å²	114	78%	0.781	66%	0.657	S	S	*	*	S	Bend	trans	-95.6	2.9	174.9	-78.6	-17.9	0	0	0	113.5
742	L	30.7	Very low	37.7	Very low	153 Å²	153	111.7 Å²	111.7	80%	0.801	64%	0.638	S	S	*	*	S	Bend	trans	-90.2	-6.7	175.4	-73.8	168.2	0	0	0	113.8
743	E	28.4	Very low	38.7	Very low	152 Å²	152	113.7 Å²	113.7	71%	0.71	66%	0.656	S	S	*	*	S	Bend	trans	-99.5	1.7	-175.4	-68.7	-172.5	164.3	0	0	114.6
744	I	31.2	Very low	40.1	Very low	143 Å²	143	115.2 Å²	115.2	73%	0.733	65%	0.646	S	S	*	*	S	Bend	trans	-105.7	-8.7	-178.9	-57.6	177.2	0	0	0	113.3
745	S	31.7	Very low	42	Very low	105 Å²	105	106.5 Å²	106.5	73%	0.734	61%	0.606	S	S	*	*			trans	-98.6	20.6	176.6	-168.9	0	0	0	0	114.2	K747	S745-K747 VanDerWaalsContact C-N 3.28Å; S745-K747 PolarHBondContact O-N 2.91Å
746	E	31.4	Very low	44.2	Very low	179 Å²	179	101.2 Å²	101.2	84%	0.836	58%	0.581	S	S	*	*			trans	-84.1	2.5	175.5	-109.4	-178.4	179.7	0	0	114.2
747	K	33.6	Very low	46.5	Very low	184 Å²	184	100.8 Å²	100.8	80%	0.8	57%	0.57	S	S	*	*	S	Bend	trans	-107.6	112.3	175.7	-68.6	-177.4	-180	177.6	0	109.7	S745	S745-K747 VanDerWaalsContact C-N 3.28Å; S745-K747 PolarHBondContact O-N 2.91Å
748	T	39.5	Very low	48.9	Very low	96 Å²	96	97.6 Å²	97.6	59%	0.589	54%	0.537	S	S	*	.			trans	66.3	95.8	179.9	28.8	0	0	0	0	115	F752	T748-F752 HydrophobicContact CG2-CB 4.12Å
749	S	54.7	Low	51.4	Low	42 Å²	42	94.3 Å²	94.3	29%	0.294	51%	0.511	S	S	.	.			trans	-52.9	146.8	159.7	73.7	0	0	0	0	109.7	E751 F752	S749-E751 PolarHBondContact O-N 2.91Å; S749-F752 PolarHBondContact O-N 3.32Å; S749-F752 WeakPolarHBondContact OG-CD2 3.46Å; S749-F752 PolarHBondContact OG-N 3.26Å
750	P	60	Low	53.7	Low	107 Å²	107	94.9 Å²	94.9	70%	0.695	51%	0.511	S	S	*	.	H	α-helix	trans	-57.3	-20.1	176	22.9	-33.6	0	0	0	112.8	R754	P750-R754 WeakPolarHBondContact O-CG 3.22Å; P750-R754 PolarHBondContact O-N 3.25Å
751	E	60.6	Low	55.9	Low	72 Å²	72	94.7 Å²	94.7	34%	0.336	50%	0.503	S	S	.	.	H	α-helix	trans	-68.6	-38.5	174.8	-62.8	173.8	175.3	0	0	112.3	S749 S753 R754 L755	S749-E751 PolarHBondContact O-N 2.91Å; E751-S753 PolarHBondContact O-N 3.23Å; E751-R754 PolarHBondContact O-N 3.5Å; E751-L755 PolarHBondContact O-N 3.44Å; E751-L755 VanDerWaalsContact O-N 3.07Å
752	F	65.9	Low	58.2	Low	31 Å²	31	87.8 Å²	87.8	14%	0.136	47%	0.466	C	S	.	.	H	α-helix	trans	-65.7	-39	176.8	-75.1	-56.5	0	0	0	112.5	T748 S749 R754 L755 E756 Q799 F800 L803	T748-F752 HydrophobicContact CG2-CB 4.12Å; S749-F752 PolarHBondContact O-N 3.32Å; S749-F752 WeakPolarHBondContact OG-CD2 3.46Å; S749-F752 PolarHBondContact OG-N 3.26Å; F752-R754 VanDerWaalsContact C-N 3.27Å; F752-R754 PolarHBondContact O-N 3.48Å; F752-L755 HydrophobicContact CD1-CD1 4.32Å; F752-L755 WeakPolarHBondContact O-CB 3.38Å; F752-L755 PolarHBondContact O-N 3.39Å; F752-E756 WeakPolarHBondContact O-CB 3.42Å; F752-E756 PolarHBondContact O-N 2.83Å; F752-Q799 HydrophobicContact CZ-CB 4.44Å; F752-F800 HydrophobicContact CD1-CB 3.94Å; F752-F800 AromaticContact CD1-CD2 3.46Å; F752-F800 HydrophobicContact CD1-CD2 3.46Å; F752-F800 VanDerWaalsContact CD1-CD2 3.46Å; F752-F800 HydrophobicContact CD1-CE2 4.35Å; F752-F800 HydrophobicContact CD1-CG 4.12Å; F752-F800 HydrophobicContact CE1-CB 3.7Å; F752-F800 HydrophobicContact CE1-CD2 4.01Å; F752-F800 HydrophobicContact CE1-CG 4.35Å; F752-F800 HydrophobicContact CG-CD2 4.49Å; F752-L803 HydrophobicContact CD1-CD1 4.37Å; F752-L803 HydrophobicContact CE1-CD1 3.8Å; F752-L803 HydrophobicContact CE2-CD1 4.21Å; F752-L803 HydrophobicContact CZ-CD1 3.71Å
753	S	68.3	Low	60.5	Low	81 Å²	81	82.6 Å²	82.6	57%	0.566	44%	0.437	S	S	*	.	H	α-helix	trans	-63.3	-33.7	177.9	-148.2	0	0	0	0	112.1	E751 E756	E751-S753 PolarHBondContact O-N 3.23Å; S753-E756 WeakPolarHBondContact O-CB 3.4Å
754	R	68.7	Low	62.9	Low	104 Å²	104	76.9 Å²	76.9	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	-45	173.4	-64.3	175.5	99.1	162.7	13.3	111.9	P750 E751 F752 E756 A757 Y758 E789	P750-R754 WeakPolarHBondContact O-CG 3.22Å; P750-R754 PolarHBondContact O-N 3.25Å; E751-R754 PolarHBondContact O-N 3.5Å; F752-R754 VanDerWaalsContact C-N 3.27Å; F752-R754 PolarHBondContact O-N 3.48Å; R754-E756 PolarHBondContact O-N 3.31Å; R754-A757 VanDerWaalsContact O-CB 3.28Å; R754-A757 WeakPolarHBondContact O-CB 3.41Å; R754-A757 PolarHBondContact O-N 3.43Å; R754-Y758 VanDerWaalsContact O-CD2 3.24Å; R754-Y758 WeakPolarHBondContact O-CD2 3.33Å; R754-Y758 WeakPolarHBondContact O-CE2 3.34Å; R754-E789 IonicContact CZ-OE1 3.61Å; R754-E789 IonicContact NE-OE1 3.13Å; R754-E789 PolarHBondContact NE-OE1 3.01Å; R754-E789 VanDerWaalsContact NH2-CG 3.27Å; R754-E789 IonicContact NH2-OE1 2.74Å; R754-E789 PolarHBondContact NH2-OE1 3.36Å
755	L	72.6	Confident	65	Low	1 Å²	1	72.1 Å²	72.1	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-58	-35.3	175.2	-78	167.1	0	0	0	112	E751 F752 A757 Y758 W759 M781 L792 I796 V797 F800	E751-L755 PolarHBondContact O-N 3.44Å; E751-L755 VanDerWaalsContact O-N 3.07Å; F752-L755 HydrophobicContact CD1-CD1 4.32Å; F752-L755 WeakPolarHBondContact O-CB 3.38Å; F752-L755 PolarHBondContact O-N 3.39Å; L755-A757 VanDerWaalsContact C-N 3.29Å; L755-A757 PolarHBondContact O-N 3.49Å; L755-Y758 PolarHBondContact O-N 2.99Å; L755-W759 WeakPolarHBondContact O-CB 3.3Å; L755-W759 PolarHBondContact O-N 2.95Å; L755-M781 HydrophobicContact CD2-CE 4.11Å; L755-M781 HydrophobicContact CD2-SD 3.55Å; L755-M781 VanDerWaalsContact CD2-SD 3.55Å; L755-L792 HydrophobicContact CD2-CD1 4.32Å; L755-L792 HydrophobicContact CD2-CD2 3.57Å; L755-L792 HydrophobicContact CG-CD2 4.11Å; L755-I796 HydrophobicContact CD1-CG2 3.98Å; L755-V797 HydrophobicContact CD2-CG2 4.25Å; L755-F800 HydrophobicContact CB-CD1 4.07Å; L755-F800 HydrophobicContact CB-CD2 4.19Å; L755-F800 HydrophobicContact CB-CE1 4Å; L755-F800 HydrophobicContact CB-CE2 4.06Å; L755-F800 HydrophobicContact CB-CG 4.14Å; L755-F800 HydrophobicContact CB-CZ 3.96Å; L755-F800 HydrophobicContact CD1-CB 3.95Å; L755-F800 HydrophobicContact CD1-CD1 4.48Å; L755-F800 HydrophobicContact CD1-CD2 4.48Å; L755-F800 HydrophobicContact CD1-CG 4.07Å
756	E	77.2	Confident	67.1	Low	82 Å²	82	68.6 Å²	68.6	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-32	174.7	-135.2	125.9	-156.8	0	0	113.4	F752 S753 R754 W759 K804	F752-E756 WeakPolarHBondContact O-CB 3.42Å; F752-E756 PolarHBondContact O-N 2.83Å; S753-E756 WeakPolarHBondContact O-CB 3.4Å; R754-E756 PolarHBondContact O-N 3.31Å; E756-W759 WeakPolarHBondContact O-CB 3.47Å; E756-W759 PolarHBondContact O-N 2.93Å; E756-K804 IonicContact OE1-NZ 2.88Å; E756-K804 PolarHBondContact OE1-NZ 2.81Å
757	A	76.9	Confident	69	Low	65 Å²	65	67.4 Å²	67.4	54%	0.537	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-43.8	177.7	0	0	0	0	0	111.4	R754 L755 S760	R754-A757 VanDerWaalsContact O-CB 3.28Å; R754-A757 WeakPolarHBondContact O-CB 3.41Å; R754-A757 PolarHBondContact O-N 3.43Å; L755-A757 VanDerWaalsContact C-N 3.29Å; L755-A757 PolarHBondContact O-N 3.49Å; A757-S760 PolarHBondContact O-OG 2.97Å
758	Y	77.4	Confident	71	Confident	32 Å²	32	64.1 Å²	64.1	13%	0.125	36%	0.355	C	S	.	.	H	α-helix	trans	-78.9	-21.6	176.8	-43.8	-63.4	0	0	0	112.6	R754 L755 S760 Y761 V762 M784 E789	R754-Y758 VanDerWaalsContact O-CD2 3.24Å; R754-Y758 WeakPolarHBondContact O-CD2 3.33Å; R754-Y758 WeakPolarHBondContact O-CE2 3.34Å; L755-Y758 PolarHBondContact O-N 2.99Å; Y758-S760 VanDerWaalsContact C-N 3.26Å; Y758-S760 PolarHBondContact O-N 2.99Å; Y758-Y761 PolarHBondContact O-N 2.86Å; Y758-Y761 VanDerWaalsContact O-N 3.13Å; Y758-V762 PolarHBondContact O-N 3.39Å; Y758-V762 VanDerWaalsContact O-N 3.12Å; Y758-M784 HydrophobicContact CD1-CB 4.26Å; Y758-E789 VanDerWaalsContact OH-CD 3.26Å; Y758-E789 PolarHBondContact OH-OE1 3.35Å; Y758-E789 PolarHBondContact OH-OE2 2.89Å
759	W	80.8	Confident	72.2	Confident	18 Å²	18	64.9 Å²	64.9	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-38.2	-177.8	-179.8	-115.2	0	0	0	112.9	L755 E756 Y761 V762 H763 I766 M781 F800 L801 K804 I809 L810	L755-W759 WeakPolarHBondContact O-CB 3.3Å; L755-W759 PolarHBondContact O-N 2.95Å; E756-W759 WeakPolarHBondContact O-CB 3.47Å; E756-W759 PolarHBondContact O-N 2.93Å; W759-Y761 VanDerWaalsContact C-N 3.28Å; W759-Y761 PolarHBondContact O-N 3.41Å; W759-V762 HydrophobicContact CE3-CB 4.38Å; W759-V762 HydrophobicContact CE3-CG1 4.22Å; W759-V762 HydrophobicContact CZ3-CG1 3.99Å; W759-V762 PolarHBondContact O-N 3.25Å; W759-H763 HydrophobicContact CD2-CB 4.38Å; W759-H763 HydrophobicContact CZ2-CB 4.13Å; W759-H763 AromaticContact CZ2-CD2 3.97Å; W759-H763 WeakPolarHBondContact O-CB 3.49Å; W759-H763 PolarHBondContact O-N 2.83Å; W759-I766 HydrophobicContact CH2-CD1 4.11Å; W759-I766 HydrophobicContact CZ3-CD1 4.22Å; W759-M781 HydrophobicContact CE3-CE 4.27Å; W759-F800 HydrophobicContact CB-CE1 4.12Å; W759-F800 HydrophobicContact CB-CZ 4.03Å; W759-F800 AromaticContact CD2-CE1 3.96Å; W759-F800 HydrophobicContact CD2-CE1 3.96Å; W759-F800 HydrophobicContact CD2-CZ 4.33Å; W759-F800 AromaticContact CE3-CE1 3.68Å; W759-F800 HydrophobicContact CE3-CE1 3.68Å; W759-F800 HydrophobicContact CE3-CZ 4.48Å; W759-F800 HydrophobicContact CG-CE1 4.16Å; W759-F800 HydrophobicContact CG-CZ 4.12Å; W759-F800 HydrophobicContact CZ3-CE1 4.49Å; W759-L801 HydrophobicContact CH2-CD2 4.16Å; W759-L801 HydrophobicContact CZ3-CD2 3.71Å; W759-K804 HydrophobicContact CD2-CG 4.42Å; W759-K804 HydrophobicContact CH2-CB 4.42Å; W759-K804 HydrophobicContact CH2-CG 4.37Å; W759-K804 HydrophobicContact CZ2-CB 4.14Å; W759-K804 HydrophobicContact CZ2-CD 4.35Å; W759-K804 HydrophobicContact CZ2-CG 4Å; W759-I809 HydrophobicContact CZ2-CG2 4.11Å; W759-L810 HydrophobicContact CH2-CD1 3.63Å; W759-L810 HydrophobicContact CH2-CD2 3.88Å; W759-L810 HydrophobicContact CH2-CG 3.88Å; W759-L810 HydrophobicContact CZ2-CD1 4.22Å; W759-L810 HydrophobicContact CZ2-CD2 4.2Å; W759-L810 HydrophobicContact CZ2-CG 4.07Å
760	S	79.3	Confident	72.4	Confident	87 Å²	87	75.3 Å²	75.3	61%	0.608	39%	0.386	S	S	*	.	H	α-helix	trans	-57	-40.8	178.9	60.5	0	0	0	0	113	A757 Y758 G764	A757-S760 PolarHBondContact O-OG 2.97Å; Y758-S760 VanDerWaalsContact C-N 3.26Å; Y758-S760 PolarHBondContact O-N 2.99Å; S760-G764 PolarHBondContact O-N 3.21Å
761	Y	76.4	Confident	72.5	Confident	108 Å²	108	72.9 Å²	72.9	42%	0.424	38%	0.381	S	S	.	.	H	α-helix	trans	-74.3	-48.3	177.2	176	-105	0	0	0	112	Y758 W759 H763 G764 L765 M784	Y758-Y761 PolarHBondContact O-N 2.86Å; Y758-Y761 VanDerWaalsContact O-N 3.13Å; W759-Y761 VanDerWaalsContact C-N 3.28Å; W759-Y761 PolarHBondContact O-N 3.41Å; Y761-H763 VanDerWaalsContact C-N 3.29Å; Y761-H763 PolarHBondContact O-N 3.03Å; Y761-G764 WeakPolarHBondContact O-CA 3.25Å; Y761-G764 PolarHBondContact O-N 2.73Å; Y761-L765 HydrophobicContact CD1-CD1 3.78Å; Y761-L765 HydrophobicContact CE1-CD1 3.21Å; Y761-L765 HydrophobicContact CE1-CG 4.38Å; Y761-L765 HydrophobicContact CE2-CD1 4.15Å; Y761-L765 HydrophobicContact CG-CD1 4.47Å; Y761-L765 VanDerWaalsContact CZ-CD1 3.42Å; Y761-L765 PolarHBondContact O-N 3.36Å; Y761-M784 HydrophobicContact CD1-CE 3.48Å; Y761-M784 VanDerWaalsContact CD1-CE 3.48Å; Y761-M784 HydrophobicContact CD1-CG 4.26Å; Y761-M784 HydrophobicContact CD1-SD 3.89Å; Y761-M784 HydrophobicContact CD2-CE 4.27Å; Y761-M784 HydrophobicContact CE1-CE 4.05Å; Y761-M784 HydrophobicContact CE1-CG 4.2Å; Y761-M784 HydrophobicContact CE1-SD 3.82Å; Y761-M784 HydrophobicContact CG-CE 3.59Å; Y761-M784 HydrophobicContact CG-SD 4.38Å
762	V	77.1	Confident	73.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-43	177.8	171.7	0	0	0	0	110.7	Y758 W759 G764 L765 I766 I777 M781	Y758-V762 PolarHBondContact O-N 3.39Å; Y758-V762 VanDerWaalsContact O-N 3.12Å; W759-V762 HydrophobicContact CE3-CB 4.38Å; W759-V762 HydrophobicContact CE3-CG1 4.22Å; W759-V762 HydrophobicContact CZ3-CG1 3.99Å; W759-V762 PolarHBondContact O-N 3.25Å; V762-G764 VanDerWaalsContact C-N 3.34Å; V762-G764 PolarHBondContact O-N 3.07Å; V762-L765 WeakPolarHBondContact O-CB 3.48Å; V762-L765 PolarHBondContact O-N 3.35Å; V762-I766 HydrophobicContact CG1-CD1 3.66Å; V762-I766 HydrophobicContact CG1-CG1 4.27Å; V762-I766 WeakPolarHBondContact O-CB 3.46Å; V762-I766 VanDerWaalsContact O-CG1 3.25Å; V762-I766 WeakPolarHBondContact O-CG1 3.44Å; V762-I766 PolarHBondContact O-N 3.35Å; V762-I777 HydrophobicContact CG1-CG1 4.26Å; V762-I777 HydrophobicContact CG1-CG2 3.79Å; V762-M781 HydrophobicContact CB-CE 4.35Å; V762-M781 HydrophobicContact CG1-CE 4.48Å; V762-M781 HydrophobicContact CG2-CE 3.92Å; V762-M781 HydrophobicContact CG2-CG 3.76Å
763	H	78.7	Confident	73.8	Confident	44 Å²	44	73 Å²	73	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-36.6	175.5	-177.9	-122.4	0	0	0	112.3	W759 Y761 K767	W759-H763 HydrophobicContact CD2-CB 4.38Å; W759-H763 HydrophobicContact CZ2-CB 4.13Å; W759-H763 AromaticContact CZ2-CD2 3.97Å; W759-H763 WeakPolarHBondContact O-CB 3.49Å; W759-H763 PolarHBondContact O-N 2.83Å; Y761-H763 VanDerWaalsContact C-N 3.29Å; Y761-H763 PolarHBondContact O-N 3.03Å; H763-K767 WeakPolarHBondContact CE1-CE 3.49Å; H763-K767 WeakPolarHBondContact O-CG 3.49Å; H763-K767 PolarHBondContact O-N 3.27Å
764	G	78.3	Confident	74.2	Confident	32 Å²	32	70.4 Å²	70.4	33%	0.33	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-41	171.1	0	0	0	0	0	112.9	S760 Y761 V762 K767 T768	S760-G764 PolarHBondContact O-N 3.21Å; Y761-G764 WeakPolarHBondContact O-CA 3.25Å; Y761-G764 PolarHBondContact O-N 2.73Å; V762-G764 VanDerWaalsContact C-N 3.34Å; V762-G764 PolarHBondContact O-N 3.07Å; G764-K767 PolarHBondContact O-N 2.96Å; G764-T768 PolarHBondContact O-N 2.98Å; G764-T768 PolarHBondContact O-OG1 3.35Å
765	L	76.4	Confident	74.7	Confident	43 Å²	43	71 Å²	71	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-69.1	-42.7	175.3	-83.3	163.3	0	0	0	112.8	Y761 V762 K767 T768 M769 L780	Y761-L765 HydrophobicContact CD1-CD1 3.78Å; Y761-L765 HydrophobicContact CE1-CD1 3.21Å; Y761-L765 HydrophobicContact CE1-CG 4.38Å; Y761-L765 HydrophobicContact CE2-CD1 4.15Å; Y761-L765 HydrophobicContact CG-CD1 4.47Å; Y761-L765 VanDerWaalsContact CZ-CD1 3.42Å; Y761-L765 PolarHBondContact O-N 3.36Å; V762-L765 WeakPolarHBondContact O-CB 3.48Å; V762-L765 PolarHBondContact O-N 3.35Å; L765-K767 PolarHBondContact O-N 3.41Å; L765-T768 CarbonylContact O-C 3.58Å; L765-T768 WeakPolarHBondContact O-CA 3.38Å; L765-T768 PolarHBondContact O-N 2.83Å; L765-M769 WeakPolarHBondContact O-CB 3.49Å; L765-M769 PolarHBondContact O-N 2.94Å; L765-L780 HydrophobicContact CD1-CD1 4.15Å; L765-L780 HydrophobicContact CD1-CD2 4.47Å
766	I	74.4	Confident	74.9	Confident	32 Å²	32	77.2 Å²	77.2	16%	0.164	40%	0.403	C	S	.	.	H	α-helix	trans	-62.9	-32.1	175.5	-68.4	168.1	0	0	0	111.1	W759 V762 T768 M769 I777 L810	W759-I766 HydrophobicContact CH2-CD1 4.11Å; W759-I766 HydrophobicContact CZ3-CD1 4.22Å; V762-I766 HydrophobicContact CG1-CD1 3.66Å; V762-I766 HydrophobicContact CG1-CG1 4.27Å; V762-I766 WeakPolarHBondContact O-CB 3.46Å; V762-I766 VanDerWaalsContact O-CG1 3.25Å; V762-I766 WeakPolarHBondContact O-CG1 3.44Å; V762-I766 PolarHBondContact O-N 3.35Å; I766-T768 VanDerWaalsContact C-N 3.28Å; I766-T768 PolarHBondContact O-N 3.26Å; I766-M769 CarbonylContact C-O 3.54Å; I766-I777 HydrophobicContact CD1-CD1 3.92Å; I766-I777 HydrophobicContact CD1-CG1 4.43Å; I766-L810 HydrophobicContact CD1-CD2 4.39Å; I766-L810 HydrophobicContact CG2-CD2 4.16Å
767	K	73.2	Confident	75.1	Confident	154 Å²	154	73.7 Å²	73.7	67%	0.67	39%	0.387	S	S	*	.	H	α-helix	trans	-68.6	-28.4	171.7	-79.5	-178.9	174.7	-177.2	0	113.3	H763 G764 L765	H763-K767 WeakPolarHBondContact CE1-CE 3.49Å; H763-K767 WeakPolarHBondContact O-CG 3.49Å; H763-K767 PolarHBondContact O-N 3.27Å; G764-K767 PolarHBondContact O-N 2.96Å; L765-K767 PolarHBondContact O-N 3.41Å
768	T	74.6	Confident	75.3	Confident	114 Å²	114	71.8 Å²	71.8	70%	0.699	37%	0.367	S	S	*	.	H	α-helix	trans	-89.8	-39.2	-176.2	-46.6	0	0	0	0	111.6	G764 L765 I766	G764-T768 PolarHBondContact O-N 2.98Å; G764-T768 PolarHBondContact O-OG1 3.35Å; L765-T768 CarbonylContact O-C 3.58Å; L765-T768 WeakPolarHBondContact O-CA 3.38Å; L765-T768 PolarHBondContact O-N 2.83Å; I766-T768 VanDerWaalsContact C-N 3.28Å; I766-T768 PolarHBondContact O-N 3.26Å
769	M	64.1	Low	75.5	Confident	112 Å²	112	74.7 Å²	74.7	55%	0.552	38%	0.382	S	S	*	.	S	Bend	trans	-103.2	110.7	178.9	-60.5	-84.2	-77.5	0	0	107.1	L765 I766 G771	L765-M769 WeakPolarHBondContact O-CB 3.49Å; L765-M769 PolarHBondContact O-N 2.94Å; I766-M769 CarbonylContact C-O 3.54Å; M769-G771 PolarHBondContact O-N 2.88Å
770	R	58.8	Low	75.4	Confident	261 Å²	261	75.1 Å²	75.1	99%	0.985	39%	0.386	S	S	*	.	S	Bend	trans	-65.2	51.3	-171.7	-64.3	-176.9	175.2	-171.3	-1.1	115.2
771	G	63.8	Low	75.3	Confident	56 Å²	56	71 Å²	71	58%	0.577	36%	0.357	S	S	*	.			trans	128.2	141.5	-176.9	0	0	0	0	0	112.3	M769	M769-G771 PolarHBondContact O-N 2.88Å
772	M	73.7	Confident	75.3	Confident	46 Å²	46	69 Å²	69	23%	0.227	35%	0.351	C	S	.	.			trans	-153.4	139.2	179	-170.5	179.3	-68.4	0	0	110.1	R776 I777 L780	M772-R776 HydrophobicContact CG-CB 3.67Å; M772-R776 HydrophobicContact CG-CG 3.68Å; M772-R776 HydrophobicContact SD-CB 4.24Å; M772-R776 HydrophobicContact SD-CG 3.89Å; M772-I777 HydrophobicContact CB-CG1 4.27Å; M772-I777 HydrophobicContact CG-CG1 3.9Å; M772-I777 HydrophobicContact SD-CG1 3.63Å; M772-L780 HydrophobicContact CE-CD1 3.55Å; M772-L780 HydrophobicContact SD-CD1 3.34Å; M772-L780 WeakPolarHBondContact SD-CD1 3.39Å
773	S	78.8	Confident	75.2	Confident	61 Å²	61	76.7 Å²	76.7	43%	0.427	39%	0.389	S	S	.	.			trans	-73.1	156.2	177.7	68.2	0	0	0	0	112.3	E775 R776 I777	S773-E775 PolarHBondContact O-N 3.26Å; S773-R776 PolarHBondContact O-N 2.86Å; S773-R776 VanDerWaalsContact O-N 3.11Å; S773-R776 WeakPolarHBondContact OG-CB 3.3Å; S773-R776 PolarHBondContact OG-N 3.01Å; S773-I777 WeakPolarHBondContact O-CG1 3.43Å; S773-I777 PolarHBondContact O-N 3.02Å
774	A	76.8	Confident	74.7	Confident	26 Å²	26	78.5 Å²	78.5	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-58.7	-36.4	177.5	0	0	0	0	0	112.2	I777 L778 L794 E798 L801	A774-I777 PolarHBondContact O-N 3.38Å; A774-L778 WeakPolarHBondContact O-CB 3.34Å; A774-L778 PolarHBondContact O-N 3.45Å; A774-L794 HydrophobicContact CB-CD1 4.31Å; A774-E798 HydrophobicContact CB-CG 4.16Å; A774-L801 HydrophobicContact CB-CD1 4.06Å
775	E	79.2	Confident	74.2	Confident	115 Å²	115	79.1 Å²	79.1	54%	0.537	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-37.7	176.7	-59	153.5	152.4	0	0	111.9	S773 L778 Q779 L794	S773-E775 PolarHBondContact O-N 3.26Å; E775-L778 WeakPolarHBondContact O-CB 3.4Å; E775-L778 PolarHBondContact O-N 3.33Å; E775-Q779 WeakPolarHBondContact O-CG 3.16Å; E775-Q779 PolarHBondContact O-N 3.12Å; E775-L794 HydrophobicContact CB-CD1 4.41Å; E775-L794 HydrophobicContact CG-CD1 3.85Å; E775-L794 HydrophobicContact CG-CD2 4.29Å
776	R	78	Confident	73.7	Confident	133 Å²	133	83 Å²	83	50%	0.502	41%	0.407	S	S	.	.	H	α-helix	trans	-72.5	-35.8	177.2	-170.8	63.1	172.5	171.8	-1.2	111.4	M772 S773 L778 Q779 L780	M772-R776 HydrophobicContact CG-CB 3.67Å; M772-R776 HydrophobicContact CG-CG 3.68Å; M772-R776 HydrophobicContact SD-CB 4.24Å; M772-R776 HydrophobicContact SD-CG 3.89Å; S773-R776 PolarHBondContact O-N 2.86Å; S773-R776 VanDerWaalsContact O-N 3.11Å; S773-R776 WeakPolarHBondContact OG-CB 3.3Å; S773-R776 PolarHBondContact OG-N 3.01Å; R776-L778 VanDerWaalsContact C-N 3.34Å; R776-Q779 PolarHBondContact O-N 2.71Å; R776-L780 WeakPolarHBondContact O-CG 3.33Å; R776-L780 PolarHBondContact O-N 3.27Å; R776-L780 VanDerWaalsContact O-N 3.07Å
777	I	80.9	Confident	72.9	Confident	7 Å²	7	84.7 Å²	84.7	4%	0.036	43%	0.426	C	S	.	.	H	α-helix	trans	-62.5	-44.2	170.4	-68	168	0	0	0	110	V762 I766 M772 S773 A774 L780 M781 V797 L801	V762-I777 HydrophobicContact CG1-CG1 4.26Å; V762-I777 HydrophobicContact CG1-CG2 3.79Å; I766-I777 HydrophobicContact CD1-CD1 3.92Å; I766-I777 HydrophobicContact CD1-CG1 4.43Å; M772-I777 HydrophobicContact CB-CG1 4.27Å; M772-I777 HydrophobicContact CG-CG1 3.9Å; M772-I777 HydrophobicContact SD-CG1 3.63Å; S773-I777 WeakPolarHBondContact O-CG1 3.43Å; S773-I777 PolarHBondContact O-N 3.02Å; A774-I777 PolarHBondContact O-N 3.38Å; I777-L780 PolarHBondContact O-N 3.06Å; I777-M781 HydrophobicContact CG2-CE 4.24Å; I777-M781 HydrophobicContact CG2-CG 4.36Å; I777-M781 HydrophobicContact CG2-SD 4.03Å; I777-M781 WeakPolarHBondContact O-CB 3.36Å; I777-M781 WeakPolarHBondContact O-CG 3.35Å; I777-M781 PolarHBondContact O-N 3.4Å; I777-V797 HydrophobicContact CG2-CG1 4.13Å; I777-L801 HydrophobicContact CD1-CD1 3.88Å; I777-L801 HydrophobicContact CD1-CD2 4.02Å; I777-L801 HydrophobicContact CG2-CD1 4.48Å
778	L	80.8	Confident	71.8	Confident	25 Å²	25	80 Å²	80	13%	0.131	41%	0.406	C	S	.	.	H	α-helix	trans	-58.2	-48.4	175.1	175.1	66.6	0	0	0	111.3	A774 E775 R776 L780 M781 E782 L792 L794 V797	A774-L778 WeakPolarHBondContact O-CB 3.34Å; A774-L778 PolarHBondContact O-N 3.45Å; E775-L778 WeakPolarHBondContact O-CB 3.4Å; E775-L778 PolarHBondContact O-N 3.33Å; R776-L778 VanDerWaalsContact C-N 3.34Å; L778-L780 VanDerWaalsContact C-N 3.34Å; L778-L780 PolarHBondContact O-N 3.03Å; L778-M781 PolarHBondContact O-N 3.03Å; L778-E782 HydrophobicContact CD1-CG 4.28Å; L778-E782 WeakPolarHBondContact O-CB 3.46Å; L778-E782 WeakPolarHBondContact O-CG 3.48Å; L778-E782 PolarHBondContact O-N 2.88Å; L778-L792 HydrophobicContact CD1-CB 3.37Å; L778-L792 WeakPolarHBondContact CD1-O 2.74Å; L778-L794 HydrophobicContact CB-CD1 4.35Å; L778-L794 HydrophobicContact CD2-CB 4.05Å; L778-L794 HydrophobicContact CD2-CD1 3.86Å; L778-V797 HydrophobicContact CD1-CG2 3.75Å
779	Q	80.7	Confident	71.1	Confident	94 Å²	94	76.2 Å²	76.2	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-41.8	177.3	-74.4	173.6	6	0	0	112.9	E775 R776 E782 M783	E775-Q779 WeakPolarHBondContact O-CG 3.16Å; E775-Q779 PolarHBondContact O-N 3.12Å; R776-Q779 PolarHBondContact O-N 2.71Å; Q779-E782 PolarHBondContact O-N 3.2Å; Q779-M783 WeakPolarHBondContact O-CG 3.41Å; Q779-M783 PolarHBondContact O-N 3.15Å
780	L	79.2	Confident	70.9	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-68.6	-40.3	178.1	-72.5	167.1	0	0	0	112.1	L765 M772 R776 I777 L778 E782 M783 M784	L765-L780 HydrophobicContact CD1-CD1 4.15Å; L765-L780 HydrophobicContact CD1-CD2 4.47Å; M772-L780 HydrophobicContact CE-CD1 3.55Å; M772-L780 HydrophobicContact SD-CD1 3.34Å; M772-L780 WeakPolarHBondContact SD-CD1 3.39Å; R776-L780 WeakPolarHBondContact O-CG 3.33Å; R776-L780 PolarHBondContact O-N 3.27Å; R776-L780 VanDerWaalsContact O-N 3.07Å; I777-L780 PolarHBondContact O-N 3.06Å; L778-L780 VanDerWaalsContact C-N 3.34Å; L778-L780 PolarHBondContact O-N 3.03Å; L780-E782 VanDerWaalsContact C-N 3.33Å; L780-M783 PolarHBondContact O-N 3.37Å; L780-M784 VanDerWaalsContact O-CG 3.24Å; L780-M784 WeakPolarHBondContact O-CG 3.45Å; L780-M784 PolarHBondContact O-N 3.5Å
781	M	76.8	Confident	71.1	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-37.9	174.1	-71.2	-176.5	158.2	0	0	111.2	L755 W759 V762 I777 L778 M784 K785 L792 V797 F800	L755-M781 HydrophobicContact CD2-CE 4.11Å; L755-M781 HydrophobicContact CD2-SD 3.55Å; L755-M781 VanDerWaalsContact CD2-SD 3.55Å; W759-M781 HydrophobicContact CE3-CE 4.27Å; V762-M781 HydrophobicContact CB-CE 4.35Å; V762-M781 HydrophobicContact CG1-CE 4.48Å; V762-M781 HydrophobicContact CG2-CE 3.92Å; V762-M781 HydrophobicContact CG2-CG 3.76Å; I777-M781 HydrophobicContact CG2-CE 4.24Å; I777-M781 HydrophobicContact CG2-CG 4.36Å; I777-M781 HydrophobicContact CG2-SD 4.03Å; I777-M781 WeakPolarHBondContact O-CB 3.36Å; I777-M781 WeakPolarHBondContact O-CG 3.35Å; I777-M781 PolarHBondContact O-N 3.4Å; L778-M781 PolarHBondContact O-N 3.03Å; M781-M784 PolarHBondContact O-N 3.15Å; M781-K785 PolarHBondContact O-N 3.35Å; M781-L792 HydrophobicContact CB-CD1 3.6Å; M781-V797 HydrophobicContact SD-CG1 4.45Å; M781-V797 HydrophobicContact SD-CG2 4.45Å; M781-F800 HydrophobicContact CE-CE1 4.25Å
782	E	76.1	Confident	71.3	Confident	67 Å²	67	71.4 Å²	71.4	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-39.5	174.6	-78.9	-157.8	135.7	0	0	113	L778 Q779 L780 M784 K785 L792	L778-E782 HydrophobicContact CD1-CG 4.28Å; L778-E782 WeakPolarHBondContact O-CB 3.46Å; L778-E782 WeakPolarHBondContact O-CG 3.48Å; L778-E782 PolarHBondContact O-N 2.88Å; Q779-E782 PolarHBondContact O-N 3.2Å; L780-E782 VanDerWaalsContact C-N 3.33Å; E782-M784 PolarHBondContact O-N 2.94Å; E782-K785 VanDerWaalsContact O-CB 3.28Å; E782-K785 WeakPolarHBondContact O-CB 3.39Å; E782-K785 PolarHBondContact O-N 3.2Å; E782-L792 HydrophobicContact CG-CB 4.48Å
783	M	75	Confident	71.2	Confident	161 Å²	161	73.4 Å²	73.4	79%	0.793	36%	0.356	S	S	*	.	H	α-helix	trans	-63.5	-29.7	175.9	-81.2	-177.3	64.6	0	0	113.2	Q779 L780	Q779-M783 WeakPolarHBondContact O-CG 3.41Å; Q779-M783 PolarHBondContact O-N 3.15Å; L780-M783 PolarHBondContact O-N 3.37Å
784	M	68.5	Low	71	Confident	83 Å²	83	72.9 Å²	72.9	41%	0.409	35%	0.348	S	S	.	.	H	α-helix	trans	-88.4	-12.1	-178.4	-68.3	-94.9	-68.5	0	0	112.9	Y758 Y761 L780 M781 E782	Y758-M784 HydrophobicContact CD1-CB 4.26Å; Y761-M784 HydrophobicContact CD1-CE 3.48Å; Y761-M784 VanDerWaalsContact CD1-CE 3.48Å; Y761-M784 HydrophobicContact CD1-CG 4.26Å; Y761-M784 HydrophobicContact CD1-SD 3.89Å; Y761-M784 HydrophobicContact CD2-CE 4.27Å; Y761-M784 HydrophobicContact CE1-CE 4.05Å; Y761-M784 HydrophobicContact CE1-CG 4.2Å; Y761-M784 HydrophobicContact CE1-SD 3.82Å; Y761-M784 HydrophobicContact CG-CE 3.59Å; Y761-M784 HydrophobicContact CG-SD 4.38Å; L780-M784 VanDerWaalsContact O-CG 3.24Å; L780-M784 WeakPolarHBondContact O-CG 3.45Å; L780-M784 PolarHBondContact O-N 3.5Å; M781-M784 PolarHBondContact O-N 3.15Å; E782-M784 PolarHBondContact O-N 2.94Å
785	K	69.2	Low	71	Confident	44 Å²	44	75 Å²	75	19%	0.191	36%	0.359	C	S	.	.	S	Bend	trans	-67.3	140	-178.8	-165.4	-171.8	76.9	176.8	0	110.7	M781 E782 E789 E790	M781-K785 PolarHBondContact O-N 3.35Å; E782-K785 VanDerWaalsContact O-CB 3.28Å; E782-K785 WeakPolarHBondContact O-CB 3.39Å; E782-K785 PolarHBondContact O-N 3.2Å; K785-E789 HydrophobicContact CD-CB 3.74Å; K785-E789 WeakPolarHBondContact CE-O 3.41Å; K785-E789 HydrophobicContact CG-CB 3.61Å; K785-E789 HydrophobicContact CG-CG 4.31Å; K785-E789 PolarHBondContact NZ-O 2.85Å; K785-E790 WeakPolarHBondContact CD-O 3.4Å; K785-E790 PolarHBondContact NZ-O 2.96Å
786	K	65.3	Low	70.7	Confident	126 Å²	126	71.4 Å²	71.4	55%	0.548	34%	0.343	S	S	.	.			trans	-69.1	145.5	168.1	-58.1	176	179.9	175.7	0	109.5	H788 E789	K786-H788 WeakPolarHBondContact CB-NE2 3.3Å; K786-H788 PolarHBondContact O-N 3.4Å; K786-E789 HydrophobicContact CB-CG 4.06Å; K786-E789 PolarHBondContact N-OE2 3.34Å; K786-E789 PolarHBondContact O-N 2.81Å
787	A	56.5	Low	70.7	Confident	67 Å²	67	65.1 Å²	65.1	55%	0.554	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-22.8	-174.1	0	0	0	0	0	114.9
788	H	52.1	Low	70.6	Confident	55 Å²	55	68.2 Å²	68.2	26%	0.255	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.2	-176.8	24.9	-77.6	0	0	0	114.4	R498 I533 D534 K786	R498-H788 PolarHBondContact NH1-O 3.39Å; I533-H788 HydrophobicContact CG2-CB 4.44Å; D534-H788 WeakPolarHBondContact OD1-CB 3.23Å; K786-H788 WeakPolarHBondContact CB-NE2 3.3Å; K786-H788 PolarHBondContact O-N 3.4Å
789	E	58.8	Low	70.5	Confident	35 Å²	35	72.3 Å²	72.3	16%	0.164	35%	0.352	C	S	.	.	S	Bend	trans	-83	162.2	-178.4	-47.5	-178.3	107.2	0	0	111.6	R754 Y758 K785 K786	R754-E789 IonicContact CZ-OE1 3.61Å; R754-E789 IonicContact NE-OE1 3.13Å; R754-E789 PolarHBondContact NE-OE1 3.01Å; R754-E789 VanDerWaalsContact NH2-CG 3.27Å; R754-E789 IonicContact NH2-OE1 2.74Å; R754-E789 PolarHBondContact NH2-OE1 3.36Å; Y758-E789 VanDerWaalsContact OH-CD 3.26Å; Y758-E789 PolarHBondContact OH-OE1 3.35Å; Y758-E789 PolarHBondContact OH-OE2 2.89Å; K785-E789 HydrophobicContact CD-CB 3.74Å; K785-E789 WeakPolarHBondContact CE-O 3.41Å; K785-E789 HydrophobicContact CG-CB 3.61Å; K785-E789 HydrophobicContact CG-CG 4.31Å; K785-E789 PolarHBondContact NZ-O 2.85Å; K786-E789 HydrophobicContact CB-CG 4.06Å; K786-E789 PolarHBondContact N-OE2 3.34Å; K786-E789 PolarHBondContact O-N 2.81Å
790	E	59.1	Low	70.5	Confident	80 Å²	80	68 Å²	68	37%	0.374	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-68.5	147.4	-174	-74.5	171.7	161.5	0	0	112.3	K495 K785 L792	K495-E790 VanDerWaalsContact CD-OE1 3.32Å; K495-E790 WeakPolarHBondContact CD-OE1 3.29Å; K495-E790 WeakPolarHBondContact CE-OE1 3.43Å; K495-E790 IonicContact NZ-OE1 3.27Å; K495-E790 PolarHBondContact NZ-OE1 3.19Å; K495-E790 IonicContact NZ-OE2 3.1Å; K785-E790 WeakPolarHBondContact CD-O 3.4Å; K785-E790 PolarHBondContact NZ-O 2.96Å; E790-L792 PolarHBondContact O-N 2.77Å
791	R	63.4	Low	70.6	Confident	214 Å²	214	67.7 Å²	67.7	81%	0.808	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-62.3	131.7	169.9	-91	-169.3	171.9	163	-1	108.4
792	L	69.4	Low	70.6	Confident	34 Å²	34	74.1 Å²	74.1	18%	0.178	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74.6	132.9	177.5	-73.9	160.8	0	0	0	107.5	L755 L778 M781 E782 E790 V797	L755-L792 HydrophobicContact CD2-CD1 4.32Å; L755-L792 HydrophobicContact CD2-CD2 3.57Å; L755-L792 HydrophobicContact CG-CD2 4.11Å; L778-L792 HydrophobicContact CD1-CB 3.37Å; L778-L792 WeakPolarHBondContact CD1-O 2.74Å; M781-L792 HydrophobicContact CB-CD1 3.6Å; E782-L792 HydrophobicContact CG-CB 4.48Å; E790-L792 PolarHBondContact O-N 2.77Å; L792-V797 HydrophobicContact CB-CG2 4.24Å
793	N	70.9	Confident	70.8	Confident	87 Å²	87	74.8 Å²	74.8	47%	0.465	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-90.2	142.1	174.5	-167.8	-5.7	0	0	0	109.1	T795 I796 V797	N793-T795 PolarHBondContact ND2-OG1 3.4Å; N793-T795 PolarHBondContact O-N 3.02Å; N793-T795 PolarHBondContact OD1-OG1 2.91Å; N793-I796 HydrophobicContact CB-CD1 3.97Å; N793-I796 HydrophobicContact CB-CG1 4.11Å; N793-I796 PolarHBondContact O-N 3.44Å; N793-I796 VanDerWaalsContact O-N 3.11Å; N793-V797 PolarHBondContact O-N 3.46Å; N793-V797 VanDerWaalsContact O-N 3.11Å
794	L	74.8	Confident	71.1	Confident	50 Å²	50	68.2 Å²	68.2	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-54.9	-43.3	177.5	-170.7	70.2	0	0	0	111	A774 E775 L778 I796 V797 E798	A774-L794 HydrophobicContact CB-CD1 4.31Å; E775-L794 HydrophobicContact CB-CD1 4.41Å; E775-L794 HydrophobicContact CG-CD1 3.85Å; E775-L794 HydrophobicContact CG-CD2 4.29Å; L778-L794 HydrophobicContact CB-CD1 4.35Å; L778-L794 HydrophobicContact CD2-CB 4.05Å; L778-L794 HydrophobicContact CD2-CD1 3.86Å; L794-I796 VanDerWaalsContact C-N 3.32Å; L794-I796 PolarHBondContact O-N 3.2Å; L794-V797 PolarHBondContact O-N 3.35Å; L794-E798 HydrophobicContact CG-CG 4.46Å; L794-E798 WeakPolarHBondContact O-CB 3.34Å; L794-E798 WeakPolarHBondContact O-CG 3.48Å; L794-E798 PolarHBondContact O-N 3.34Å
795	T	75.8	Confident	71.5	Confident	70 Å²	70	67.1 Å²	67.1	43%	0.429	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-34.9	178.6	32.3	0	0	0	0	113.8	N793 Q799	N793-T795 PolarHBondContact ND2-OG1 3.4Å; N793-T795 PolarHBondContact O-N 3.02Å; N793-T795 PolarHBondContact OD1-OG1 2.91Å; T795-Q799 VanDerWaalsContact O-CG 3.26Å; T795-Q799 WeakPolarHBondContact O-CG 3.3Å; T795-Q799 PolarHBondContact O-N 2.89Å
796	I	74.2	Confident	71.7	Confident	41 Å²	41	72.4 Å²	72.4	21%	0.21	35%	0.353	C	S	.	.	H	α-helix	trans	-74.3	-40.2	178.7	-60.9	170.9	0	0	0	110	L755 N793 L794 Q799 F800	L755-I796 HydrophobicContact CD1-CG2 3.98Å; N793-I796 HydrophobicContact CB-CD1 3.97Å; N793-I796 HydrophobicContact CB-CG1 4.11Å; N793-I796 PolarHBondContact O-N 3.44Å; N793-I796 VanDerWaalsContact O-N 3.11Å; L794-I796 VanDerWaalsContact C-N 3.32Å; L794-I796 PolarHBondContact O-N 3.2Å; I796-Q799 PolarHBondContact O-N 2.73Å; I796-F800 PolarHBondContact O-N 2.91Å
797	V	77.4	Confident	72.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-40.5	175.6	175.3	0	0	0	0	110.8	L755 I777 L778 M781 L792 N793 L794 F800 L801	L755-V797 HydrophobicContact CD2-CG2 4.25Å; I777-V797 HydrophobicContact CG2-CG1 4.13Å; L778-V797 HydrophobicContact CD1-CG2 3.75Å; M781-V797 HydrophobicContact SD-CG1 4.45Å; M781-V797 HydrophobicContact SD-CG2 4.45Å; L792-V797 HydrophobicContact CB-CG2 4.24Å; N793-V797 PolarHBondContact O-N 3.46Å; N793-V797 VanDerWaalsContact O-N 3.11Å; L794-V797 PolarHBondContact O-N 3.35Å; V797-F800 WeakPolarHBondContact O-CB 3.35Å; V797-F800 PolarHBondContact O-N 3.44Å; V797-L801 HydrophobicContact CG1-CD1 3.92Å; V797-L801 HydrophobicContact CG1-CG 4.28Å; V797-L801 WeakPolarHBondContact O-CB 3.28Å; V797-L801 VanDerWaalsContact O-CG 3.24Å; V797-L801 WeakPolarHBondContact O-CG 3.35Å; V797-L801 PolarHBondContact O-N 3.36Å
798	E	79.2	Confident	72.9	Confident	73 Å²	73	68.8 Å²	68.8	34%	0.341	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-44.5	174.2	-75.8	175.1	172.7	0	0	112.4	A774 L794 F800 L801 K802	A774-E798 HydrophobicContact CB-CG 4.16Å; L794-E798 HydrophobicContact CG-CG 4.46Å; L794-E798 WeakPolarHBondContact O-CB 3.34Å; L794-E798 WeakPolarHBondContact O-CG 3.48Å; L794-E798 PolarHBondContact O-N 3.34Å; E798-F800 VanDerWaalsContact C-N 3.31Å; E798-F800 PolarHBondContact O-N 3.5Å; E798-L801 PolarHBondContact O-N 3.23Å; E798-K802 WeakPolarHBondContact O-CB 3.23Å; E798-K802 WeakPolarHBondContact O-CG 3.46Å; E798-K802 PolarHBondContact O-N 2.87Å
799	Q	77.3	Confident	73.7	Confident	111 Å²	111	69.6 Å²	69.6	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-40	174.4	-74.4	174.8	5.2	0	0	111.7	F752 T795 I796 K802 L803	F752-Q799 HydrophobicContact CZ-CB 4.44Å; T795-Q799 VanDerWaalsContact O-CG 3.26Å; T795-Q799 WeakPolarHBondContact O-CG 3.3Å; T795-Q799 PolarHBondContact O-N 2.89Å; I796-Q799 PolarHBondContact O-N 2.73Å; Q799-K802 PolarHBondContact O-N 3.5Å; Q799-L803 WeakPolarHBondContact O-CG 3.41Å; Q799-L803 PolarHBondContact O-N 3.04Å; Q799-L803 VanDerWaalsContact O-N 3.09Å
800	F	81.9	Confident	74.1	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-43.9	174.8	-179.4	-114.6	0	0	0	112.5	F752 L755 W759 M781 I796 V797 E798 K802 L803 K804	F752-F800 HydrophobicContact CD1-CB 3.94Å; F752-F800 AromaticContact CD1-CD2 3.46Å; F752-F800 HydrophobicContact CD1-CD2 3.46Å; F752-F800 VanDerWaalsContact CD1-CD2 3.46Å; F752-F800 HydrophobicContact CD1-CE2 4.35Å; F752-F800 HydrophobicContact CD1-CG 4.12Å; F752-F800 HydrophobicContact CE1-CB 3.7Å; F752-F800 HydrophobicContact CE1-CD2 4.01Å; F752-F800 HydrophobicContact CE1-CG 4.35Å; F752-F800 HydrophobicContact CG-CD2 4.49Å; L755-F800 HydrophobicContact CB-CD1 4.07Å; L755-F800 HydrophobicContact CB-CD2 4.19Å; L755-F800 HydrophobicContact CB-CE1 4Å; L755-F800 HydrophobicContact CB-CE2 4.06Å; L755-F800 HydrophobicContact CB-CG 4.14Å; L755-F800 HydrophobicContact CB-CZ 3.96Å; L755-F800 HydrophobicContact CD1-CB 3.95Å; L755-F800 HydrophobicContact CD1-CD1 4.48Å; L755-F800 HydrophobicContact CD1-CD2 4.48Å; L755-F800 HydrophobicContact CD1-CG 4.07Å; W759-F800 HydrophobicContact CB-CE1 4.12Å; W759-F800 HydrophobicContact CB-CZ 4.03Å; W759-F800 AromaticContact CD2-CE1 3.96Å; W759-F800 HydrophobicContact CD2-CE1 3.96Å; W759-F800 HydrophobicContact CD2-CZ 4.33Å; W759-F800 AromaticContact CE3-CE1 3.68Å; W759-F800 HydrophobicContact CE3-CE1 3.68Å; W759-F800 HydrophobicContact CE3-CZ 4.48Å; W759-F800 HydrophobicContact CG-CE1 4.16Å; W759-F800 HydrophobicContact CG-CZ 4.12Å; W759-F800 HydrophobicContact CZ3-CE1 4.49Å; M781-F800 HydrophobicContact CE-CE1 4.25Å; I796-F800 PolarHBondContact O-N 2.91Å; V797-F800 WeakPolarHBondContact O-CB 3.35Å; V797-F800 PolarHBondContact O-N 3.44Å; E798-F800 VanDerWaalsContact C-N 3.31Å; E798-F800 PolarHBondContact O-N 3.5Å; F800-K802 VanDerWaalsContact C-N 3.34Å; F800-L803 WeakPolarHBondContact O-CB 3.12Å; F800-L803 PolarHBondContact O-N 2.83Å; F800-K804 HydrophobicContact CE1-CG 4.26Å; F800-K804 VanDerWaalsContact CE2-CE 3.45Å; F800-K804 HydrophobicContact CZ-CD 4.41Å; F800-K804 HydrophobicContact CZ-CG 4.28Å; F800-K804 WeakPolarHBondContact O-CG 3.26Å; F800-K804 PolarHBondContact O-N 2.69Å
801	L	79.9	Confident	73.9	Confident	20 Å²	20	72.3 Å²	72.3	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-40.1	177.5	-70.6	171.1	0	0	0	111.1	W759 A774 I777 V797 E798 L803 K804 V805 L810	W759-L801 HydrophobicContact CH2-CD2 4.16Å; W759-L801 HydrophobicContact CZ3-CD2 3.71Å; A774-L801 HydrophobicContact CB-CD1 4.06Å; I777-L801 HydrophobicContact CD1-CD1 3.88Å; I777-L801 HydrophobicContact CD1-CD2 4.02Å; I777-L801 HydrophobicContact CG2-CD1 4.48Å; V797-L801 HydrophobicContact CG1-CD1 3.92Å; V797-L801 HydrophobicContact CG1-CG 4.28Å; V797-L801 WeakPolarHBondContact O-CB 3.28Å; V797-L801 VanDerWaalsContact O-CG 3.24Å; V797-L801 WeakPolarHBondContact O-CG 3.35Å; V797-L801 PolarHBondContact O-N 3.36Å; E798-L801 PolarHBondContact O-N 3.23Å; L801-L803 PolarHBondContact O-N 2.98Å; L801-K804 CarbonylContact O-C 3.58Å; L801-K804 PolarHBondContact O-N 3.45Å; L801-K804 VanDerWaalsContact O-N 3.08Å; L801-V805 WeakPolarHBondContact O-CG2 3.49Å; L801-V805 PolarHBondContact O-N 3.03Å; L801-L810 HydrophobicContact CD2-CD1 4.03Å
802	K	77.5	Confident	72.9	Confident	134 Å²	134	66.4 Å²	66.4	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-56.8	-47.3	172.2	-77.1	177.3	-179.9	178.9	0	111.5	E798 Q799 F800 K804 V805 E806	E798-K802 WeakPolarHBondContact O-CB 3.23Å; E798-K802 WeakPolarHBondContact O-CG 3.46Å; E798-K802 PolarHBondContact O-N 2.87Å; Q799-K802 PolarHBondContact O-N 3.5Å; F800-K802 VanDerWaalsContact C-N 3.34Å; K802-K804 VanDerWaalsContact C-N 3.27Å; K802-K804 PolarHBondContact O-N 3.48Å; K802-V805 WeakPolarHBondContact O-CB 3.31Å; K802-V805 PolarHBondContact O-N 3.39Å; K802-V805 VanDerWaalsContact O-N 3.14Å; K802-E806 WeakPolarHBondContact O-CG 3.49Å; K802-E806 PolarHBondContact O-N 3Å
803	L	81.1	Confident	71.3	Confident	82 Å²	82	70.6 Å²	70.6	43%	0.429	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-33.8	174.9	-71	170.6	0	0	0	112.9	F752 Q799 F800 L801 A807	F752-L803 HydrophobicContact CD1-CD1 4.37Å; F752-L803 HydrophobicContact CE1-CD1 3.8Å; F752-L803 HydrophobicContact CE2-CD1 4.21Å; F752-L803 HydrophobicContact CZ-CD1 3.71Å; Q799-L803 WeakPolarHBondContact O-CG 3.41Å; Q799-L803 PolarHBondContact O-N 3.04Å; Q799-L803 VanDerWaalsContact O-N 3.09Å; F800-L803 WeakPolarHBondContact O-CB 3.12Å; F800-L803 PolarHBondContact O-N 2.83Å; L801-L803 PolarHBondContact O-N 2.98Å; L803-A807 VanDerWaalsContact O-CB 3.27Å; L803-A807 WeakPolarHBondContact O-CB 3.5Å; L803-A807 PolarHBondContact O-N 3.49Å
804	K	80.1	Confident	69.6	Low	22 Å²	22	71.7 Å²	71.7	10%	0.096	40%	0.404	C	S	.	.	H	α-helix	trans	-75.1	-29.5	175.7	-65.3	-60.8	176	-163.9	0	113.6	E756 W759 F800 L801 K802 I809 L810	E756-K804 IonicContact OE1-NZ 2.88Å; E756-K804 PolarHBondContact OE1-NZ 2.81Å; W759-K804 HydrophobicContact CD2-CG 4.42Å; W759-K804 HydrophobicContact CH2-CB 4.42Å; W759-K804 HydrophobicContact CH2-CG 4.37Å; W759-K804 HydrophobicContact CZ2-CB 4.14Å; W759-K804 HydrophobicContact CZ2-CD 4.35Å; W759-K804 HydrophobicContact CZ2-CG 4Å; F800-K804 HydrophobicContact CE1-CG 4.26Å; F800-K804 VanDerWaalsContact CE2-CE 3.45Å; F800-K804 HydrophobicContact CZ-CD 4.41Å; F800-K804 HydrophobicContact CZ-CG 4.28Å; F800-K804 WeakPolarHBondContact O-CG 3.26Å; F800-K804 PolarHBondContact O-N 2.69Å; L801-K804 CarbonylContact O-C 3.58Å; L801-K804 PolarHBondContact O-N 3.45Å; L801-K804 VanDerWaalsContact O-N 3.08Å; K802-K804 VanDerWaalsContact C-N 3.27Å; K802-K804 PolarHBondContact O-N 3.48Å; K804-I809 HydrophobicContact CD-CD1 3.79Å; K804-I809 PolarHBondContact O-N 3Å; K804-L810 HydrophobicContact CB-CD1 3.96Å; K804-L810 HydrophobicContact CB-CG 4.36Å; K804-L810 PolarHBondContact O-N 3.38Å
805	V	77.2	Confident	67.2	Low	60 Å²	60	76 Å²	76	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-69.4	-46.8	170	173.8	0	0	0	0	110	L801 K802 A807 G808 L810	L801-V805 WeakPolarHBondContact O-CG2 3.49Å; L801-V805 PolarHBondContact O-N 3.03Å; K802-V805 WeakPolarHBondContact O-CB 3.31Å; K802-V805 PolarHBondContact O-N 3.39Å; K802-V805 VanDerWaalsContact O-N 3.14Å; V805-A807 VanDerWaalsContact C-N 3.29Å; V805-A807 PolarHBondContact O-N 3.38Å; V805-G808 PolarHBondContact O-N 3.29Å; V805-L810 HydrophobicContact CG2-CB 3.88Å; V805-L810 HydrophobicContact CG2-CD1 4.17Å
806	E	73.7	Confident	64.9	Low	155 Å²	155	80.4 Å²	80.4	72%	0.724	45%	0.447	S	S	*	.	H	α-helix	trans	-61.9	-35.6	176.6	-72.4	173.9	-173.9	0	0	112.6	K802 G808	K802-E806 WeakPolarHBondContact O-CG 3.49Å; K802-E806 PolarHBondContact O-N 3Å; E806-G808 PolarHBondContact O-N 3.07Å
807	A	76.6	Confident	62.7	Low	64 Å²	64	82.3 Å²	82.3	53%	0.529	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.3	173.6	0	0	0	0	0	114	L803 V805 I809	L803-A807 VanDerWaalsContact O-CB 3.27Å; L803-A807 WeakPolarHBondContact O-CB 3.5Å; L803-A807 PolarHBondContact O-N 3.49Å; V805-A807 VanDerWaalsContact C-N 3.29Å; V805-A807 PolarHBondContact O-N 3.38Å; A807-I809 HydrophobicContact CB-CD1 3.97Å; A807-I809 HydrophobicContact CB-CG1 4.12Å; A807-I809 PolarHBondContact O-N 3.05Å
808	G	70	Confident	60.4	Low	54 Å²	54	84.8 Å²	84.8	56%	0.557	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	16.2	-179.9	0	0	0	0	0	114.7	V805 E806	V805-G808 PolarHBondContact O-N 3.29Å; E806-G808 PolarHBondContact O-N 3.07Å
809	I	69.1	Low	58	Low	72 Å²	72	89.3 Å²	89.3	37%	0.369	51%	0.507	S	S	.	.	S	Bend	trans	-82.4	-31.7	179.6	-59.4	168.8	0	0	0	110.4	W759 K804 A807	W759-I809 HydrophobicContact CZ2-CG2 4.11Å; K804-I809 HydrophobicContact CD-CD1 3.79Å; K804-I809 PolarHBondContact O-N 3Å; A807-I809 HydrophobicContact CB-CD1 3.97Å; A807-I809 HydrophobicContact CB-CG1 4.12Å; A807-I809 PolarHBondContact O-N 3.05Å
810	L	66.6	Low	55.9	Low	30 Å²	30	90.8 Å²	90.8	16%	0.157	51%	0.514	C	S	.	.	S	Bend	trans	-113.2	131	173.3	-66.7	171.1	0	0	0	109.2	W759 I766 L801 K804 V805	W759-L810 HydrophobicContact CH2-CD1 3.63Å; W759-L810 HydrophobicContact CH2-CD2 3.88Å; W759-L810 HydrophobicContact CH2-CG 3.88Å; W759-L810 HydrophobicContact CZ2-CD1 4.22Å; W759-L810 HydrophobicContact CZ2-CD2 4.2Å; W759-L810 HydrophobicContact CZ2-CG 4.07Å; I766-L810 HydrophobicContact CD1-CD2 4.39Å; I766-L810 HydrophobicContact CG2-CD2 4.16Å; L801-L810 HydrophobicContact CD2-CD1 4.03Å; K804-L810 HydrophobicContact CB-CD1 3.96Å; K804-L810 HydrophobicContact CB-CG 4.36Å; K804-L810 PolarHBondContact O-N 3.38Å; V805-L810 HydrophobicContact CG2-CB 3.88Å; V805-L810 HydrophobicContact CG2-CD1 4.17Å
811	N	55.3	Low	53.6	Low	141 Å²	141	99.2 Å²	99.2	75%	0.754	55%	0.553	S	S	*	*			trans	-82.7	121.9	166.3	-70.4	-15.1	0	0	0	107.9	V813	N811-V813 HydrophobicContact CB-CG2 4.27Å; N811-V813 PolarHBondContact O-N 3.27Å
812	S	42.5	Very low	51.6	Low	90 Å²	90	100.2 Å²	100.2	63%	0.629	56%	0.56	S	S	*	*			trans	-61.4	99.2	166.2	174.8	0	0	0	0	108.2
813	V	35.3	Very low	49.8	Very low	123 Å²	123	97.3 Å²	97.3	75%	0.745	56%	0.555	S	S	*	*			trans	-114.1	93	168	-178.4	0	0	0	0	106.6	N811 I815	N811-V813 HydrophobicContact CB-CG2 4.27Å; N811-V813 PolarHBondContact O-N 3.27Å; V813-I815 PolarHBondContact O-N 3.37Å
814	T	35	Very low	47.7	Very low	109 Å²	109	97.6 Å²	97.6	67%	0.669	56%	0.556	S	S	*	*			trans	-76.3	102.4	165.6	35.3	0	0	0	0	108.8
815	I	26.4	Very low	45.8	Very low	140 Å²	140	104.6 Å²	104.6	72%	0.718	59%	0.589	S	S	*	*			trans	-150.2	101.5	141	-51.4	-177.9	0	0	0	107.7	V813 V817	V813-I815 PolarHBondContact O-N 3.37Å; I815-V817 HydrophobicContact CG2-CG2 4.16Å
816	N	27	Very low	44.1	Very low	163 Å²	163	108.4 Å²	108.4	87%	0.872	60%	0.603	S	S	*	*			trans	-140.8	120.8	134.2	-116.1	-13.4	0	0	0	107.6	G818	N816-G818 PolarHBondContact O-N 3.07Å
817	V	28	Very low	42.5	Very low	81 Å²	81	102.9 Å²	102.9	49%	0.491	58%	0.578	S	S	.	*			trans	-81.2	106.3	-173.9	-168.9	0	0	0	0	107.8	I815 R948	I815-V817 HydrophobicContact CG2-CG2 4.16Å; V817-R948 VanDerWaalsContact CG1-CZ 3.49Å; V817-R948 VanDerWaalsContact CG1-NE 3.33Å; V817-R948 PolarHBondContact O-NH2 2.84Å
818	G	27.9	Very low	40.8	Very low	52 Å²	52	101.5 Å²	101.5	54%	0.536	56%	0.563	S	S	.	*	S	Bend	trans	124.4	121.1	173.6	0	0	0	0	0	112.2	N816	N816-G818 PolarHBondContact O-N 3.07Å
819	E	30.2	Very low	39.7	Very low	168 Å²	168	100.5 Å²	100.5	79%	0.785	55%	0.553	S	S	*	*			trans	92.2	66.1	-171.7	-56.7	178	178	0	0	115
820	E	33.5	Very low	38.5	Very low	142 Å²	142	100.3 Å²	100.3	66%	0.664	55%	0.549	S	S	*	.			trans	-119.4	121.3	159.2	-81	-171.4	161.7	0	0	110	N955	E820-N955 PolarHBondContact OE2-ND2 2.89Å
821	E	31.6	Very low	37.3	Very low	181 Å²	181	100 Å²	100	85%	0.846	55%	0.548	S	S	*	.			trans	-85.1	115.8	156.4	-75.9	-171.8	158.9	0	0	107.8
822	V	38.8	Very low	37	Very low	41 Å²	41	96.6 Å²	96.6	25%	0.248	54%	0.535	C	S	.	.			trans	-86.7	130	180	179.6	0	0	0	0	109.7	I824 I827	V822-I824 PolarHBondContact O-N 3.27Å; V822-I827 HydrophobicContact CB-CD1 4.28Å; V822-I827 HydrophobicContact CG1-CD1 3.94Å; V822-I827 HydrophobicContact CG1-CG1 3.85Å
823	P	39.1	Very low	37.2	Very low	74 Å²	74	96.9 Å²	96.9	48%	0.481	54%	0.537	S	S	.	.			trans	-64.7	126.3	172	-15.4	28.2	0	0	0	110.4	E825 Q826	P823-E825 PolarHBondContact O-N 2.92Å; P823-Q826 PolarHBondContact O-N 3.38Å
824	I	37.7	Very low	38	Very low	88 Å²	88	93.3 Å²	93.3	45%	0.451	51%	0.514	S	S	.	.	H	α-helix	trans	-46.8	-36.3	-178.6	-70.6	168.9	0	0	0	112.1	V822 Q826 I827 V828 E909	V822-I824 PolarHBondContact O-N 3.27Å; I824-Q826 VanDerWaalsContact C-N 3.27Å; I824-Q826 PolarHBondContact O-N 3Å; I824-Q826 VanDerWaalsContact O-N 3.17Å; I824-I827 PolarHBondContact O-N 3.06Å; I824-I827 VanDerWaalsContact O-N 3.11Å; I824-V828 HydrophobicContact CG2-CG2 3.98Å; I824-V828 WeakPolarHBondContact O-CG2 3.43Å; I824-V828 PolarHBondContact O-N 3.36Å; I824-E909 HydrophobicContact CG2-CG 4.03Å; I824-E909 WeakPolarHBondContact CG2-OE1 3.4Å
825	E	40.3	Very low	38.7	Very low	169 Å²	169	91.5 Å²	91.5	79%	0.79	51%	0.51	S	S	*	.	H	α-helix	trans	-56.9	-31.1	-180	-63.1	167.4	-178.1	0	0	114.4	P823 G829	P823-E825 PolarHBondContact O-N 2.92Å; E825-G829 PolarHBondContact O-N 3.42Å
826	Q	41.9	Very low	40.2	Very low	139 Å²	139	91.2 Å²	91.2	65%	0.65	51%	0.505	S	S	*	.	H	α-helix	trans	-79.4	-34.8	177.5	-76.8	-173	-13.7	0	0	112.8	P823 I824 V828 G829 F830	P823-Q826 PolarHBondContact O-N 3.38Å; I824-Q826 VanDerWaalsContact C-N 3.27Å; I824-Q826 PolarHBondContact O-N 3Å; I824-Q826 VanDerWaalsContact O-N 3.17Å; Q826-V828 VanDerWaalsContact C-N 3.3Å; Q826-G829 PolarHBondContact O-N 3.34Å; Q826-F830 WeakPolarHBondContact O-CB 3.25Å; Q826-F830 PolarHBondContact O-N 3.24Å
827	I	38.8	Very low	41.3	Very low	40 Å²	40	87.1 Å²	87.1	21%	0.205	48%	0.483	C	S	.	.	H	α-helix	trans	-65.1	-40.2	173.2	-63.9	171.6	0	0	0	109.4	V822 I824 F830 L831	V822-I827 HydrophobicContact CB-CD1 4.28Å; V822-I827 HydrophobicContact CG1-CD1 3.94Å; V822-I827 HydrophobicContact CG1-CG1 3.85Å; I824-I827 PolarHBondContact O-N 3.06Å; I824-I827 VanDerWaalsContact O-N 3.11Å; I827-F830 PolarHBondContact O-N 3.09Å; I827-L831 HydrophobicContact CG2-CD1 3.73Å; I827-L831 HydrophobicContact CG2-CG 4.42Å; I827-L831 VanDerWaalsContact O-CB 3.29Å; I827-L831 WeakPolarHBondContact O-CB 3.47Å; I827-L831 WeakPolarHBondContact O-CG 3.16Å; I827-L831 PolarHBondContact O-N 3Å
828	V	42.6	Very low	42.4	Very low	35 Å²	35	84 Å²	84	21%	0.212	47%	0.466	C	S	.	.	H	α-helix	trans	-65.9	-44.3	175.4	177.3	0	0	0	0	112	I824 Q826 F830 S832 F905 E909	I824-V828 HydrophobicContact CG2-CG2 3.98Å; I824-V828 WeakPolarHBondContact O-CG2 3.43Å; I824-V828 PolarHBondContact O-N 3.36Å; Q826-V828 VanDerWaalsContact C-N 3.3Å; V828-F830 VanDerWaalsContact C-N 3.34Å; V828-F830 PolarHBondContact O-N 3.35Å; V828-S832 WeakPolarHBondContact O-CB 3.36Å; V828-S832 PolarHBondContact O-N 2.94Å; V828-S832 PolarHBondContact O-OG 2.95Å; V828-F905 HydrophobicContact CG1-CE1 4.32Å; V828-E909 HydrophobicContact CG2-CB 4.44Å; V828-E909 HydrophobicContact CG2-CG 3.47Å; V828-E909 VanDerWaalsContact CG2-CG 3.47Å; V828-E909 WeakPolarHBondContact CG2-OE1 3.4Å; V828-E909 VanDerWaalsContact CG2-OE2 3.28Å; V828-E909 WeakPolarHBondContact CG2-OE2 3.43Å
829	G	45.7	Very low	43.6	Very low	33 Å²	33	86.5 Å²	86.5	34%	0.34	46%	0.463	S	S	.	.	H	α-helix	trans	-61.5	-39.2	175.8	0	0	0	0	0	113.3	E825 Q826 S832 S833	E825-G829 PolarHBondContact O-N 3.42Å; Q826-G829 PolarHBondContact O-N 3.34Å; G829-S832 WeakPolarHBondContact CA-OG 3.4Å; G829-S832 PolarHBondContact O-OG 2.98Å; G829-S832 VanDerWaalsContact O-OG 3.06Å; G829-S833 WeakPolarHBondContact O-CB 3.31Å; G829-S833 PolarHBondContact O-N 3.18Å; G829-S833 PolarHBondContact O-OG 3.01Å
830	F	44	Very low	44.9	Very low	67 Å²	67	81.6 Å²	81.6	29%	0.294	45%	0.445	S	S	.	.	H	α-helix	trans	-72.7	-47.5	179.1	177.1	-100.2	0	0	0	112.8	Q826 I827 V828 S832 S833 N834 L954	Q826-F830 WeakPolarHBondContact O-CB 3.25Å; Q826-F830 PolarHBondContact O-N 3.24Å; I827-F830 PolarHBondContact O-N 3.09Å; V828-F830 VanDerWaalsContact C-N 3.34Å; V828-F830 PolarHBondContact O-N 3.35Å; F830-S832 VanDerWaalsContact C-N 3.28Å; F830-S832 PolarHBondContact O-N 3.04Å; F830-S833 PolarHBondContact O-N 3.37Å; F830-N834 PolarHBondContact O-N 3.36Å; F830-N834 PolarHBondContact O-ND2 3.42Å; F830-L954 HydrophobicContact CE1-CD2 4.44Å
831	L	42.6	Very low	45.7	Very low	24 Å²	24	76 Å²	76	13%	0.126	42%	0.423	C	S	.	.	H	α-helix	trans	-65.5	-35.9	179.3	-74.1	171.4	0	0	0	109.2	I827 S833 N834 A835 F905	I827-L831 HydrophobicContact CG2-CD1 3.73Å; I827-L831 HydrophobicContact CG2-CG 4.42Å; I827-L831 VanDerWaalsContact O-CB 3.29Å; I827-L831 WeakPolarHBondContact O-CB 3.47Å; I827-L831 WeakPolarHBondContact O-CG 3.16Å; I827-L831 PolarHBondContact O-N 3Å; L831-S833 VanDerWaalsContact C-N 3.28Å; L831-S833 PolarHBondContact O-N 2.9Å; L831-N834 CarbonylContact O-C 3.57Å; L831-N834 PolarHBondContact O-N 3.2Å; L831-A835 PolarHBondContact O-N 3.16Å; L831-F905 HydrophobicContact CB-CE1 4.09Å; L831-F905 HydrophobicContact CB-CE2 3.3Å; L831-F905 HydrophobicContact CB-CZ 3Å; L831-F905 HydrophobicContact CD1-CZ 4.45Å; L831-F905 HydrophobicContact CG-CZ 4.32Å; L831-F905 WeakPolarHBondContact O-CE2 3.37Å
832	S	47.7	Very low	46.9	Very low	70 Å²	70	68.4 Å²	68.4	49%	0.49	39%	0.389	S	S	.	.	H	α-helix	trans	-73.7	-26.1	-175	53.9	0	0	0	0	111.6	V828 G829 F830 N834 F905	V828-S832 WeakPolarHBondContact O-CB 3.36Å; V828-S832 PolarHBondContact O-N 2.94Å; V828-S832 PolarHBondContact O-OG 2.95Å; G829-S832 WeakPolarHBondContact CA-OG 3.4Å; G829-S832 PolarHBondContact O-OG 2.98Å; G829-S832 VanDerWaalsContact O-OG 3.06Å; F830-S832 VanDerWaalsContact C-N 3.28Å; F830-S832 PolarHBondContact O-N 3.04Å; S832-N834 VanDerWaalsContact C-N 3.35Å; S832-F905 VanDerWaalsContact CA-CZ 3.48Å
833	S	47.4	Very low	48	Very low	96 Å²	96	71.9 Å²	71.9	67%	0.671	40%	0.402	S	S	*	.	H	α-helix	trans	-78.5	-16.3	172.6	-56.4	0	0	0	0	113.2	G829 F830 L831	G829-S833 WeakPolarHBondContact O-CB 3.31Å; G829-S833 PolarHBondContact O-N 3.18Å; G829-S833 PolarHBondContact O-OG 3.01Å; F830-S833 PolarHBondContact O-N 3.37Å; L831-S833 VanDerWaalsContact C-N 3.28Å; L831-S833 PolarHBondContact O-N 2.9Å
834	N	51.6	Low	48.9	Very low	48 Å²	48	71 Å²	71	26%	0.257	39%	0.392	S	S	.	.			trans	-129.9	44.3	-172.6	-67.4	-67	0	0	0	113.3	F830 L831 S832 H836 L837	F830-N834 PolarHBondContact O-N 3.36Å; F830-N834 PolarHBondContact O-ND2 3.42Å; L831-N834 CarbonylContact O-C 3.57Å; L831-N834 PolarHBondContact O-N 3.2Å; S832-N834 VanDerWaalsContact C-N 3.35Å; N834-H836 PolarHBondContact O-N 3.34Å; N834-L837 HydrophobicContact CB-CD1 4.23Å; N834-L837 PolarHBondContact O-N 3.1Å
835	A	50.6	Low	49.7	Very low	71 Å²	71	68.2 Å²	68.2	59%	0.587	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-53.7	-21.8	-176.7	0	0	0	0	0	115.5	L831 L837 A838	L831-A835 PolarHBondContact O-N 3.16Å; A835-L837 VanDerWaalsContact C-N 3.31Å; A835-L837 PolarHBondContact O-N 2.92Å; A835-A838 WeakPolarHBondContact O-CB 3.34Å; A835-A838 PolarHBondContact O-N 3.21Å
836	H	57	Low	50.8	Low	134 Å²	134	64.6 Å²	64.6	62%	0.62	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-73	-19.4	177.2	66.3	-76.8	0	0	0	114	N834 H839	N834-H836 PolarHBondContact O-N 3.34Å; H836-H839 PolarHBondContact O-CE1 2.93Å; H836-H839 PolarHBondContact O-ND1 3.48Å
837	L	49.6	Very low	51.8	Low	77 Å²	77	63.1 Å²	63.1	40%	0.403	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-91.6	-2.7	178.6	-63.8	175.2	0	0	0	113.3	N834 A835 H839 V840 A841	N834-L837 HydrophobicContact CB-CD1 4.23Å; N834-L837 PolarHBondContact O-N 3.1Å; A835-L837 VanDerWaalsContact C-N 3.31Å; A835-L837 PolarHBondContact O-N 2.92Å; L837-H839 PolarHBondContact O-N 3.07Å; L837-H839 VanDerWaalsContact O-N 3.13Å; L837-V840 PolarHBondContact O-N 3.32Å; L837-A841 PolarHBondContact O-N 3.04Å; L837-A841 VanDerWaalsContact O-N 3.08Å
838	A	51.1	Low	52.7	Low	16 Å²	16	63.6 Å²	63.6	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-55	-34.6	-178.3	0	0	0	0	0	113.1	A835 A841 V842	A835-A838 WeakPolarHBondContact O-CB 3.34Å; A835-A838 PolarHBondContact O-N 3.21Å; A838-A841 PolarHBondContact O-N 2.99Å; A838-V842 VanDerWaalsContact O-CG2 3.26Å; A838-V842 WeakPolarHBondContact O-CG2 3.33Å; A838-V842 PolarHBondContact O-N 3.48Å
839	H	54.9	Low	53.6	Low	104 Å²	104	63.5 Å²	63.5	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-65.9	-37.7	177	76.2	-81.3	0	0	0	113.3	H836 L837 E843 L902	H836-H839 PolarHBondContact O-CE1 2.93Å; H836-H839 PolarHBondContact O-ND1 3.48Å; L837-H839 PolarHBondContact O-N 3.07Å; L837-H839 VanDerWaalsContact O-N 3.13Å; H839-E843 PolarHBondContact O-N 3.34Å; H839-L902 HydrophobicContact CB-CD2 3.43Å; H839-L902 VanDerWaalsContact CB-CD2 3.43Å
840	V	56.3	Low	54.5	Low	64 Å²	64	69.3 Å²	69.3	39%	0.388	37%	0.366	S	S	.	.	H	α-helix	trans	-72	-41.7	177.3	-174.9	0	0	0	0	109.8	L837 V842 E843 E844	L837-V840 PolarHBondContact O-N 3.32Å; V840-V842 PolarHBondContact O-N 3.44Å; V840-E843 PolarHBondContact O-N 3.19Å; V840-E844 HydrophobicContact CG1-CG 4.4Å; V840-E844 WeakPolarHBondContact O-CG 3.43Å; V840-E844 PolarHBondContact O-N 2.96Å
841	A	51.5	Low	55.4	Low	26 Å²	26	69 Å²	69	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-41.9	177.3	0	0	0	0	0	112.3	L837 A838 E844 V845	L837-A841 PolarHBondContact O-N 3.04Å; L837-A841 VanDerWaalsContact O-N 3.08Å; A838-A841 PolarHBondContact O-N 2.99Å; A841-E844 PolarHBondContact O-N 2.94Å; A841-V845 WeakPolarHBondContact O-CB 3.5Å; A841-V845 VanDerWaalsContact O-CG2 3.23Å; A841-V845 WeakPolarHBondContact O-CG2 3.46Å; A841-V845 PolarHBondContact O-N 3.27Å
842	V	56.5	Low	56.1	Low	21 Å²	21	68.9 Å²	68.9	13%	0.127	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-40.2	177.1	172.1	0	0	0	0	111.9	A838 V840 K846 I900 V908	A838-V842 VanDerWaalsContact O-CG2 3.26Å; A838-V842 WeakPolarHBondContact O-CG2 3.33Å; A838-V842 PolarHBondContact O-N 3.48Å; V840-V842 PolarHBondContact O-N 3.44Å; V842-K846 HydrophobicContact CG1-CD 4.48Å; V842-K846 WeakPolarHBondContact O-CG 3.31Å; V842-K846 PolarHBondContact O-N 3.21Å; V842-K846 VanDerWaalsContact O-N 3.08Å; V842-I900 HydrophobicContact CG2-CG2 3.86Å; V842-V908 HydrophobicContact CG2-CG2 3.78Å
843	E	61.2	Low	56.8	Low	113 Å²	113	68.7 Å²	68.7	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-44.5	173.9	-91.4	-93.2	139.3	0	0	112.2	H839 V840 K846 K847	H839-E843 PolarHBondContact O-N 3.34Å; V840-E843 PolarHBondContact O-N 3.19Å; E843-K846 PolarHBondContact O-N 2.93Å; E843-K847 WeakPolarHBondContact O-CG 3.36Å; E843-K847 PolarHBondContact O-N 3.43Å
844	E	57.5	Low	57.7	Low	55 Å²	55	68.6 Å²	68.6	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-71.3	-36.5	-179.6	-67	-57.5	133.9	0	0	112.5	V840 A841 K846 K847 L848 F950	V840-E844 HydrophobicContact CG1-CG 4.4Å; V840-E844 WeakPolarHBondContact O-CG 3.43Å; V840-E844 PolarHBondContact O-N 2.96Å; A841-E844 PolarHBondContact O-N 2.94Å; E844-K846 VanDerWaalsContact C-N 3.32Å; E844-K846 PolarHBondContact O-N 3.21Å; E844-K847 PolarHBondContact O-N 3.44Å; E844-K847 IonicContact OE1-NZ 2.72Å; E844-K847 PolarHBondContact OE1-NZ 3.38Å; E844-L848 WeakPolarHBondContact O-CB 3.44Å; E844-L848 PolarHBondContact O-N 2.88Å; E844-F950 HydrophobicContact CB-CE1 4.26Å; E844-F950 HydrophobicContact CB-CE2 4.11Å; E844-F950 HydrophobicContact CB-CZ 3.52Å; E844-F950 HydrophobicContact CG-CE2 3.92Å; E844-F950 HydrophobicContact CG-CZ 3.67Å
845	V	56	Low	58.1	Low	30 Å²	30	69 Å²	69	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-39.8	171.4	168	0	0	0	0	111.1	A841 L848 R849 V912 L915	A841-V845 WeakPolarHBondContact O-CB 3.5Å; A841-V845 VanDerWaalsContact O-CG2 3.23Å; A841-V845 WeakPolarHBondContact O-CG2 3.46Å; A841-V845 PolarHBondContact O-N 3.27Å; V845-L848 PolarHBondContact O-N 3.23Å; V845-R849 WeakPolarHBondContact O-CB 3.43Å; V845-R849 PolarHBondContact O-N 2.94Å; V845-V912 HydrophobicContact CG2-CG2 4.26Å; V845-L915 HydrophobicContact CG1-CD1 3.87Å
846	K	62.7	Low	58.6	Low	94 Å²	94	66.1 Å²	66.1	41%	0.409	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-37.4	175.2	-75.5	-177.9	177.1	-164.7	0	112.6	V842 E843 E844 K850 E898	V842-K846 HydrophobicContact CG1-CD 4.48Å; V842-K846 WeakPolarHBondContact O-CG 3.31Å; V842-K846 PolarHBondContact O-N 3.21Å; V842-K846 VanDerWaalsContact O-N 3.08Å; E843-K846 PolarHBondContact O-N 2.93Å; E844-K846 VanDerWaalsContact C-N 3.32Å; E844-K846 PolarHBondContact O-N 3.21Å; K846-K850 PolarHBondContact O-N 3.47Å; K846-E898 PolarHBondContact NZ-O 2.9Å
847	K	62.5	Low	59	Low	107 Å²	107	61.4 Å²	61.4	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-67.3	-43.9	174.8	-70.7	173.9	-169.1	167.9	0	111.7	E843 E844 R849 K850 A851	E843-K847 WeakPolarHBondContact O-CG 3.36Å; E843-K847 PolarHBondContact O-N 3.43Å; E844-K847 PolarHBondContact O-N 3.44Å; E844-K847 IonicContact OE1-NZ 2.72Å; E844-K847 PolarHBondContact OE1-NZ 3.38Å; K847-R849 PolarHBondContact O-N 3.34Å; K847-K850 PolarHBondContact O-N 2.95Å; K847-A851 PolarHBondContact O-N 2.89Å; K847-A851 VanDerWaalsContact O-N 3.08Å
848	L	58.9	Low	59.8	Low	50 Å²	50	61.7 Å²	61.7	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-44.2	177.7	-177.5	65.1	0	0	0	111.5	E844 V845 K850 A851 L852 L915 I919 V947	E844-L848 WeakPolarHBondContact O-CB 3.44Å; E844-L848 PolarHBondContact O-N 2.88Å; V845-L848 PolarHBondContact O-N 3.23Å; L848-K850 PolarHBondContact O-N 3.16Å; L848-A851 PolarHBondContact O-N 3.42Å; L848-L852 HydrophobicContact CD1-CD1 4.44Å; L848-L852 HydrophobicContact CG-CD1 4.06Å; L848-L852 WeakPolarHBondContact O-CG 2.96Å; L848-L852 PolarHBondContact O-N 3.15Å; L848-L915 HydrophobicContact CD2-CD1 4.37Å; L848-I919 HydrophobicContact CD2-CD1 4.44Å; L848-V947 HydrophobicContact CD1-CG2 4.13Å
849	R	61.7	Low	60.2	Low	33 Å²	33	61.3 Å²	61.3	13%	0.125	32%	0.32	C	S	.	.	H	α-helix	trans	-55.4	-51.7	174.9	-177.3	-179.7	-177.5	-151.9	-5.9	112	V845 K847 A851 L852 D853 F891 D895 E898	V845-R849 WeakPolarHBondContact O-CB 3.43Å; V845-R849 PolarHBondContact O-N 2.94Å; K847-R849 PolarHBondContact O-N 3.34Å; R849-A851 VanDerWaalsContact C-N 3.29Å; R849-A851 PolarHBondContact O-N 3.45Å; R849-L852 PolarHBondContact O-N 3.31Å; R849-L852 VanDerWaalsContact O-N 3.12Å; R849-D853 PolarHBondContact O-N 2.88Å; R849-F891 HydrophobicContact CG-CD1 4.37Å; R849-F891 HydrophobicContact CG-CE1 4.22Å; R849-F891 PolarHBondContact NH2-O 3.21Å; R849-D895 IonicContact CZ-OD1 3.91Å; R849-D895 IonicContact NH1-OD1 2.61Å; R849-D895 PolarHBondContact NH1-OD1 2.94Å; R849-D895 IonicContact NH2-OD1 3.74Å; R849-D895 PolarHBondContact NH2-OD1 3.29Å; R849-D895 IonicContact NH2-OD2 3.76Å; R849-D895 PolarHBondContact NH2-OD2 2.9Å; R849-E898 IonicContact NH1-OE1 3.74Å
850	K	64.5	Low	60.6	Low	155 Å²	155	59.9 Å²	59.9	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-38.4	179.2	-74.3	-178.1	179.1	-178.2	0	112.8	K846 K847 L848 V854	K846-K850 PolarHBondContact O-N 3.47Å; K847-K850 PolarHBondContact O-N 2.95Å; L848-K850 PolarHBondContact O-N 3.16Å; K850-V854 WeakPolarHBondContact O-CG2 3.48Å; K850-V854 PolarHBondContact O-N 2.95Å
851	A	61.4	Low	61	Low	60 Å²	60	63.7 Å²	63.7	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-38.9	176.8	0	0	0	0	0	111.9	K847 L848 R849 R855	K847-A851 PolarHBondContact O-N 2.89Å; K847-A851 VanDerWaalsContact O-N 3.08Å; L848-A851 PolarHBondContact O-N 3.42Å; R849-A851 VanDerWaalsContact C-N 3.29Å; R849-A851 PolarHBondContact O-N 3.45Å; A851-R855 PolarHBondContact O-N 3.36Å
852	L	58.4	Low	61.6	Low	23 Å²	23	65.8 Å²	65.8	12%	0.12	34%	0.335	C	S	.	.	H	α-helix	trans	-68.5	-42.2	177.2	-70.5	165.5	0	0	0	112.3	L848 R849 V854 R855 C856 F891 L915 I919 L922	L848-L852 HydrophobicContact CD1-CD1 4.44Å; L848-L852 HydrophobicContact CG-CD1 4.06Å; L848-L852 WeakPolarHBondContact O-CG 2.96Å; L848-L852 PolarHBondContact O-N 3.15Å; R849-L852 PolarHBondContact O-N 3.31Å; R849-L852 VanDerWaalsContact O-N 3.12Å; L852-V854 VanDerWaalsContact C-N 3.33Å; L852-V854 PolarHBondContact O-N 3.36Å; L852-R855 PolarHBondContact O-N 2.96Å; L852-C856 WeakPolarHBondContact O-CB 3.35Å; L852-C856 PolarHBondContact O-N 2.95Å; L852-C856 PolarHBondContact O-SG 3.36Å; L852-C856 VanDerWaalsContact O-SG 3.33Å; L852-F891 HydrophobicContact CB-CE1 4.23Å; L852-F891 HydrophobicContact CB-CZ 3.77Å; L852-F891 HydrophobicContact CD1-CZ 4.5Å; L852-L915 HydrophobicContact CD1-CD2 4.02Å; L852-I919 HydrophobicContact CD1-CG1 4.38Å; L852-L922 HydrophobicContact CD2-CD1 3.63Å
853	D	61.5	Low	61.8	Low	66 Å²	66	65.6 Å²	65.6	35%	0.353	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-44.7	177.8	-74	-23.6	0	0	0	111.8	R849 R855 G857 F891	R849-D853 PolarHBondContact O-N 2.88Å; D853-R855 PolarHBondContact O-N 2.99Å; D853-G857 PolarHBondContact O-N 3.16Å; D853-G857 VanDerWaalsContact O-N 3.11Å; D853-F891 WeakPolarHBondContact OD1-CD1 3.37Å; D853-F891 WeakPolarHBondContact OD1-CE1 3.22Å
854	V	65.7	Low	61.7	Low	93 Å²	93	62 Å²	62	56%	0.564	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-45.5	176.9	173.4	0	0	0	0	110.6	K850 L852 G857 E858	K850-V854 WeakPolarHBondContact O-CG2 3.48Å; K850-V854 PolarHBondContact O-N 2.95Å; L852-V854 VanDerWaalsContact C-N 3.33Å; L852-V854 PolarHBondContact O-N 3.36Å; V854-G857 PolarHBondContact O-N 3.29Å; V854-E858 WeakPolarHBondContact O-CG 3.29Å; V854-E858 PolarHBondContact O-N 3.45Å; V854-E858 VanDerWaalsContact O-N 3.08Å
855	R	61.9	Low	61.9	Low	57 Å²	57	66.8 Å²	66.8	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-68.7	-38.8	-177.4	-175.2	58	-178.4	165.5	4.1	113	A851 L852 D853 G857 E858 L859	A851-R855 PolarHBondContact O-N 3.36Å; L852-R855 PolarHBondContact O-N 2.96Å; D853-R855 PolarHBondContact O-N 2.99Å; R855-G857 VanDerWaalsContact C-N 3.32Å; R855-E858 WeakPolarHBondContact CD-OE2 3.47Å; R855-E858 IonicContact CZ-OE2 3.59Å; R855-E858 IonicContact NH1-OE2 2.91Å; R855-E858 PolarHBondContact NH1-OE2 2.91Å; R855-E858 PolarHBondContact O-N 2.97Å; R855-L859 HydrophobicContact CG-CD1 4.4Å; R855-L859 WeakPolarHBondContact O-CG 3.43Å; R855-L859 PolarHBondContact O-N 3.37Å
856	C	60.8	Low	62	Low	11 Å²	11	68.6 Å²	68.6	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-43.6	173	-78	0	0	0	0	111.3	L852 L859 L860 F884	L852-C856 WeakPolarHBondContact O-CB 3.35Å; L852-C856 PolarHBondContact O-N 2.95Å; L852-C856 PolarHBondContact O-SG 3.36Å; L852-C856 VanDerWaalsContact O-SG 3.33Å; C856-L859 PolarHBondContact O-N 3.25Å; C856-L860 PolarHBondContact O-N 3.09Å; C856-F884 HydrophobicContact CB-CE1 3.8Å; C856-F884 WeakPolarHBondContact O-CE1 3.37Å
857	G	64.5	Low	61.5	Low	35 Å²	35	68.8 Å²	68.8	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175.4	0	0	0	0	0	113.3	D853 V854 R855 L860 E861	D853-G857 PolarHBondContact O-N 3.16Å; D853-G857 VanDerWaalsContact O-N 3.11Å; V854-G857 PolarHBondContact O-N 3.29Å; R855-G857 VanDerWaalsContact C-N 3.32Å; G857-L860 PolarHBondContact O-N 3.27Å; G857-E861 PolarHBondContact O-N 2.94Å; G857-E861 VanDerWaalsContact O-N 3.13Å
858	E	65.6	Low	60.9	Low	83 Å²	83	68.3 Å²	68.3	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.2	-70.9	174.9	176.1	0	0	112.6	V854 R855 E861 Q862	V854-E858 WeakPolarHBondContact O-CG 3.29Å; V854-E858 PolarHBondContact O-N 3.45Å; V854-E858 VanDerWaalsContact O-N 3.08Å; R855-E858 WeakPolarHBondContact CD-OE2 3.47Å; R855-E858 IonicContact CZ-OE2 3.59Å; R855-E858 IonicContact NH1-OE2 2.91Å; R855-E858 PolarHBondContact NH1-OE2 2.91Å; R855-E858 PolarHBondContact O-N 2.97Å; E858-E861 PolarHBondContact O-N 3.01Å; E858-Q862 VanDerWaalsContact O-CG 3.31Å; E858-Q862 WeakPolarHBondContact O-CG 3.47Å; E858-Q862 PolarHBondContact O-N 2.53Å
859	L	61	Low	60.6	Low	8 Å²	8	73.8 Å²	73.8	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-43.1	178.4	-75.6	172.3	0	0	0	110.9	R855 C856 E861 Q862 F863 F884 L922	R855-L859 HydrophobicContact CG-CD1 4.4Å; R855-L859 WeakPolarHBondContact O-CG 3.43Å; R855-L859 PolarHBondContact O-N 3.37Å; C856-L859 PolarHBondContact O-N 3.25Å; L859-E861 VanDerWaalsContact C-N 3.34Å; L859-E861 PolarHBondContact O-N 3.4Å; L859-Q862 PolarHBondContact O-N 2.87Å; L859-F863 HydrophobicContact CB-CD2 4.29Å; L859-F863 HydrophobicContact CB-CE2 4.2Å; L859-F863 HydrophobicContact CD2-CE2 4.2Å; L859-F863 WeakPolarHBondContact O-CD2 3.16Å; L859-F863 PolarHBondContact O-N 3.03Å; L859-F884 HydrophobicContact CB-CE2 4.41Å; L859-F884 HydrophobicContact CB-CZ 3.86Å; L859-L922 HydrophobicContact CD1-CD2 4.2Å
860	L	62.7	Low	60.5	Low	74 Å²	74	76.1 Å²	76.1	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-58.9	-42.3	175.5	-81.4	163.8	0	0	0	112.6	C856 G857 F863 G864 F884	C856-L860 PolarHBondContact O-N 3.09Å; G857-L860 PolarHBondContact O-N 3.27Å; L860-F863 PolarHBondContact O-N 3.19Å; L860-G864 PolarHBondContact O-N 3.39Å; L860-F884 HydrophobicContact CD1-CD1 3.7Å; L860-F884 HydrophobicContact CD1-CE1 3.72Å; L860-F884 HydrophobicContact CD1-CG 4.43Å; L860-F884 HydrophobicContact CD1-CZ 4.48Å; L860-F884 HydrophobicContact CD2-CB 4.36Å; L860-F884 HydrophobicContact CD2-CD1 3.94Å; L860-F884 HydrophobicContact CD2-CD2 4.05Å; L860-F884 HydrophobicContact CD2-CE1 4.23Å; L860-F884 HydrophobicContact CD2-CE2 4.33Å; L860-F884 HydrophobicContact CD2-CG 3.84Å; L860-F884 HydrophobicContact CD2-CZ 4.42Å; L860-F884 HydrophobicContact CG-CD1 3.73Å; L860-F884 HydrophobicContact CG-CD2 4.37Å; L860-F884 HydrophobicContact CG-CE1 3.58Å; L860-F884 HydrophobicContact CG-CE2 4.24Å; L860-F884 HydrophobicContact CG-CG 4.13Å; L860-F884 HydrophobicContact CG-CZ 3.85Å
861	E	65.7	Low	60	Low	143 Å²	143	75.9 Å²	75.9	67%	0.668	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-40.5	174.6	-81.3	-167.9	159.6	0	0	112.4	G857 E858 L859 G864 Q865	G857-E861 PolarHBondContact O-N 2.94Å; G857-E861 VanDerWaalsContact O-N 3.13Å; E858-E861 PolarHBondContact O-N 3.01Å; L859-E861 VanDerWaalsContact C-N 3.34Å; L859-E861 PolarHBondContact O-N 3.4Å; E861-G864 PolarHBondContact O-N 2.9Å; E861-Q865 WeakPolarHBondContact O-CG 3.3Å; E861-Q865 PolarHBondContact O-N 3.38Å
862	Q	64	Low	59.7	Low	71 Å²	71	78.4 Å²	78.4	33%	0.332	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-39.5	177.7	-70.8	177.9	17.7	0	0	112.1	E858 L859 Q865	E858-Q862 VanDerWaalsContact O-CG 3.31Å; E858-Q862 WeakPolarHBondContact O-CG 3.47Å; E858-Q862 PolarHBondContact O-N 2.53Å; L859-Q862 PolarHBondContact O-N 2.87Å; Q862-Q865 PolarHBondContact O-N 3.35Å
863	F	59.2	Low	59.6	Low	17 Å²	17	79.2 Å²	79.2	8%	0.075	43%	0.426	C	S	.	.	H	α-helix	trans	-69.8	-35.7	175.1	-76.3	-64.4	0	0	0	112.5	L859 L860 Q865 L866 F880 F884 F932	L859-F863 HydrophobicContact CB-CD2 4.29Å; L859-F863 HydrophobicContact CB-CE2 4.2Å; L859-F863 HydrophobicContact CD2-CE2 4.2Å; L859-F863 WeakPolarHBondContact O-CD2 3.16Å; L859-F863 PolarHBondContact O-N 3.03Å; L860-F863 PolarHBondContact O-N 3.19Å; F863-Q865 PolarHBondContact O-N 3.05Å; F863-L866 HydrophobicContact CD1-CD1 4.1Å; F863-L866 HydrophobicContact CE1-CD1 4.49Å; F863-L866 PolarHBondContact O-N 3.47Å; F863-F880 HydrophobicContact CD1-CD1 4.17Å; F863-F880 HydrophobicContact CD1-CE1 4.24Å; F863-F880 HydrophobicContact CD1-CG 4.46Å; F863-F880 HydrophobicContact CD2-CD1 4Å; F863-F880 HydrophobicContact CD2-CE1 4.17Å; F863-F880 AromaticContact CE1-CD1 3.87Å; F863-F880 HydrophobicContact CE1-CD1 3.87Å; F863-F880 HydrophobicContact CE1-CD2 4.45Å; F863-F880 AromaticContact CE1-CE1 3.48Å; F863-F880 HydrophobicContact CE1-CE1 3.48Å; F863-F880 VanDerWaalsContact CE1-CE1 3.48Å; F863-F880 HydrophobicContact CE1-CE2 4.11Å; F863-F880 HydrophobicContact CE1-CG 4.35Å; F863-F880 AromaticContact CE1-CZ 3.62Å; F863-F880 HydrophobicContact CE1-CZ 3.62Å; F863-F880 AromaticContact CE2-CD1 3.72Å; F863-F880 HydrophobicContact CE2-CD1 3.72Å; F863-F880 AromaticContact CE2-CE1 3.42Å; F863-F880 HydrophobicContact CE2-CE1 3.42Å; F863-F880 VanDerWaalsContact CE2-CE1 3.42Å; F863-F880 HydrophobicContact CE2-CZ 4.32Å; F863-F880 HydrophobicContact CG-CD1 4.27Å; F863-F880 AromaticContact CZ-CD1 3.68Å; F863-F880 HydrophobicContact CZ-CD1 3.68Å; F863-F880 AromaticContact CZ-CE1 3.04Å; F863-F880 HydrophobicContact CZ-CE1 3.04Å; F863-F880 HydrophobicContact CZ-CE2 4.41Å; F863-F880 AromaticContact CZ-CZ 3.5Å; F863-F880 HydrophobicContact CZ-CZ 3.5Å; F863-F880 VanDerWaalsContact CZ-CZ 3.5Å; F863-F884 HydrophobicContact CD2-CE2 4.48Å; F863-F932 HydrophobicContact CE1-CE2 4.06Å; F863-F932 HydrophobicContact CZ-CE2 4.23Å
864	G	59.7	Low	59.3	Low	38 Å²	38	79.9 Å²	79.9	39%	0.392	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-27.2	173.8	0	0	0	0	0	113.6	L860 E861 H867	L860-G864 PolarHBondContact O-N 3.39Å; E861-G864 PolarHBondContact O-N 2.9Å; G864-H867 VanDerWaalsContact O-CB 3.26Å; G864-H867 WeakPolarHBondContact O-CB 3.28Å
865	Q	62.6	Low	58.9	Low	154 Å²	154	80.5 Å²	80.5	72%	0.72	43%	0.425	S	S	*	.	H	α-helix	trans	-78.1	-22.8	176.7	-69.5	176.1	22.2	0	0	113.8	E861 Q862 F863 H867	E861-Q865 WeakPolarHBondContact O-CG 3.3Å; E861-Q865 PolarHBondContact O-N 3.38Å; Q862-Q865 PolarHBondContact O-N 3.35Å; F863-Q865 PolarHBondContact O-N 3.05Å; Q865-H867 PolarHBondContact O-N 3.49Å
866	L	56.3	Low	58.6	Low	69 Å²	69	83.4 Å²	83.4	36%	0.361	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.4	175.8	-76.5	157.6	0	0	0	112.9	F863 S868 F932	F863-L866 HydrophobicContact CD1-CD1 4.1Å; F863-L866 HydrophobicContact CE1-CD1 4.49Å; F863-L866 PolarHBondContact O-N 3.47Å; L866-S868 PolarHBondContact O-N 3.07Å; L866-F932 HydrophobicContact CD1-CE2 4.17Å; L866-F932 HydrophobicContact CD1-CZ 4.23Å
867	H	52.8	Low	58.6	Low	97 Å²	97	86.3 Å²	86.3	45%	0.449	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	21.6	-168.8	-158.4	56.7	0	0	0	116.1	G864 Q865 Y877	G864-H867 VanDerWaalsContact O-CB 3.26Å; G864-H867 WeakPolarHBondContact O-CB 3.28Å; Q865-H867 PolarHBondContact O-N 3.49Å; H867-Y877 AromaticContact CE1-CD1 3.78Å; H867-Y877 AromaticContact ND1-CD1 3.9Å; H867-Y877 AromaticContact ND1-CD2 3.99Å; H867-Y877 AromaticContact ND1-CG 3.73Å
868	S	49.8	Very low	58.5	Low	97 Å²	97	89 Å²	89	68%	0.678	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	13.2	-168.3	90.8	0	0	0	0	117.9	L866	L866-S868 PolarHBondContact O-N 3.07Å
869	Q	53.7	Low	58.3	Low	165 Å²	165	90 Å²	90	77%	0.771	45%	0.454	S	S	*	.	S	Bend	trans	-123.1	-36.1	-171.2	-60.7	-163.5	7.9	0	0	117.1
870	T	57.7	Low	58.2	Low	83 Å²	83	90.6 Å²	90.6	51%	0.509	46%	0.456	S	S	.	.			trans	-150.4	161	176.9	66.4	0	0	0	0	115	D872 D873 M874	T870-D872 PolarHBondContact O-N 3.02Å; T870-D873 PolarHBondContact N-OD2 3.3Å; T870-D873 WeakPolarHBondContact O-CB 3.27Å; T870-D873 PolarHBondContact O-N 3.39Å; T870-D873 VanDerWaalsContact O-N 3.11Å; T870-D873 PolarHBondContact OG1-N 3.07Å; T870-D873 PolarHBondContact OG1-OD2 3.04Å; T870-M874 PolarHBondContact O-N 2.71Å
871	D	55.1	Low	58.2	Low	149 Å²	149	89 Å²	89	80%	0.797	45%	0.449	S	S	*	.	H	α-helix	trans	-62.5	-27.9	174.9	-80.6	-25.5	0	0	0	112.9	D873 M874 H875	D871-D873 VanDerWaalsContact C-N 3.32Å; D871-M874 WeakPolarHBondContact O-CB 3.42Å; D871-M874 PolarHBondContact O-N 3.41Å; D871-H875 PolarHBondContact O-N 3.36Å
872	D	55.4	Low	58.1	Low	114 Å²	114	88 Å²	88	61%	0.61	45%	0.446	S	S	*	.	H	α-helix	trans	-68.8	-31.1	174	-82.9	-18.3	0	0	0	111.8	T870 M874 H875 R876	T870-D872 PolarHBondContact O-N 3.02Å; D872-M874 VanDerWaalsContact C-N 3.27Å; D872-M874 PolarHBondContact O-N 2.9Å; D872-H875 PolarHBondContact O-N 3.48Å; D872-R876 WeakPolarHBondContact O-CG 3.42Å; D872-R876 PolarHBondContact O-N 2.93Å
873	D	55.5	Low	57.8	Low	39 Å²	39	86.6 Å²	86.6	21%	0.209	44%	0.442	C	S	.	.	H	α-helix	trans	-68.6	-29.9	175	-57.8	-42.3	0	0	0	111.3	T870 D871 Y877	T870-D873 PolarHBondContact N-OD2 3.3Å; T870-D873 WeakPolarHBondContact O-CB 3.27Å; T870-D873 PolarHBondContact O-N 3.39Å; T870-D873 VanDerWaalsContact O-N 3.11Å; T870-D873 PolarHBondContact OG1-N 3.07Å; T870-D873 PolarHBondContact OG1-OD2 3.04Å; D871-D873 VanDerWaalsContact C-N 3.32Å; D873-Y877 VanDerWaalsContact O-CB 3.26Å; D873-Y877 WeakPolarHBondContact O-CB 3.27Å; D873-Y877 PolarHBondContact O-N 3.36Å
874	M	55.2	Low	57.9	Low	80 Å²	80	86.5 Å²	86.5	39%	0.394	44%	0.442	S	S	.	.	H	α-helix	trans	-68	-44.8	177.2	-126.1	-68.9	-71.2	0	0	111.6	T870 D871 D872 R876 Y877 E878	T870-M874 PolarHBondContact O-N 2.71Å; D871-M874 WeakPolarHBondContact O-CB 3.42Å; D871-M874 PolarHBondContact O-N 3.41Å; D872-M874 VanDerWaalsContact C-N 3.27Å; D872-M874 PolarHBondContact O-N 2.9Å; M874-R876 VanDerWaalsContact C-N 3.33Å; M874-R876 PolarHBondContact O-N 3.39Å; M874-Y877 PolarHBondContact O-N 2.83Å; M874-E878 HydrophobicContact CE-CG 4.37Å; M874-E878 WeakPolarHBondContact CE-OE1 3.4Å; M874-E878 WeakPolarHBondContact O-CG 3.49Å; M874-E878 PolarHBondContact O-N 3.5Å; M874-E878 HydrophobicContact SD-CG 4.48Å
875	H	58.6	Low	58.1	Low	107 Å²	107	88.7 Å²	88.7	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-67.9	-34.3	177.3	-168.1	52.9	0	0	0	112.4	D871 D872 E878 Q879	D871-H875 PolarHBondContact O-N 3.36Å; D872-H875 PolarHBondContact O-N 3.48Å; H875-E878 IonicContact ND1-OE2 3.98Å; H875-Q879 PolarHBondContact NE2-NE2 3.23Å; H875-Q879 VanDerWaalsContact NE2-NE2 3.15Å; H875-Q879 WeakPolarHBondContact O-CG 3.36Å; H875-Q879 PolarHBondContact O-N 3.06Å
876	R	55.3	Low	57.8	Low	118 Å²	118	90.2 Å²	90.2	45%	0.445	44%	0.444	S	S	.	.	H	α-helix	trans	-69.3	-42.1	174.2	-69.6	176	-171.8	-173.2	5.4	111.5	D872 M874 E878 Q879 F880 Y929	D872-R876 WeakPolarHBondContact O-CG 3.42Å; D872-R876 PolarHBondContact O-N 2.93Å; M874-R876 VanDerWaalsContact C-N 3.33Å; M874-R876 PolarHBondContact O-N 3.39Å; R876-E878 PolarHBondContact O-N 3.48Å; R876-Q879 PolarHBondContact O-N 2.99Å; R876-F880 WeakPolarHBondContact O-CD2 3.39Å; R876-F880 PolarHBondContact O-N 3.02Å; R876-Y929 WeakPolarHBondContact CD-OH 3.42Å; R876-Y929 PolarHBondContact NH1-OH 3.37Å
877	Y	61	Low	58	Low	71 Å²	71	87.2 Å²	87.2	28%	0.278	43%	0.428	S	S	.	.	H	α-helix	trans	-59.3	-45.2	173.8	-176.7	-93.2	0	0	0	111.4	H867 D873 M874 Q879 F880 T881	H867-Y877 AromaticContact CE1-CD1 3.78Å; H867-Y877 AromaticContact ND1-CD1 3.9Å; H867-Y877 AromaticContact ND1-CD2 3.99Å; H867-Y877 AromaticContact ND1-CG 3.73Å; D873-Y877 VanDerWaalsContact O-CB 3.26Å; D873-Y877 WeakPolarHBondContact O-CB 3.27Å; D873-Y877 PolarHBondContact O-N 3.36Å; M874-Y877 PolarHBondContact O-N 2.83Å; Y877-Q879 PolarHBondContact O-N 2.85Å; Y877-F880 CarbonylContact O-C 3.53Å; Y877-F880 WeakPolarHBondContact O-CA 3.23Å; Y877-F880 WeakPolarHBondContact O-CB 3.19Å; Y877-F880 PolarHBondContact O-N 2.88Å; Y877-T881 HydrophobicContact CE1-CG2 4.17Å; Y877-T881 PolarHBondContact O-N 3.01Å; Y877-T881 PolarHBondContact O-OG1 3.4Å
878	E	61.8	Low	58.3	Low	92 Å²	92	88.2 Å²	88.2	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-57.1	-46.5	175.8	-77	179.4	164.1	0	0	112.3	M874 H875 R876 F880 T881 M882	M874-E878 HydrophobicContact CE-CG 4.37Å; M874-E878 WeakPolarHBondContact CE-OE1 3.4Å; M874-E878 WeakPolarHBondContact O-CG 3.49Å; M874-E878 PolarHBondContact O-N 3.5Å; M874-E878 HydrophobicContact SD-CG 4.48Å; H875-E878 IonicContact ND1-OE2 3.98Å; R876-E878 PolarHBondContact O-N 3.48Å; E878-F880 VanDerWaalsContact C-N 3.29Å; E878-F880 PolarHBondContact O-N 2.97Å; E878-T881 WeakPolarHBondContact CA-OG1 3.32Å; E878-T881 PolarHBondContact O-N 3.03Å; E878-T881 PolarHBondContact O-OG1 3.41Å; E878-M882 WeakPolarHBondContact O-CG 3.32Å; E878-M882 PolarHBondContact O-N 3.47Å
879	Q	61	Low	58.8	Low	105 Å²	105	88 Å²	88	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-61	-37.9	175	-70.2	-180	10.6	0	0	112.1	H875 R876 Y877 M882 V883	H875-Q879 PolarHBondContact NE2-NE2 3.23Å; H875-Q879 VanDerWaalsContact NE2-NE2 3.15Å; H875-Q879 WeakPolarHBondContact O-CG 3.36Å; H875-Q879 PolarHBondContact O-N 3.06Å; R876-Q879 PolarHBondContact O-N 2.99Å; Y877-Q879 PolarHBondContact O-N 2.85Å; Q879-M882 PolarHBondContact O-N 3.36Å; Q879-V883 WeakPolarHBondContact O-CG2 3.46Å; Q879-V883 PolarHBondContact O-N 2.94Å
880	F	59.8	Low	59.1	Low	20 Å²	20	81.4 Å²	81.4	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-66.4	-46.8	176.2	-99.7	-91.8	0	0	0	112.5	F863 R876 Y877 E878 M882 V883 F884 L925 Y929	F863-F880 HydrophobicContact CD1-CD1 4.17Å; F863-F880 HydrophobicContact CD1-CE1 4.24Å; F863-F880 HydrophobicContact CD1-CG 4.46Å; F863-F880 HydrophobicContact CD2-CD1 4Å; F863-F880 HydrophobicContact CD2-CE1 4.17Å; F863-F880 AromaticContact CE1-CD1 3.87Å; F863-F880 HydrophobicContact CE1-CD1 3.87Å; F863-F880 HydrophobicContact CE1-CD2 4.45Å; F863-F880 AromaticContact CE1-CE1 3.48Å; F863-F880 HydrophobicContact CE1-CE1 3.48Å; F863-F880 VanDerWaalsContact CE1-CE1 3.48Å; F863-F880 HydrophobicContact CE1-CE2 4.11Å; F863-F880 HydrophobicContact CE1-CG 4.35Å; F863-F880 AromaticContact CE1-CZ 3.62Å; F863-F880 HydrophobicContact CE1-CZ 3.62Å; F863-F880 AromaticContact CE2-CD1 3.72Å; F863-F880 HydrophobicContact CE2-CD1 3.72Å; F863-F880 AromaticContact CE2-CE1 3.42Å; F863-F880 HydrophobicContact CE2-CE1 3.42Å; F863-F880 VanDerWaalsContact CE2-CE1 3.42Å; F863-F880 HydrophobicContact CE2-CZ 4.32Å; F863-F880 HydrophobicContact CG-CD1 4.27Å; F863-F880 AromaticContact CZ-CD1 3.68Å; F863-F880 HydrophobicContact CZ-CD1 3.68Å; F863-F880 AromaticContact CZ-CE1 3.04Å; F863-F880 HydrophobicContact CZ-CE1 3.04Å; F863-F880 HydrophobicContact CZ-CE2 4.41Å; F863-F880 AromaticContact CZ-CZ 3.5Å; F863-F880 HydrophobicContact CZ-CZ 3.5Å; F863-F880 VanDerWaalsContact CZ-CZ 3.5Å; R876-F880 WeakPolarHBondContact O-CD2 3.39Å; R876-F880 PolarHBondContact O-N 3.02Å; Y877-F880 CarbonylContact O-C 3.53Å; Y877-F880 WeakPolarHBondContact O-CA 3.23Å; Y877-F880 WeakPolarHBondContact O-CB 3.19Å; Y877-F880 PolarHBondContact O-N 2.88Å; E878-F880 VanDerWaalsContact C-N 3.29Å; E878-F880 PolarHBondContact O-N 2.97Å; F880-M882 VanDerWaalsContact C-N 3.26Å; F880-M882 PolarHBondContact O-N 3.15Å; F880-V883 PolarHBondContact O-N 3.06Å; F880-V883 VanDerWaalsContact O-N 3.12Å; F880-F884 PolarHBondContact O-N 2.98Å; F880-L925 HydrophobicContact CD1-CD2 3.44Å; F880-L925 VanDerWaalsContact CD1-CD2 3.44Å; F880-L925 HydrophobicContact CD1-CG 4.41Å; F880-L925 HydrophobicContact CE1-CB 3.8Å; F880-L925 HydrophobicContact CE1-CD1 4.45Å; F880-L925 HydrophobicContact CE1-CD2 3.2Å; F880-L925 HydrophobicContact CE1-CG 3.96Å; F880-L925 HydrophobicContact CE2-CD2 4.38Å; F880-L925 HydrophobicContact CG-CD2 4.12Å; F880-L925 HydrophobicContact CZ-CB 4.32Å; F880-L925 HydrophobicContact CZ-CD2 3.73Å; F880-Y929 HydrophobicContact CE2-CD2 4.19Å; F880-Y929 HydrophobicContact CE2-CE2 4.22Å; F880-Y929 HydrophobicContact CZ-CD2 4.39Å
881	T	62.7	Low	59.2	Low	40 Å²	40	78.1 Å²	78.1	25%	0.245	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-38.6	173.1	17.7	0	0	0	0	111.6	Y877 E878 V883 F884 D885	Y877-T881 HydrophobicContact CE1-CG2 4.17Å; Y877-T881 PolarHBondContact O-N 3.01Å; Y877-T881 PolarHBondContact O-OG1 3.4Å; E878-T881 WeakPolarHBondContact CA-OG1 3.32Å; E878-T881 PolarHBondContact O-N 3.03Å; E878-T881 PolarHBondContact O-OG1 3.41Å; T881-V883 VanDerWaalsContact C-N 3.32Å; T881-V883 PolarHBondContact O-N 3.32Å; T881-F884 PolarHBondContact O-N 3.25Å; T881-D885 WeakPolarHBondContact O-CB 3.43Å; T881-D885 PolarHBondContact O-N 3.1Å
882	M	62.8	Low	59.5	Low	123 Å²	123	76.6 Å²	76.6	61%	0.606	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-32.3	176.8	-71	-176.3	73.4	0	0	113.8	E878 Q879 F880 R886	E878-M882 WeakPolarHBondContact O-CG 3.32Å; E878-M882 PolarHBondContact O-N 3.47Å; Q879-M882 PolarHBondContact O-N 3.36Å; F880-M882 VanDerWaalsContact C-N 3.26Å; F880-M882 PolarHBondContact O-N 3.15Å; M882-R886 WeakPolarHBondContact O-CG 3.44Å; M882-R886 PolarHBondContact O-N 2.91Å
883	V	57.6	Low	59.6	Low	41 Å²	41	74.7 Å²	74.7	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-75.8	-40.3	173.9	-178	0	0	0	0	110.2	Q879 F880 T881 R886 V887 A921 L925	Q879-V883 WeakPolarHBondContact O-CG2 3.46Å; Q879-V883 PolarHBondContact O-N 2.94Å; F880-V883 PolarHBondContact O-N 3.06Å; F880-V883 VanDerWaalsContact O-N 3.12Å; T881-V883 VanDerWaalsContact C-N 3.32Å; T881-V883 PolarHBondContact O-N 3.32Å; V883-R886 PolarHBondContact O-N 3.04Å; V883-V887 WeakPolarHBondContact O-CG2 3.45Å; V883-V887 PolarHBondContact O-N 3.42Å; V883-A921 HydrophobicContact CG1-CB 4.09Å; V883-L925 HydrophobicContact CB-CD1 4.31Å; V883-L925 HydrophobicContact CB-CD2 3.95Å; V883-L925 HydrophobicContact CG1-CD1 3.7Å; V883-L925 HydrophobicContact CG1-CD2 3.92Å; V883-L925 HydrophobicContact CG1-CG 3.96Å; V883-L925 HydrophobicContact CG2-CD2 4.21Å
884	F	62.1	Low	59.5	Low	14 Å²	14	73.4 Å²	73.4	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.3	-101.3	-79.6	0	0	0	112.9	C856 L859 L860 F863 F880 T881 R886 V887 E888 L925	C856-F884 HydrophobicContact CB-CE1 3.8Å; C856-F884 WeakPolarHBondContact O-CE1 3.37Å; L859-F884 HydrophobicContact CB-CE2 4.41Å; L859-F884 HydrophobicContact CB-CZ 3.86Å; L860-F884 HydrophobicContact CD1-CD1 3.7Å; L860-F884 HydrophobicContact CD1-CE1 3.72Å; L860-F884 HydrophobicContact CD1-CG 4.43Å; L860-F884 HydrophobicContact CD1-CZ 4.48Å; L860-F884 HydrophobicContact CD2-CB 4.36Å; L860-F884 HydrophobicContact CD2-CD1 3.94Å; L860-F884 HydrophobicContact CD2-CD2 4.05Å; L860-F884 HydrophobicContact CD2-CE1 4.23Å; L860-F884 HydrophobicContact CD2-CE2 4.33Å; L860-F884 HydrophobicContact CD2-CG 3.84Å; L860-F884 HydrophobicContact CD2-CZ 4.42Å; L860-F884 HydrophobicContact CG-CD1 3.73Å; L860-F884 HydrophobicContact CG-CD2 4.37Å; L860-F884 HydrophobicContact CG-CE1 3.58Å; L860-F884 HydrophobicContact CG-CE2 4.24Å; L860-F884 HydrophobicContact CG-CG 4.13Å; L860-F884 HydrophobicContact CG-CZ 3.85Å; F863-F884 HydrophobicContact CD2-CE2 4.48Å; F880-F884 PolarHBondContact O-N 2.98Å; T881-F884 PolarHBondContact O-N 3.25Å; F884-R886 PolarHBondContact O-N 2.97Å; F884-V887 CarbonylContact O-C 3.4Å; F884-V887 WeakPolarHBondContact O-CA 3.28Å; F884-V887 WeakPolarHBondContact O-CB 3.48Å; F884-V887 PolarHBondContact O-N 3.06Å; F884-E888 WeakPolarHBondContact O-CB 3.46Å; F884-E888 PolarHBondContact O-N 3.16Å; F884-L925 HydrophobicContact CD2-CD1 4.35Å; F884-L925 HydrophobicContact CE2-CD1 4.17Å
885	D	63.5	Low	59.9	Low	85 Å²	85	73 Å²	73	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-37.4	175.2	-71.5	-7.1	0	0	0	111.1	T881 E888 I889	T881-D885 WeakPolarHBondContact O-CB 3.43Å; T881-D885 PolarHBondContact O-N 3.1Å; D885-E888 PolarHBondContact O-N 2.89Å; D885-I889 WeakPolarHBondContact O-CD1 3.49Å; D885-I889 WeakPolarHBondContact O-CG1 3.27Å; D885-I889 PolarHBondContact O-N 3.05Å
886	R	57.1	Low	59.9	Low	186 Å²	186	74.4 Å²	74.4	70%	0.702	36%	0.355	S	S	*	.	H	α-helix	trans	-71.4	-33.8	176	-75.7	-176.8	173.2	-167	-0.5	113.1	M882 V883 F884 S890	M882-R886 WeakPolarHBondContact O-CG 3.44Å; M882-R886 PolarHBondContact O-N 2.91Å; V883-R886 PolarHBondContact O-N 3.04Å; F884-R886 PolarHBondContact O-N 2.97Å; R886-S890 PolarHBondContact O-N 3.11Å; R886-S890 PolarHBondContact O-OG 3.33Å
887	V	59.2	Low	60	Low	5 Å²	5	72.1 Å²	72.1	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-42.4	173.6	167.6	0	0	0	0	109.8	V883 F884 S890 F891 V918 A921	V883-V887 WeakPolarHBondContact O-CG2 3.45Å; V883-V887 PolarHBondContact O-N 3.42Å; F884-V887 CarbonylContact O-C 3.4Å; F884-V887 WeakPolarHBondContact O-CA 3.28Å; F884-V887 WeakPolarHBondContact O-CB 3.48Å; F884-V887 PolarHBondContact O-N 3.06Å; V887-S890 WeakPolarHBondContact O-CA 3.24Å; V887-S890 WeakPolarHBondContact O-CB 3.49Å; V887-S890 PolarHBondContact O-N 3.24Å; V887-S890 VanDerWaalsContact O-N 3.08Å; V887-F891 HydrophobicContact CG1-CD2 3.67Å; V887-F891 HydrophobicContact CG1-CE2 3.33Å; V887-F891 WeakPolarHBondContact O-CD2 3.34Å; V887-F891 PolarHBondContact O-N 2.86Å; V887-V918 HydrophobicContact CG1-CG1 3.84Å; V887-A921 HydrophobicContact CG2-CB 3.96Å
888	E	60.6	Low	59.5	Low	119 Å²	119	74.5 Å²	74.5	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-63.7	-43.9	177.2	-162.7	173.2	-162.1	0	0	111.9	F884 D885 S890 F891 E892	F884-E888 WeakPolarHBondContact O-CB 3.46Å; F884-E888 PolarHBondContact O-N 3.16Å; D885-E888 PolarHBondContact O-N 2.89Å; E888-S890 PolarHBondContact O-N 3.2Å; E888-F891 CarbonylContact O-C 3.58Å; E888-F891 WeakPolarHBondContact O-CA 3.35Å; E888-F891 WeakPolarHBondContact O-CB 3.33Å; E888-F891 PolarHBondContact O-N 3.49Å; E888-E892 PolarHBondContact O-N 2.99Å
889	I	60	Low	59.2	Low	92 Å²	92	77.9 Å²	77.9	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-57.6	-37.2	171.6	-68.3	161.5	0	0	0	111.3	D885 F891 E892 I893	D885-I889 WeakPolarHBondContact O-CD1 3.49Å; D885-I889 WeakPolarHBondContact O-CG1 3.27Å; D885-I889 PolarHBondContact O-N 3.05Å; I889-F891 VanDerWaalsContact C-N 3.33Å; I889-E892 PolarHBondContact O-N 3.18Å; I889-I893 HydrophobicContact CG2-CD1 4.17Å; I889-I893 WeakPolarHBondContact O-CD1 3.33Å; I889-I893 VanDerWaalsContact O-CG1 3.24Å; I889-I893 WeakPolarHBondContact O-CG1 3.33Å; I889-I893 PolarHBondContact O-N 3.03Å; I889-I893 VanDerWaalsContact O-N 3.13Å
890	S	58.6	Low	59	Low	26 Å²	26	74.1 Å²	74.1	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-70.9	-31	177.5	-55.9	0	0	0	0	111.7	R886 V887 E888 L894 I914 V918	R886-S890 PolarHBondContact O-N 3.11Å; R886-S890 PolarHBondContact O-OG 3.33Å; V887-S890 WeakPolarHBondContact O-CA 3.24Å; V887-S890 WeakPolarHBondContact O-CB 3.49Å; V887-S890 PolarHBondContact O-N 3.24Å; V887-S890 VanDerWaalsContact O-N 3.08Å; E888-S890 PolarHBondContact O-N 3.2Å; S890-L894 WeakPolarHBondContact O-CG 3.21Å; S890-L894 PolarHBondContact O-N 3.28Å; S890-I914 WeakPolarHBondContact O-CG2 3.44Å; S890-V918 VanDerWaalsContact CB-CG2 3.44Å
891	F	59.6	Low	58.7	Low	15 Å²	15	80 Å²	80	7%	0.066	39%	0.387	C	S	.	.	H	α-helix	trans	-74.2	-38.3	172.2	-78	-67.3	0	0	0	113.2	R849 L852 D853 V887 E888 I889 I893 L894 D895 V918	R849-F891 HydrophobicContact CG-CD1 4.37Å; R849-F891 HydrophobicContact CG-CE1 4.22Å; R849-F891 PolarHBondContact NH2-O 3.21Å; L852-F891 HydrophobicContact CB-CE1 4.23Å; L852-F891 HydrophobicContact CB-CZ 3.77Å; L852-F891 HydrophobicContact CD1-CZ 4.5Å; D853-F891 WeakPolarHBondContact OD1-CD1 3.37Å; D853-F891 WeakPolarHBondContact OD1-CE1 3.22Å; V887-F891 HydrophobicContact CG1-CD2 3.67Å; V887-F891 HydrophobicContact CG1-CE2 3.33Å; V887-F891 WeakPolarHBondContact O-CD2 3.34Å; V887-F891 PolarHBondContact O-N 2.86Å; E888-F891 CarbonylContact O-C 3.58Å; E888-F891 WeakPolarHBondContact O-CA 3.35Å; E888-F891 WeakPolarHBondContact O-CB 3.33Å; E888-F891 PolarHBondContact O-N 3.49Å; I889-F891 VanDerWaalsContact C-N 3.33Å; F891-I893 VanDerWaalsContact C-N 3.29Å; F891-I893 PolarHBondContact O-N 3.31Å; F891-L894 HydrophobicContact CD1-CD1 4.17Å; F891-L894 CarbonylContact O-C 3.51Å; F891-L894 WeakPolarHBondContact O-CA 3.46Å; F891-L894 WeakPolarHBondContact O-CB 3.31Å; F891-L894 PolarHBondContact O-N 2.99Å; F891-D895 PolarHBondContact O-N 3.06Å; F891-V918 HydrophobicContact CE2-CG1 3.82Å; F891-V918 HydrophobicContact CZ-CG1 3.8Å
892	E	63.2	Low	58.1	Low	117 Å²	117	84.1 Å²	84.1	55%	0.547	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-39.6	173.5	-73.7	-174.4	161.2	0	0	111.3	E888 I889 L894 D895	E888-E892 PolarHBondContact O-N 2.99Å; I889-E892 PolarHBondContact O-N 3.18Å; E892-L894 VanDerWaalsContact C-N 3.26Å; E892-L894 PolarHBondContact O-N 3.06Å; E892-D895 WeakPolarHBondContact O-CB 3.38Å; E892-D895 PolarHBondContact O-N 3.3Å
893	I	56.8	Low	57.6	Low	73 Å²	73	85.3 Å²	85.3	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-34.9	174.5	-64.5	163.9	0	0	0	110.4	I889 F891 D896 Y897 I914	I889-I893 HydrophobicContact CG2-CD1 4.17Å; I889-I893 WeakPolarHBondContact O-CD1 3.33Å; I889-I893 VanDerWaalsContact O-CG1 3.24Å; I889-I893 WeakPolarHBondContact O-CG1 3.33Å; I889-I893 PolarHBondContact O-N 3.03Å; I889-I893 VanDerWaalsContact O-N 3.13Å; F891-I893 VanDerWaalsContact C-N 3.29Å; F891-I893 PolarHBondContact O-N 3.31Å; I893-D896 PolarHBondContact O-N 2.95Å; I893-Y897 HydrophobicContact CG2-CE2 3.98Å; I893-Y897 WeakPolarHBondContact O-CD2 3.29Å; I893-Y897 WeakPolarHBondContact O-CE2 3.45Å; I893-I914 HydrophobicContact CB-CD1 4.48Å; I893-I914 HydrophobicContact CG2-CD1 3.55Å
894	L	53.8	Low	57.6	Low	12 Å²	12	86.9 Å²	86.9	6%	0.063	42%	0.423	C	S	.	.	H	α-helix	trans	-71.6	-25.7	176.1	-71.4	167.4	0	0	0	113.2	S890 F891 E892 D896 Y897 I914 L915	S890-L894 WeakPolarHBondContact O-CG 3.21Å; S890-L894 PolarHBondContact O-N 3.28Å; F891-L894 HydrophobicContact CD1-CD1 4.17Å; F891-L894 CarbonylContact O-C 3.51Å; F891-L894 WeakPolarHBondContact O-CA 3.46Å; F891-L894 WeakPolarHBondContact O-CB 3.31Å; F891-L894 PolarHBondContact O-N 2.99Å; E892-L894 VanDerWaalsContact C-N 3.26Å; E892-L894 PolarHBondContact O-N 3.06Å; L894-D896 VanDerWaalsContact C-N 3.33Å; L894-Y897 PolarHBondContact O-N 3.49Å; L894-Y897 VanDerWaalsContact O-N 3.12Å; L894-I914 HydrophobicContact CD1-CG2 4.11Å; L894-I914 HydrophobicContact CD2-CB 4.21Å; L894-I914 HydrophobicContact CD2-CD1 4.31Å; L894-I914 HydrophobicContact CD2-CG2 4.25Å; L894-I914 HydrophobicContact CG-CB 4.43Å; L894-I914 HydrophobicContact CG-CG2 3.91Å; L894-L915 HydrophobicContact CD1-CD2 3.64Å; L894-L915 HydrophobicContact CD1-CG 4.08Å
895	D	61.9	Low	57.2	Low	73 Å²	73	88.8 Å²	88.8	39%	0.39	43%	0.431	S	S	.	.	H	α-helix	trans	-63.4	-37.6	173.2	-81.4	-45.6	0	0	0	112.4	R849 F891 E892 Y897 E898	R849-D895 IonicContact CZ-OD1 3.91Å; R849-D895 IonicContact NH1-OD1 2.61Å; R849-D895 PolarHBondContact NH1-OD1 2.94Å; R849-D895 IonicContact NH2-OD1 3.74Å; R849-D895 PolarHBondContact NH2-OD1 3.29Å; R849-D895 IonicContact NH2-OD2 3.76Å; R849-D895 PolarHBondContact NH2-OD2 2.9Å; F891-D895 PolarHBondContact O-N 3.06Å; E892-D895 WeakPolarHBondContact O-CB 3.38Å; E892-D895 PolarHBondContact O-N 3.3Å; D895-Y897 PolarHBondContact O-N 3.27Å; D895-Y897 VanDerWaalsContact O-N 3.1Å; D895-E898 PolarHBondContact O-N 3.2Å; D895-E898 VanDerWaalsContact O-N 3.14Å
896	D	59.2	Low	56.7	Low	136 Å²	136	87.9 Å²	87.9	73%	0.727	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.3	174.4	-77.1	-18.9	0	0	0	113	I893 L894	I893-D896 PolarHBondContact O-N 2.95Å; L894-D896 VanDerWaalsContact C-N 3.33Å
897	Y	56.8	Low	56.7	Low	70 Å²	70	83.9 Å²	83.9	28%	0.275	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.3	178.1	-64.5	-83	0	0	0	113.9	I893 L894 D895 E899 I900 R907 I914	I893-Y897 HydrophobicContact CG2-CE2 3.98Å; I893-Y897 WeakPolarHBondContact O-CD2 3.29Å; I893-Y897 WeakPolarHBondContact O-CE2 3.45Å; L894-Y897 PolarHBondContact O-N 3.49Å; L894-Y897 VanDerWaalsContact O-N 3.12Å; D895-Y897 PolarHBondContact O-N 3.27Å; D895-Y897 VanDerWaalsContact O-N 3.1Å; Y897-E899 PolarHBondContact O-N 2.89Å; Y897-I900 WeakPolarHBondContact O-CD1 3.27Å; Y897-I900 WeakPolarHBondContact O-CG1 3.13Å; Y897-I900 PolarHBondContact O-N 2.65Å; Y897-R907 HydrophobicContact CD1-CB 4.01Å; Y897-R907 HydrophobicContact CD1-CG 4.04Å; Y897-R907 HydrophobicContact CE1-CB 4.2Å; Y897-R907 HydrophobicContact CE1-CG 3.92Å; Y897-I914 HydrophobicContact CE2-CD1 4.4Å
898	E	51.6	Low	56.6	Low	121 Å²	121	84.2 Å²	84.2	57%	0.565	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.5	179	-85.1	-157.1	133.1	0	0	114.2	K846 R849 D895	K846-E898 PolarHBondContact NZ-O 2.9Å; R849-E898 IonicContact NH1-OE1 3.74Å; D895-E898 PolarHBondContact O-N 3.2Å; D895-E898 VanDerWaalsContact O-N 3.14Å
899	E	54.9	Low	56.3	Low	162 Å²	162	81.4 Å²	81.4	76%	0.757	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	43.3	176.2	-62.4	-167.3	165.7	0	0	113.8	Y897 Q901	Y897-E899 PolarHBondContact O-N 2.89Å; E899-Q901 PolarHBondContact O-N 3.39Å
900	I	56.6	Low	56.2	Low	27 Å²	27	78.4 Å²	78.4	14%	0.138	40%	0.401	C	S	.	.			trans	-61.6	108.1	168.1	-68.8	150.6	0	0	0	109.2	V842 Y897 R907 V908	V842-I900 HydrophobicContact CG2-CG2 3.86Å; Y897-I900 WeakPolarHBondContact O-CD1 3.27Å; Y897-I900 WeakPolarHBondContact O-CG1 3.13Å; Y897-I900 PolarHBondContact O-N 2.65Å; I900-R907 HydrophobicContact CG1-CB 4.29Å; I900-V908 HydrophobicContact CG2-CG2 3.68Å
901	Q	54.6	Low	56.3	Low	143 Å²	143	77.3 Å²	77.3	67%	0.668	39%	0.394	S	S	*	.			trans	-76.4	148.5	169.6	-64.5	-151	-0	0	0	110.5	E899 N903 D904	E899-Q901 PolarHBondContact O-N 3.39Å; Q901-N903 PolarHBondContact O-N 2.91Å; Q901-D904 PolarHBondContact O-N 3.3Å
902	L	49.6	Very low	56.2	Low	126 Å²	126	78.2 Å²	78.2	66%	0.66	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-15.5	-175.5	-79.5	155.2	0	0	0	116.1	H839	H839-L902 HydrophobicContact CB-CD2 3.43Å; H839-L902 VanDerWaalsContact CB-CD2 3.43Å
903	N	52.7	Low	55.9	Low	148 Å²	148	73.8 Å²	73.8	79%	0.791	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-8.1	-173.9	-61.3	-16.1	0	0	0	113.8	Q901 F905	Q901-N903 PolarHBondContact O-N 2.91Å; N903-F905 PolarHBondContact O-N 3.18Å
904	D	56.7	Low	56	Low	74 Å²	74	71.9 Å²	71.9	40%	0.396	38%	0.376	S	S	.	.			trans	-100.9	71.7	-167.4	-137.9	-11.3	0	0	0	112.3	Q901 A906 R907 V908	Q901-D904 PolarHBondContact O-N 3.3Å; D904-A906 VanDerWaalsContact C-N 3.29Å; D904-A906 PolarHBondContact O-N 3.5Å; D904-R907 HydrophobicContact CB-CB 4.36Å; D904-R907 HydrophobicContact CB-CG 4.25Å; D904-R907 WeakPolarHBondContact O-CB 3.31Å; D904-R907 PolarHBondContact O-N 2.95Å; D904-R907 WeakPolarHBondContact OD2-CD 3.24Å; D904-R907 IonicContact OD2-NE 2.77Å; D904-V908 PolarHBondContact O-N 3.5Å
905	F	54.4	Low	56.2	Low	55 Å²	55	71.7 Å²	71.7	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-36.8	-172.9	-168.4	-88.5	0	0	0	114.1	V828 L831 S832 N903 R907 V908 E909	V828-F905 HydrophobicContact CG1-CE1 4.32Å; L831-F905 HydrophobicContact CB-CE1 4.09Å; L831-F905 HydrophobicContact CB-CE2 3.3Å; L831-F905 HydrophobicContact CB-CZ 3Å; L831-F905 HydrophobicContact CD1-CZ 4.45Å; L831-F905 HydrophobicContact CG-CZ 4.32Å; L831-F905 WeakPolarHBondContact O-CE2 3.37Å; S832-F905 VanDerWaalsContact CA-CZ 3.48Å; N903-F905 PolarHBondContact O-N 3.18Å; F905-R907 VanDerWaalsContact C-N 3.27Å; F905-R907 PolarHBondContact O-N 2.84Å; F905-V908 PolarHBondContact O-N 2.88Å; F905-E909 PolarHBondContact O-N 3.44Å; F905-E909 VanDerWaalsContact O-N 3.09Å
906	A	53.6	Low	55.9	Low	66 Å²	66	71.3 Å²	71.3	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-66.3	-28.1	176.8	0	0	0	0	0	112.8	D904 G910	D904-A906 VanDerWaalsContact C-N 3.29Å; D904-A906 PolarHBondContact O-N 3.5Å; A906-G910 PolarHBondContact O-N 3.11Å
907	R	57.3	Low	55.7	Low	101 Å²	101	68.3 Å²	68.3	38%	0.381	36%	0.361	S	S	.	.	H	α-helix	trans	-75	-34.8	175.6	-70.2	-171.6	149.1	-171.9	-11.9	112.1	Y897 I900 D904 F905 S911	Y897-R907 HydrophobicContact CD1-CB 4.01Å; Y897-R907 HydrophobicContact CD1-CG 4.04Å; Y897-R907 HydrophobicContact CE1-CB 4.2Å; Y897-R907 HydrophobicContact CE1-CG 3.92Å; I900-R907 HydrophobicContact CG1-CB 4.29Å; D904-R907 HydrophobicContact CB-CB 4.36Å; D904-R907 HydrophobicContact CB-CG 4.25Å; D904-R907 WeakPolarHBondContact O-CB 3.31Å; D904-R907 PolarHBondContact O-N 2.95Å; D904-R907 WeakPolarHBondContact OD2-CD 3.24Å; D904-R907 IonicContact OD2-NE 2.77Å; F905-R907 VanDerWaalsContact C-N 3.27Å; F905-R907 PolarHBondContact O-N 2.84Å; R907-S911 WeakPolarHBondContact O-CB 3.45Å; R907-S911 PolarHBondContact O-N 2.88Å; R907-S911 PolarHBondContact O-OG 3.48Å
908	V	56.5	Low	55.7	Low	13 Å²	13	65 Å²	65	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-45.4	173	179.6	0	0	0	0	110.3	V842 I900 D904 F905 S911 V912	V842-V908 HydrophobicContact CG2-CG2 3.78Å; I900-V908 HydrophobicContact CG2-CG2 3.68Å; D904-V908 PolarHBondContact O-N 3.5Å; F905-V908 PolarHBondContact O-N 2.88Å; V908-S911 PolarHBondContact O-N 3Å; V908-V912 WeakPolarHBondContact O-CG2 3.22Å; V908-V912 PolarHBondContact O-N 3.01Å
909	E	53.8	Low	55.9	Low	59 Å²	59	61.7 Å²	61.7	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-48.1	174.2	-178.9	-171.4	164.5	0	0	112	I824 V828 F905 S911 V912 G913	I824-E909 HydrophobicContact CG2-CG 4.03Å; I824-E909 WeakPolarHBondContact CG2-OE1 3.4Å; V828-E909 HydrophobicContact CG2-CB 4.44Å; V828-E909 HydrophobicContact CG2-CG 3.47Å; V828-E909 VanDerWaalsContact CG2-CG 3.47Å; V828-E909 WeakPolarHBondContact CG2-OE1 3.4Å; V828-E909 VanDerWaalsContact CG2-OE2 3.28Å; V828-E909 WeakPolarHBondContact CG2-OE2 3.43Å; F905-E909 PolarHBondContact O-N 3.44Å; F905-E909 VanDerWaalsContact O-N 3.09Å; E909-S911 VanDerWaalsContact C-N 3.34Å; E909-S911 PolarHBondContact O-N 3.29Å; E909-V912 PolarHBondContact O-N 2.86Å; E909-G913 PolarHBondContact O-N 2.72Å
910	G	59	Low	55.9	Low	30 Å²	30	56.8 Å²	56.8	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-42.1	176	0	0	0	0	0	112.9	A906 G913 I914	A906-G910 PolarHBondContact O-N 3.11Å; G910-G913 PolarHBondContact O-N 2.82Å; G910-I914 WeakPolarHBondContact O-CD1 3.45Å; G910-I914 VanDerWaalsContact O-CG1 3.27Å; G910-I914 WeakPolarHBondContact O-CG1 3.39Å; G910-I914 PolarHBondContact O-N 3.28Å; G910-I914 VanDerWaalsContact O-N 3.1Å
911	S	59.8	Low	55.8	Low	3 Å²	3	56.7 Å²	56.7	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-40.3	179.7	-56.5	0	0	0	0	112.5	R907 V908 E909 G913 I914 L915	R907-S911 WeakPolarHBondContact O-CB 3.45Å; R907-S911 PolarHBondContact O-N 2.88Å; R907-S911 PolarHBondContact O-OG 3.48Å; V908-S911 PolarHBondContact O-N 3Å; E909-S911 VanDerWaalsContact C-N 3.34Å; E909-S911 PolarHBondContact O-N 3.29Å; S911-G913 VanDerWaalsContact C-N 3.34Å; S911-I914 PolarHBondContact O-N 3.44Å; S911-L915 WeakPolarHBondContact O-CG 3.5Å; S911-L915 PolarHBondContact O-N 2.73Å
912	V	56.8	Low	55.9	Low	34 Å²	34	50.5 Å²	50.5	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-38.9	174.2	173.6	0	0	0	0	110.9	V845 V908 E909 I914 L915 I916	V845-V912 HydrophobicContact CG2-CG2 4.26Å; V908-V912 WeakPolarHBondContact O-CG2 3.22Å; V908-V912 PolarHBondContact O-N 3.01Å; E909-V912 PolarHBondContact O-N 2.86Å; V912-I914 VanDerWaalsContact C-N 3.27Å; V912-I914 PolarHBondContact O-N 3.32Å; V912-L915 PolarHBondContact O-N 3.48Å; V912-I916 PolarHBondContact O-N 3.35Å
913	G	57.6	Low	56.1	Low	24 Å²	24	49 Å²	49	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-30.8	174.5	0	0	0	0	0	114	E909 G910 S911 P917	E909-G913 PolarHBondContact O-N 2.72Å; G910-G913 PolarHBondContact O-N 2.82Å; S911-G913 VanDerWaalsContact C-N 3.34Å; G913-P917 WeakPolarHBondContact O-CD 3.27Å
914	I	59	Low	56.2	Low	33 Å²	33	49.2 Å²	49.2	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-78.6	-32.8	177.2	-64.7	157.6	0	0	0	112	S890 I893 L894 Y897 G910 S911 V912 P917	S890-I914 WeakPolarHBondContact O-CG2 3.44Å; I893-I914 HydrophobicContact CB-CD1 4.48Å; I893-I914 HydrophobicContact CG2-CD1 3.55Å; L894-I914 HydrophobicContact CD1-CG2 4.11Å; L894-I914 HydrophobicContact CD2-CB 4.21Å; L894-I914 HydrophobicContact CD2-CD1 4.31Å; L894-I914 HydrophobicContact CD2-CG2 4.25Å; L894-I914 HydrophobicContact CG-CB 4.43Å; L894-I914 HydrophobicContact CG-CG2 3.91Å; Y897-I914 HydrophobicContact CE2-CD1 4.4Å; G910-I914 WeakPolarHBondContact O-CD1 3.45Å; G910-I914 VanDerWaalsContact O-CG1 3.27Å; G910-I914 WeakPolarHBondContact O-CG1 3.39Å; G910-I914 PolarHBondContact O-N 3.28Å; G910-I914 VanDerWaalsContact O-N 3.1Å; S911-I914 PolarHBondContact O-N 3.44Å; V912-I914 VanDerWaalsContact C-N 3.27Å; V912-I914 PolarHBondContact O-N 3.32Å; I914-P917 WeakPolarHBondContact O-CD 3.5Å
915	L	58	Low	56.1	Low	7 Å²	7	46.1 Å²	46.1	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-71.5	-28.8	-179.7	-73.6	169.2	0	0	0	113.4	V845 L848 L852 L894 S911 V912 V918 I919	V845-L915 HydrophobicContact CG1-CD1 3.87Å; L848-L915 HydrophobicContact CD2-CD1 4.37Å; L852-L915 HydrophobicContact CD1-CD2 4.02Å; L894-L915 HydrophobicContact CD1-CD2 3.64Å; L894-L915 HydrophobicContact CD1-CG 4.08Å; S911-L915 WeakPolarHBondContact O-CG 3.5Å; S911-L915 PolarHBondContact O-N 2.73Å; V912-L915 PolarHBondContact O-N 3.48Å; L915-V918 PolarHBondContact O-N 3.22Å; L915-I919 VanDerWaalsContact O-CG1 3.28Å; L915-I919 WeakPolarHBondContact O-CG1 3.44Å; L915-I919 PolarHBondContact O-N 3.47Å
916	I	56.5	Low	56	Low	65 Å²	65	47.2 Å²	47.2	33%	0.333	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-51.2	-179.2	-68.9	166.2	0	0	0	111.9	V912 V918 I919 S920	V912-I916 PolarHBondContact O-N 3.35Å; I916-V918 VanDerWaalsContact C-N 3.29Å; I916-V918 PolarHBondContact O-N 2.94Å; I916-I919 PolarHBondContact O-N 3.26Å; I916-S920 WeakPolarHBondContact O-CB 3.33Å; I916-S920 PolarHBondContact O-N 3.26Å; I916-S920 PolarHBondContact O-OG 3.35Å
917	P	53.8	Low	56.1	Low	74 Å²	74	49.8 Å²	49.8	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-38.5	173.5	-26.3	32.4	0	0	0	113.9	G913 I914 S920 A921	G913-P917 WeakPolarHBondContact O-CD 3.27Å; I914-P917 WeakPolarHBondContact O-CD 3.5Å; P917-S920 PolarHBondContact O-N 3Å; P917-A921 VanDerWaalsContact O-CB 3.28Å; P917-A921 WeakPolarHBondContact O-CB 3.42Å; P917-A921 PolarHBondContact O-N 2.86Å
918	V	56.1	Low	55.8	Low	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-46.6	179.5	171.9	0	0	0	0	111	V887 S890 F891 L915 I916 S920 A921 L922	V887-V918 HydrophobicContact CG1-CG1 3.84Å; S890-V918 VanDerWaalsContact CB-CG2 3.44Å; F891-V918 HydrophobicContact CE2-CG1 3.82Å; F891-V918 HydrophobicContact CZ-CG1 3.8Å; L915-V918 PolarHBondContact O-N 3.22Å; I916-V918 VanDerWaalsContact C-N 3.29Å; I916-V918 PolarHBondContact O-N 2.94Å; V918-S920 PolarHBondContact O-N 3.1Å; V918-A921 PolarHBondContact O-N 3.23Å; V918-L922 HydrophobicContact CG1-CD1 4.04Å; V918-L922 WeakPolarHBondContact O-CG 3.41Å; V918-L922 PolarHBondContact O-N 3.39Å
919	I	56.4	Low	55.4	Low	50 Å²	50	48.6 Å²	48.6	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-41.8	177.6	-67	165.7	0	0	0	110.7	L848 L852 L915 I916 L922 K923	L848-I919 HydrophobicContact CD2-CD1 4.44Å; L852-I919 HydrophobicContact CD1-CG1 4.38Å; L915-I919 VanDerWaalsContact O-CG1 3.28Å; L915-I919 WeakPolarHBondContact O-CG1 3.44Å; L915-I919 PolarHBondContact O-N 3.47Å; I916-I919 PolarHBondContact O-N 3.26Å; I919-L922 PolarHBondContact O-N 3.15Å; I919-K923 WeakPolarHBondContact O-CB 3.49Å; I919-K923 PolarHBondContact O-N 3.3Å
920	S	55.7	Low	55.1	Low	60 Å²	60	54.1 Å²	54.1	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176.5	-68.6	0	0	0	0	112.6	I916 P917 V918 K923 Y924	I916-S920 WeakPolarHBondContact O-CB 3.33Å; I916-S920 PolarHBondContact O-N 3.26Å; I916-S920 PolarHBondContact O-OG 3.35Å; P917-S920 PolarHBondContact O-N 3Å; V918-S920 PolarHBondContact O-N 3.1Å; S920-K923 PolarHBondContact O-N 3.02Å; S920-Y924 WeakPolarHBondContact O-CB 3.48Å; S920-Y924 PolarHBondContact O-N 3.4Å
921	A	54.6	Low	54.4	Low	25 Å²	25	59.6 Å²	59.6	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-44.9	176.1	0	0	0	0	0	111.6	V883 V887 P917 V918 K923 Y924 L925	V883-A921 HydrophobicContact CG1-CB 4.09Å; V887-A921 HydrophobicContact CG2-CB 3.96Å; P917-A921 VanDerWaalsContact O-CB 3.28Å; P917-A921 WeakPolarHBondContact O-CB 3.42Å; P917-A921 PolarHBondContact O-N 2.86Å; V918-A921 PolarHBondContact O-N 3.23Å; A921-K923 VanDerWaalsContact C-N 3.33Å; A921-K923 PolarHBondContact O-N 3.24Å; A921-Y924 WeakPolarHBondContact O-CB 3.4Å; A921-Y924 PolarHBondContact O-N 3.5Å; A921-L925 VanDerWaalsContact O-CG 3.29Å; A921-L925 WeakPolarHBondContact O-CG 3.32Å; A921-L925 PolarHBondContact O-N 2.88Å
922	L	55.2	Low	53.7	Low	13 Å²	13	63.3 Å²	63.3	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-41.8	175.8	-72.9	168.6	0	0	0	112	L852 L859 V918 I919 Y924 L925 E926	L852-L922 HydrophobicContact CD2-CD1 3.63Å; L859-L922 HydrophobicContact CD1-CD2 4.2Å; V918-L922 HydrophobicContact CG1-CD1 4.04Å; V918-L922 WeakPolarHBondContact O-CG 3.41Å; V918-L922 PolarHBondContact O-N 3.39Å; I919-L922 PolarHBondContact O-N 3.15Å; L922-Y924 PolarHBondContact O-N 3.15Å; L922-L925 HydrophobicContact CD2-CD1 4.5Å; L922-L925 WeakPolarHBondContact O-CB 3.43Å; L922-L925 PolarHBondContact O-N 3.1Å; L922-E926 WeakPolarHBondContact O-CG 3.23Å; L922-E926 PolarHBondContact O-N 3.18Å
923	K	55	Low	53	Low	93 Å²	93	68.9 Å²	68.9	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-39.1	175.6	-170.8	-177.7	177.7	-166.1	0	112.4	I919 S920 A921 E926 Q927	I919-K923 WeakPolarHBondContact O-CB 3.49Å; I919-K923 PolarHBondContact O-N 3.3Å; S920-K923 PolarHBondContact O-N 3.02Å; A921-K923 VanDerWaalsContact C-N 3.33Å; A921-K923 PolarHBondContact O-N 3.24Å; K923-E926 PolarHBondContact O-N 3.33Å; K923-Q927 WeakPolarHBondContact O-CB 3.47Å; K923-Q927 VanDerWaalsContact O-CG 3.3Å; K923-Q927 WeakPolarHBondContact O-CG 3.41Å; K923-Q927 PolarHBondContact O-N 3.08Å
924	Y	55.4	Low	52.3	Low	154 Å²	154	74.7 Å²	74.7	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-64	-42	175	-179.3	-94.5	0	0	0	111.4	S920 A921 L922 E926 Q927 S928	S920-Y924 WeakPolarHBondContact O-CB 3.48Å; S920-Y924 PolarHBondContact O-N 3.4Å; A921-Y924 WeakPolarHBondContact O-CB 3.4Å; A921-Y924 PolarHBondContact O-N 3.5Å; L922-Y924 PolarHBondContact O-N 3.15Å; Y924-E926 VanDerWaalsContact C-N 3.31Å; Y924-E926 PolarHBondContact O-N 3.37Å; Y924-Q927 PolarHBondContact O-N 2.96Å; Y924-S928 WeakPolarHBondContact O-CB 3.41Å; Y924-S928 PolarHBondContact O-N 2.88Å; Y924-S928 VanDerWaalsContact O-N 3.16Å; Y924-S928 PolarHBondContact O-OG 3.4Å
925	L	53.2	Low	51.5	Low	9 Å²	9	83.2 Å²	83.2	5%	0.047	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-36.9	175.7	-68.1	169.7	0	0	0	112.1	F880 V883 F884 A921 L922 S928	F880-L925 HydrophobicContact CD1-CD2 3.44Å; F880-L925 VanDerWaalsContact CD1-CD2 3.44Å; F880-L925 HydrophobicContact CD1-CG 4.41Å; F880-L925 HydrophobicContact CE1-CB 3.8Å; F880-L925 HydrophobicContact CE1-CD1 4.45Å; F880-L925 HydrophobicContact CE1-CD2 3.2Å; F880-L925 HydrophobicContact CE1-CG 3.96Å; F880-L925 HydrophobicContact CE2-CD2 4.38Å; F880-L925 HydrophobicContact CG-CD2 4.12Å; F880-L925 HydrophobicContact CZ-CB 4.32Å; F880-L925 HydrophobicContact CZ-CD2 3.73Å; V883-L925 HydrophobicContact CB-CD1 4.31Å; V883-L925 HydrophobicContact CB-CD2 3.95Å; V883-L925 HydrophobicContact CG1-CD1 3.7Å; V883-L925 HydrophobicContact CG1-CD2 3.92Å; V883-L925 HydrophobicContact CG1-CG 3.96Å; V883-L925 HydrophobicContact CG2-CD2 4.21Å; F884-L925 HydrophobicContact CD2-CD1 4.35Å; F884-L925 HydrophobicContact CE2-CD1 4.17Å; A921-L925 VanDerWaalsContact O-CG 3.29Å; A921-L925 WeakPolarHBondContact O-CG 3.32Å; A921-L925 PolarHBondContact O-N 2.88Å; L922-L925 HydrophobicContact CD2-CD1 4.5Å; L922-L925 WeakPolarHBondContact O-CB 3.43Å; L922-L925 PolarHBondContact O-N 3.1Å; L925-S928 PolarHBondContact O-OG 3.35Å
926	E	53.8	Low	50.6	Low	77 Å²	77	94 Å²	94	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-74.9	-33.5	176.7	-72.5	-177.7	161.8	0	0	113.6	L922 K923 Y924	L922-E926 WeakPolarHBondContact O-CG 3.23Å; L922-E926 PolarHBondContact O-N 3.18Å; K923-E926 PolarHBondContact O-N 3.33Å; Y924-E926 VanDerWaalsContact C-N 3.31Å; Y924-E926 PolarHBondContact O-N 3.37Å
927	Q	54.5	Low	50	Low	120 Å²	120	95.6 Å²	95.6	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-78	-24.7	-179.5	-76.2	-179.1	-13.2	0	0	114	K923 Y924 Y929	K923-Q927 WeakPolarHBondContact O-CB 3.47Å; K923-Q927 VanDerWaalsContact O-CG 3.3Å; K923-Q927 WeakPolarHBondContact O-CG 3.41Å; K923-Q927 PolarHBondContact O-N 3.08Å; Y924-Q927 PolarHBondContact O-N 2.96Å; Q927-Y929 VanDerWaalsContact C-N 3.29Å; Q927-Y929 PolarHBondContact O-N 3.49Å
928	S	50.3	Low	49.7	Very low	60 Å²	60	99.2 Å²	99.2	42%	0.42	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.4	-172.1	39.9	0	0	0	0	114.4	Y924 L925	Y924-S928 WeakPolarHBondContact O-CB 3.41Å; Y924-S928 PolarHBondContact O-N 2.88Å; Y924-S928 VanDerWaalsContact O-N 3.16Å; Y924-S928 PolarHBondContact O-OG 3.4Å; L925-S928 PolarHBondContact O-OG 3.35Å
929	Y	49.2	Very low	49.2	Very low	29 Å²	29	107 Å²	107	11%	0.114	50%	0.498	C	S	.	.			trans	-127.4	105.9	179.5	-114.9	-99.3	0	0	0	113.1	R876 F880 Q927 E931 F932	R876-Y929 WeakPolarHBondContact CD-OH 3.42Å; R876-Y929 PolarHBondContact NH1-OH 3.37Å; F880-Y929 HydrophobicContact CE2-CD2 4.19Å; F880-Y929 HydrophobicContact CE2-CE2 4.22Å; F880-Y929 HydrophobicContact CZ-CD2 4.39Å; Q927-Y929 VanDerWaalsContact C-N 3.29Å; Q927-Y929 PolarHBondContact O-N 3.49Å; Y929-E931 HydrophobicContact CD1-CB 4.11Å; Y929-E931 PolarHBondContact O-N 3.32Å; Y929-F932 HydrophobicContact CD1-CD2 4.09Å; Y929-F932 HydrophobicContact CD1-CE2 4.34Å; Y929-F932 HydrophobicContact CG-CD2 4.3Å; Y929-F932 PolarHBondContact O-N 2.96Å
930	E	46.2	Very low	48.5	Very low	175 Å²	175	107.3 Å²	107.3	82%	0.818	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.6	174.5	-77.3	-172.5	153.9	0	0	113.3	F932 H933	E930-F932 VanDerWaalsContact C-N 3.3Å; E930-F932 PolarHBondContact O-N 3.1Å; E930-H933 WeakPolarHBondContact O-CB 3.47Å; E930-H933 PolarHBondContact O-N 3.07Å
931	E	45.6	Very low	48	Very low	146 Å²	146	108.6 Å²	108.6	68%	0.682	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-71.3	-21.9	178.8	-98.3	178.2	160.4	0	0	113.7	Y929	Y929-E931 HydrophobicContact CD1-CB 4.11Å; Y929-E931 PolarHBondContact O-N 3.32Å
932	F	45.3	Very low	47.7	Very low	80 Å²	80	111 Å²	111	35%	0.351	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-86.4	-13.8	173.6	-79	-83.2	0	0	0	113.1	F863 L866 Y929 E930 N934	F863-F932 HydrophobicContact CE1-CE2 4.06Å; F863-F932 HydrophobicContact CZ-CE2 4.23Å; L866-F932 HydrophobicContact CD1-CE2 4.17Å; L866-F932 HydrophobicContact CD1-CZ 4.23Å; Y929-F932 HydrophobicContact CD1-CD2 4.09Å; Y929-F932 HydrophobicContact CD1-CE2 4.34Å; Y929-F932 HydrophobicContact CG-CD2 4.3Å; Y929-F932 PolarHBondContact O-N 2.96Å; E930-F932 VanDerWaalsContact C-N 3.3Å; E930-F932 PolarHBondContact O-N 3.1Å; F932-N934 PolarHBondContact O-N 3.29Å
933	H	42.4	Very low	47.2	Very low	151 Å²	151	115 Å²	115	70%	0.699	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.2	175.3	-102.9	18.6	0	0	0	114.2	E930	E930-H933 WeakPolarHBondContact O-CB 3.47Å; E930-H933 PolarHBondContact O-N 3.07Å
934	N	42.4	Very low	46.7	Very low	147 Å²	147	113.3 Å²	113.3	79%	0.786	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.6	-173.1	-79.1	-33.5	0	0	0	115.7	F932	F932-N934 PolarHBondContact O-N 3.29Å
935	R	41.2	Very low	46.2	Very low	212 Å²	212	109.5 Å²	109.5	80%	0.8	53%	0.53	S	S	*	.	S	Bend	trans	-107	109	168.2	-72.9	-170.8	-178	-173.8	4.1	109.7	D937	R935-D937 VanDerWaalsContact C-N 3.29Å; R935-D937 PolarHBondContact O-N 3.25Å
936	R	38.9	Very low	45.9	Very low	232 Å²	232	114.4 Å²	114.4	88%	0.875	55%	0.551	S	S	*	*			trans	-69	84.4	172.5	-71.9	-177.2	178.5	-176.5	-0.9	109.6	E938	R936-E938 PolarHBondContact O-N 3.46Å
937	D	45.2	Very low	45.5	Very low	99 Å²	99	113 Å²	113	53%	0.529	55%	0.548	S	S	.	.			trans	-87.3	95.3	163.2	-79.1	-30	0	0	0	108.5	R935 E939 L940	R935-D937 VanDerWaalsContact C-N 3.29Å; R935-D937 PolarHBondContact O-N 3.25Å; D937-E939 PolarHBondContact O-N 3.44Å; D937-L940 HydrophobicContact CB-CB 4.4Å; D937-L940 PolarHBondContact O-N 3.38Å; D937-L940 VanDerWaalsContact O-N 3.11Å
938	E	47.5	Very low	45	Very low	150 Å²	150	112.3 Å²	112.3	70%	0.701	54%	0.54	S	S	*	.	H	α-helix	trans	-58.5	-25.1	177.1	-69.2	-176.1	165.3	0	0	112.1	R936 V942	R936-E938 PolarHBondContact O-N 3.46Å; E938-V942 VanDerWaalsContact O-CG2 3.28Å; E938-V942 WeakPolarHBondContact O-CG2 3.01Å; E938-V942 PolarHBondContact O-N 3.42Å
939	E	45.5	Very low	44.8	Very low	164 Å²	164	115 Å²	115	77%	0.766	54%	0.544	S	S	*	.	H	α-helix	trans	-69.2	-35.6	175.4	-69.4	-177.1	165.3	0	0	112.6	D937 V941 V942 E943	D937-E939 PolarHBondContact O-N 3.44Å; E939-V941 PolarHBondContact O-N 3.02Å; E939-V942 PolarHBondContact O-N 3.38Å; E939-E943 PolarHBondContact O-N 2.99Å
940	L	41.7	Very low	44.7	Very low	57 Å²	57	117.3 Å²	117.3	30%	0.298	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-38.5	178.8	-127.1	92.8	0	0	0	112.1	D937 V942 E943 A944	D937-L940 HydrophobicContact CB-CB 4.4Å; D937-L940 PolarHBondContact O-N 3.38Å; D937-L940 VanDerWaalsContact O-N 3.11Å; L940-V942 VanDerWaalsContact C-N 3.31Å; L940-E943 PolarHBondContact O-N 3.16Å; L940-A944 WeakPolarHBondContact O-CB 3.4Å; L940-A944 PolarHBondContact O-N 2.87Å
941	V	45.6	Very low	44.6	Very low	88 Å²	88	112.7 Å²	112.7	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-36	176.4	177.6	0	0	0	0	110.3	E939 N945	E939-V941 PolarHBondContact O-N 3.02Å; V941-N945 WeakPolarHBondContact O-CB 3.42Å; V941-N945 PolarHBondContact O-N 3.09Å; V941-N945 PolarHBondContact O-ND2 2.96Å
942	V	48.2	Very low	44.5	Very low	75 Å²	75	108.9 Å²	108.9	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-44.7	175.7	170.2	0	0	0	0	111.3	E938 E939 L940 N945 K946	E938-V942 VanDerWaalsContact O-CG2 3.28Å; E938-V942 WeakPolarHBondContact O-CG2 3.01Å; E938-V942 PolarHBondContact O-N 3.42Å; E939-V942 PolarHBondContact O-N 3.38Å; L940-V942 VanDerWaalsContact C-N 3.31Å; V942-N945 PolarHBondContact O-N 3.28Å; V942-K946 WeakPolarHBondContact O-CG 2.99Å; V942-K946 PolarHBondContact O-N 3.11Å
943	E	43.9	Very low	44.4	Very low	96 Å²	96	107.5 Å²	107.5	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-72.8	-39.3	179.2	-66.8	-54.9	140.8	0	0	112.7	E939 L940 N945 K946 V947	E939-E943 PolarHBondContact O-N 2.99Å; L940-E943 PolarHBondContact O-N 3.16Å; E943-N945 PolarHBondContact O-N 3.5Å; E943-K946 WeakPolarHBondContact O-CB 3.44Å; E943-K946 PolarHBondContact O-N 2.78Å; E943-K946 WeakPolarHBondContact OE1-CD 3.46Å; E943-K946 WeakPolarHBondContact OE1-CE 3.5Å; E943-K946 IonicContact OE1-NZ 2.66Å; E943-K946 PolarHBondContact OE1-NZ 3.23Å; E943-K946 VanDerWaalsContact OE2-CD 3.24Å; E943-K946 WeakPolarHBondContact OE2-CD 3.4Å; E943-K946 IonicContact OE2-NZ 3.78Å; E943-V947 WeakPolarHBondContact O-CG2 3.36Å; E943-V947 PolarHBondContact O-N 3.39Å
944	A	43.7	Very low	44.4	Very low	59 Å²	59	104.4 Å²	104.4	49%	0.488	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-35.3	170.3	0	0	0	0	0	111.6	L940 R948	L940-A944 WeakPolarHBondContact O-CB 3.4Å; L940-A944 PolarHBondContact O-N 2.87Å; A944-R948 WeakPolarHBondContact O-CB 3.49Å; A944-R948 PolarHBondContact O-N 3.43Å
945	N	46	Very low	44.3	Very low	73 Å²	73	100.4 Å²	100.4	39%	0.39	48%	0.482	S	S	.	.	H	α-helix	trans	-72.1	-30.6	173.1	-76.8	-35.3	0	0	0	113.1	V941 V942 E943 F949	V941-N945 WeakPolarHBondContact O-CB 3.42Å; V941-N945 PolarHBondContact O-N 3.09Å; V941-N945 PolarHBondContact O-ND2 2.96Å; V942-N945 PolarHBondContact O-N 3.28Å; E943-N945 PolarHBondContact O-N 3.5Å; N945-F949 VanDerWaalsContact O-CB 3.22Å; N945-F949 WeakPolarHBondContact O-CB 3.1Å; N945-F949 PolarHBondContact O-N 3.13Å
946	K	47	Very low	44.2	Very low	112 Å²	112	95.4 Å²	95.4	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-69.2	-43.3	172.9	-75.5	170.5	179.4	177.4	0	111.9	V942 E943 F949 F950	V942-K946 WeakPolarHBondContact O-CG 2.99Å; V942-K946 PolarHBondContact O-N 3.11Å; E943-K946 WeakPolarHBondContact O-CB 3.44Å; E943-K946 PolarHBondContact O-N 2.78Å; E943-K946 WeakPolarHBondContact OE1-CD 3.46Å; E943-K946 WeakPolarHBondContact OE1-CE 3.5Å; E943-K946 IonicContact OE1-NZ 2.66Å; E943-K946 PolarHBondContact OE1-NZ 3.23Å; E943-K946 VanDerWaalsContact OE2-CD 3.24Å; E943-K946 WeakPolarHBondContact OE2-CD 3.4Å; E943-K946 IonicContact OE2-NZ 3.78Å; K946-F949 WeakPolarHBondContact O-CB 3.13Å; K946-F949 PolarHBondContact O-N 3.25Å; K946-F950 PolarHBondContact O-N 2.85Å
947	V	44.7	Very low	44.1	Very low	49 Å²	49	87.4 Å²	87.4	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-43.1	173.4	175.9	0	0	0	0	110.5	L848 E943 F949 F950 I951	L848-V947 HydrophobicContact CD1-CG2 4.13Å; E943-V947 WeakPolarHBondContact O-CG2 3.36Å; E943-V947 PolarHBondContact O-N 3.39Å; V947-F949 PolarHBondContact O-N 3.01Å; V947-F950 PolarHBondContact O-N 3.29Å; V947-I951 HydrophobicContact CG1-CD1 4.1Å; V947-I951 WeakPolarHBondContact O-CG1 3.45Å; V947-I951 PolarHBondContact O-N 2.9Å
948	R	43.9	Very low	43.5	Very low	104 Å²	104	89.6 Å²	89.6	39%	0.392	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-38.4	173.2	-171.2	-179.3	-171.1	177.7	6.4	112.9	V817 A944 I951 N952	V817-R948 VanDerWaalsContact CG1-CZ 3.49Å; V817-R948 VanDerWaalsContact CG1-NE 3.33Å; V817-R948 PolarHBondContact O-NH2 2.84Å; A944-R948 WeakPolarHBondContact O-CB 3.49Å; A944-R948 PolarHBondContact O-N 3.43Å; R948-I951 PolarHBondContact O-N 2.91Å; R948-N952 WeakPolarHBondContact O-CB 3.3Å; R948-N952 PolarHBondContact O-N 2.72Å; R948-N952 PolarHBondContact O-ND2 2.99Å
949	F	46.1	Very low	43	Very low	116 Å²	116	88.6 Å²	88.6	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-65.1	-39.9	175.3	179	-96.2	0	0	0	111.5	N945 K946 V947 N952 L953	N945-F949 VanDerWaalsContact O-CB 3.22Å; N945-F949 WeakPolarHBondContact O-CB 3.1Å; N945-F949 PolarHBondContact O-N 3.13Å; K946-F949 WeakPolarHBondContact O-CB 3.13Å; K946-F949 PolarHBondContact O-N 3.25Å; V947-F949 PolarHBondContact O-N 3.01Å; F949-N952 PolarHBondContact O-N 3.22Å; F949-L953 HydrophobicContact CE1-CD1 4.5Å; F949-L953 WeakPolarHBondContact O-CB 3.4Å; F949-L953 PolarHBondContact O-N 2.69Å
950	F	47.9	Very low	42.2	Very low	78 Å²	78	86 Å²	86	34%	0.342	46%	0.464	S	S	.	.	H	α-helix	trans	-69	-38.2	177.5	-150.1	-87.9	0	0	0	112.4	E844 K946 V947 L953 L954	E844-F950 HydrophobicContact CB-CE1 4.26Å; E844-F950 HydrophobicContact CB-CE2 4.11Å; E844-F950 HydrophobicContact CB-CZ 3.52Å; E844-F950 HydrophobicContact CG-CE2 3.92Å; E844-F950 HydrophobicContact CG-CZ 3.67Å; K946-F950 PolarHBondContact O-N 2.85Å; V947-F950 PolarHBondContact O-N 3.29Å; F950-L953 WeakPolarHBondContact O-CB 3.41Å; F950-L953 PolarHBondContact O-N 3.25Å; F950-L954 HydrophobicContact CD1-CD1 4.26Å; F950-L954 HydrophobicContact CE1-CD1 4.45Å; F950-L954 WeakPolarHBondContact O-CG 3.24Å; F950-L954 PolarHBondContact O-N 3.28Å
951	I	44.6	Very low	41.7	Very low	78 Å²	78	86.4 Å²	86.4	40%	0.4	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-42.4	171.1	-67.8	167.3	0	0	0	110.7	V947 R948 L953 L954 N955	V947-I951 HydrophobicContact CG1-CD1 4.1Å; V947-I951 WeakPolarHBondContact O-CG1 3.45Å; V947-I951 PolarHBondContact O-N 2.9Å; R948-I951 PolarHBondContact O-N 2.91Å; I951-L953 PolarHBondContact O-N 2.77Å; I951-L954 PolarHBondContact O-N 2.06Å; I951-N955 PolarHBondContact O-N 2.94Å
952	N	43.9	Very low	40.9	Very low	67 Å²	67	91.1 Å²	91.1	36%	0.358	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-36.1	175.6	-68.9	-18.6	0	0	0	112.6	R948 F949 L954 N955 D956	R948-N952 WeakPolarHBondContact O-CB 3.3Å; R948-N952 PolarHBondContact O-N 2.72Å; R948-N952 PolarHBondContact O-ND2 2.99Å; F949-N952 PolarHBondContact O-N 3.22Å; N952-L954 PolarHBondContact O-N 3.26Å; N952-N955 PolarHBondContact O-N 3.14Å; N952-N955 VanDerWaalsContact O-N 3.11Å; N952-D956 PolarHBondContact O-N 3.5Å
953	L	43.3	Very low	40.2	Very low	51 Å²	51	94.8 Å²	94.8	27%	0.267	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-34.4	176.3	-164.1	84.4	0	0	0	111.8	F949 F950 I951	F949-L953 HydrophobicContact CE1-CD1 4.5Å; F949-L953 WeakPolarHBondContact O-CB 3.4Å; F949-L953 PolarHBondContact O-N 2.69Å; F950-L953 WeakPolarHBondContact O-CB 3.41Å; F950-L953 PolarHBondContact O-N 3.25Å; I951-L953 PolarHBondContact O-N 2.77Å
954	L	42.5	Very low	40	Very low	86 Å²	86	98.6 Å²	98.6	45%	0.45	53%	0.526	S	S	.	.	H	α-helix	trans	-77.1	-25.5	175.3	-68.1	168	0	0	0	112.8	F830 F950 I951 N952	F830-L954 HydrophobicContact CE1-CD2 4.44Å; F950-L954 HydrophobicContact CD1-CD1 4.26Å; F950-L954 HydrophobicContact CE1-CD1 4.45Å; F950-L954 WeakPolarHBondContact O-CG 3.24Å; F950-L954 PolarHBondContact O-N 3.28Å; I951-L954 PolarHBondContact O-N 2.06Å; N952-L954 PolarHBondContact O-N 3.26Å
955	N	39.3	Very low	39.5	Very low	62 Å²	62	104 Å²	104	33%	0.332	54%	0.539	S	S	.	.	H	α-helix	trans	-84.5	-28.1	-175.7	-80	-5.5	0	0	0	114.7	E820 I951 N952 G957	E820-N955 PolarHBondContact OE2-ND2 2.89Å; I951-N955 PolarHBondContact O-N 2.94Å; N952-N955 PolarHBondContact O-N 3.14Å; N952-N955 VanDerWaalsContact O-N 3.11Å; N955-G957 VanDerWaalsContact C-N 3.29Å; N955-G957 PolarHBondContact O-N 2.68Å
956	D	38.2	Very low	39.1	Very low	107 Å²	107	105.6 Å²	105.6	57%	0.572	55%	0.545	S	S	*	.			trans	-77.9	74.5	-180	-84.6	-21.9	0	0	0	111.8	N952 N958 Y959	N952-D956 PolarHBondContact O-N 3.5Å; D956-N958 PolarHBondContact O-N 2.69Å; D956-Y959 HydrophobicContact CB-CE2 4.07Å; D956-Y959 WeakPolarHBondContact O-CD2 3.37Å; D956-Y959 WeakPolarHBondContact O-CE2 3.39Å
957	G	37.6	Very low	38.7	Very low	65 Å²	65	104.3 Å²	104.3	67%	0.67	55%	0.547	S	S	*	.			trans	-67.3	30.4	177.5	0	0	0	0	0	116.1	N955	N955-G957 VanDerWaalsContact C-N 3.29Å; N955-G957 PolarHBondContact O-N 2.68Å
958	N	32.9	Very low	38.3	Very low	144 Å²	144	106.8 Å²	106.8	77%	0.77	56%	0.555	S	S	*	*			trans	-130.5	49.3	-175.7	-133.4	0.4	0	0	0	112.7	D956 S960	D956-N958 PolarHBondContact O-N 2.69Å; N958-S960 VanDerWaalsContact C-N 3.35Å; N958-S960 PolarHBondContact O-N 3.38Å; N958-S960 VanDerWaalsContact O-N 3.16Å
959	Y	36.7	Very low	38.1	Very low	129 Å²	129	110.9 Å²	110.9	51%	0.506	57%	0.572	S	S	.	*			trans	-89.1	68.1	176.8	-69.6	-75	0	0	0	112.3	D956 M966	D956-Y959 HydrophobicContact CB-CE2 4.07Å; D956-Y959 WeakPolarHBondContact O-CD2 3.37Å; D956-Y959 WeakPolarHBondContact O-CE2 3.39Å; Y959-M966 HydrophobicContact CE1-CE 4.19Å
960	S	29.4	Very low	37.7	Very low	111 Å²	111	110.8 Å²	110.8	78%	0.776	58%	0.576	S	S	*	*			trans	-101.5	85.5	159.9	60.7	0	0	0	0	109.8	N958	N958-S960 VanDerWaalsContact C-N 3.35Å; N958-S960 PolarHBondContact O-N 3.38Å; N958-S960 VanDerWaalsContact O-N 3.16Å
961	G	30.6	Very low	37.2	Very low	65 Å²	65	115.3 Å²	115.3	67%	0.67	60%	0.596	S	S	*	*	S	Bend	trans	103.5	86.2	161.3	0	0	0	0	0	116.6
962	Q	28.3	Very low	36.7	Very low	187 Å²	187	120.7 Å²	120.7	87%	0.874	63%	0.625	S	S	*	*			trans	-176.7	89	137.8	-100.9	172.3	34.5	0	0	108.4
963	N	34.7	Very low	36.4	Very low	151 Å²	151	123.4 Å²	123.4	81%	0.807	64%	0.639	S	S	*	*			trans	-118.8	45.7	-153.9	-135.8	1.7	0	0	0	114.5
964	Y	38.2	Very low	36	Very low	176 Å²	176	127.2 Å²	127.2	69%	0.69	66%	0.658	S	S	*	*	S	Bend	trans	-150.4	-41.1	172.1	-151.5	-101.2	0	0	0	114.1
965	F	33.7	Very low	35.6	Very low	174 Å²	174	129.4 Å²	129.4	76%	0.763	67%	0.67	S	S	*	*	H	α-helix	trans	-73.8	-31.5	-175.2	-95.7	-85.1	0	0	0	114.8	E968 Y969	F965-E968 PolarHBondContact O-N 2.98Å; F965-Y969 PolarHBondContact O-N 2.92Å
966	M	37.2	Very low	35.4	Very low	105 Å²	105	133.4 Å²	133.4	52%	0.517	69%	0.69	S	S	.	*	H	α-helix	trans	-77.5	-27.2	-179.4	-81.5	-141.3	-78.6	0	0	113.8	Y959 E968 Y969 L970	Y959-M966 HydrophobicContact CE1-CE 4.19Å; M966-E968 VanDerWaalsContact C-N 3.31Å; M966-Y969 PolarHBondContact O-N 3.24Å; M966-L970 PolarHBondContact O-N 3.31Å; M966-L970 VanDerWaalsContact O-N 3.14Å
967	V	39	Very low	35.3	Very low	86 Å²	86	135.1 Å²	135.1	52%	0.521	70%	0.697	S	S	.	*	H	α-helix	trans	-71.7	-29.1	174	179	0	0	0	0	111	K971	V967-K971 WeakPolarHBondContact O-CB 3.48Å; V967-K971 WeakPolarHBondContact O-CG 3.31Å; V967-K971 PolarHBondContact O-N 3.18Å
968	E	37.1	Very low	35.1	Very low	101 Å²	101	139.7 Å²	139.7	47%	0.472	70%	0.699	S	S	.	*	H	α-helix	trans	-76	-30.8	171.7	-111.6	-176	171.3	0	0	112.9	F965 M966 K971 N972	F965-E968 PolarHBondContact O-N 2.98Å; M966-E968 VanDerWaalsContact C-N 3.31Å; E968-K971 PolarHBondContact O-N 2.61Å; E968-N972 PolarHBondContact O-N 3.39Å; E968-N972 PolarHBondContact O-ND2 3.46Å
969	Y	38.8	Very low	35.3	Very low	189 Å²	189	139.4 Å²	139.4	74%	0.741	69%	0.694	S	S	*	*	H	α-helix	trans	-73	-28.2	175.4	-168.6	-93.2	0	0	0	113.2	F965 M966 N972	F965-Y969 PolarHBondContact O-N 2.92Å; M966-Y969 PolarHBondContact O-N 3.24Å; Y969-N972 VanDerWaalsContact O-OXT 3.07Å
970	L	37.1	Very low	35.2	Very low	115 Å²	115	140.2 Å²	140.2	60%	0.602	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-13	172.8	-73	167.3	0	0	0	113.4	M966	M966-L970 PolarHBondContact O-N 3.31Å; M966-L970 VanDerWaalsContact O-N 3.14Å
971	K	39.2	Very low	35.6	Very low	172 Å²	172	142.7 Å²	142.7	75%	0.748	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-22.5	173.8	-91.7	-177.2	173.6	-179.6	0	113.6	V967 E968	V967-K971 WeakPolarHBondContact O-CB 3.48Å; V967-K971 WeakPolarHBondContact O-CG 3.31Å; V967-K971 PolarHBondContact O-N 3.18Å; E968-K971 PolarHBondContact O-N 2.61Å
972	N	33.6	Very low	36.1	Very low	191 Å²	191	149.7 Å²	149.7	100%	1.021	71%	0.705	S	S	*	*			trans	-96.5	0	172.4	-72	-37.1	0	0	0	109.9	E968 Y969	E968-N972 PolarHBondContact O-N 3.39Å; E968-N972 PolarHBondContact O-ND2 3.46Å; Y969-N972 VanDerWaalsContact O-OXT 3.07Å

Retrieved 972 of 972 residues in 271.1 ms (Link to these results)

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