A0A087XXG5_POEFO Loading...

Glycerol-3-phosphate acyltransferase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XXG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 800 aa.

						>A0A087XXG5_POEFO|A0A087XXG5
MMVNEKGDGINNNTSLPSIQQNRPALSWELKIKKRVTVPSCLGIFRPVMGQCCHQCTPNSLSKKLGQNSFLGFRNLLSINETQTRYRGWLVRRVCCVLYVSGCKVYGSPVSDRLERVCQSNRVKEALAAAHKAPEGEDSQGQHSLLSPLLSLINTCISPGLIRFMSWMMLKMFASVFGSIQVNRNHLPALHKATQEGSPLVYVYLRQSAVDCALIPLALLCHSLRTPYTVCPLHVKSSFLRSVLEKVGVILLPPNAATELEAEMDPLYSAVMTSLVRELLHEGQALSVGVSATSGHGGQWLARIRQLIKEGSVPDVSLVPVGISYDCAADTNVKEAGSQPVLQWLSLLLWKKPAGSVMIHLSQPFSLKEMCESGRCRVDEWLPLQDLLLPVIINNRSDSVFGKRRMSWLLPTLHSAPELEEKSHSDRDLSVAIVLHLIFSAASCTAVMSTSLVSSLLLYKHSKGVSTSVLCRDVAWLLEELLFRNRDVGFGGTLPEIIHYSLALLAPHLVIAALPSRKDPLIVPRPSTASVLHLSALAQKVTHTFILEAVGACAVSAMLCEVVLSGISSRVRSDGVEGEEVKGDMEFDVVLGQSELTEKALQLCHLLPPGIMPPCQSTQSFALDAVDSLVRCGILIMEEIPRDIHICDFWKREGTLTWTATDDPYHSDSDCEDQDLRSYKISQPKQCPEMLFFLCRMLAGHLRALCWTTSALDMMDSPLPEAEFLSRIHSDLCDTANQKKRHYESCSEEAAHTAVRTLIDLGVLLQTRQTGTVFLGVSPLFQLSENREKLQRFVSQYLYN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	27.1	Very low	246 Å²	246	151.8 Å²	151.8	100%	1.212	84%	0.837	S	S	*	*				0	115.1	0	-83.3	175.9	158.6	0	0	106.8
2	M	30.6	Very low	26.8	Very low	176 Å²	176	151.3 Å²	151.3	87%	0.867	83%	0.832	S	S	*	*			cis	-134.5	120.2	-3.3	-84.8	167.6	154.4	0	0	103.8
3	V	27.2	Very low	27	Very low	141 Å²	141	152.9 Å²	152.9	86%	0.855	84%	0.839	S	S	*	*				63.2	130.4	94	175.9	0	0	0	0	111.9
4	N	25.3	Very low	26.7	Very low	125 Å²	125	149.7 Å²	149.7	67%	0.668	83%	0.826	S	S	*	*			cis	176.2	149.5	-15.6	-163.7	10.4	0	0	0	103.7
5	E	26.1	Very low	27	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	83%	0.827	S	S	*	*			trans	164	100.8	139.2	-91.9	-179	167.6	0	0	107.7
6	K	27.9	Very low	26.7	Very low	184 Å²	184	148.3 Å²	148.3	80%	0.8	83%	0.826	S	S	*	*				62	126.7	94.6	-80.2	-176.2	174.1	178.2	0	111.4
7	G	24.3	Very low	26.4	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	82%	0.818	S	S	*	*			cis	178.2	172	11.4	0	0	0	0	0	109.1
8	D	24.3	Very low	26.1	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	82%	0.817	S	S	*	*			trans	-54.7	148.7	-169.5	-67.7	-55.5	0	0	0	117.7
9	G	24.7	Very low	26	Very low	64 Å²	64	144.6 Å²	144.6	66%	0.66	82%	0.816	S	S	*	*				85.6	118	122.1	0	0	0	0	0	117.7
10	I	25.7	Very low	25.9	Very low	168 Å²	168	145.7 Å²	145.7	86%	0.862	81%	0.814	S	S	*	*				174.5	131.5	117.6	-84.5	153.5	0	0	0	109
11	N	29.5	Very low	25.9	Very low	149 Å²	149	147.2 Å²	147.2	80%	0.797	82%	0.815	S	S	*	*			trans	-43	138.2	169.6	-104.7	-18.8	0	0	0	113.2
12	N	23.6	Very low	25.4	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	79%	0.793	S	S	*	*			trans	-171.6	130.3	130.3	-93.6	-22.1	0	0	0	112.7	T14	N12-T14 PolarHBondContact O-N 3.44Å; N12-T14 VanDerWaalsContact O-N 3.15Å; N12-T14 PolarHBondContact O-OG1 3.46Å
13	N	29.3	Very low	25	Very low	172 Å²	172	145 Å²	145	92%	0.92	79%	0.794	S	S	*	*			trans	-43.2	114.8	163.2	-75.6	-33.9	0	0	0	110.9
14	T	23.1	Very low	24.8	Very low	108 Å²	108	143.7 Å²	143.7	66%	0.663	79%	0.788	S	S	*	*			trans	-139.4	111.1	163.8	-35.7	0	0	0	0	108.8	N12 L16	N12-T14 PolarHBondContact O-N 3.44Å; N12-T14 VanDerWaalsContact O-N 3.15Å; N12-T14 PolarHBondContact O-OG1 3.46Å; T14-L16 PolarHBondContact O-N 3.27Å
15	S	30.9	Very low	24.8	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	80%	0.796	S	S	*	*			trans	-45.4	124.6	163	45.5	0	0	0	0	111.5
16	L	21.8	Very low	24.8	Very low	157 Å²	157	140.9 Å²	140.9	82%	0.822	79%	0.792	S	S	*	*			trans	-122.3	150.4	163.3	-93.6	126.7	0	0	0	109.2	T14	T14-L16 PolarHBondContact O-N 3.27Å
17	P	22.5	Very low	24.7	Very low	105 Å²	105	137.6 Å²	137.6	68%	0.682	79%	0.792	S	S	*	*			trans	-92.6	161.9	-133.5	0.3	19.1	0	0	0	112.6	I19	P17-I19 PolarHBondContact O-N 3.24Å
18	S	21.3	Very low	24.9	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	79%	0.787	S	S	*	*			trans	-49.9	112.3	167.1	53.4	0	0	0	0	110.8	Q20	S18-Q20 PolarHBondContact O-N 3.08Å
19	I	23.1	Very low	25	Very low	157 Å²	157	142.2 Å²	142.2	81%	0.805	78%	0.781	S	S	*	*			trans	-61.3	103.4	167	-68.3	170.2	0	0	0	106.9	P17 Q21	P17-I19 PolarHBondContact O-N 3.24Å; I19-Q21 VanDerWaalsContact C-N 3.35Å; I19-Q21 PolarHBondContact O-N 2.96Å
20	Q	25.3	Very low	25	Very low	165 Å²	165	146.7 Å²	146.7	77%	0.771	79%	0.789	S	S	*	*			trans	-65.2	94	172.9	-161.4	172	11.3	0	0	107.4	S18 N22	S18-Q20 PolarHBondContact O-N 3.08Å; Q20-N22 VanDerWaalsContact C-N 3.33Å; Q20-N22 PolarHBondContact O-N 2.77Å
21	Q	24.4	Very low	25	Very low	179 Å²	179	147.5 Å²	147.5	84%	0.836	79%	0.786	S	S	*	*			trans	-67.3	97	167.8	-80.5	-174.2	-11	0	0	108.1	I19 R23	I19-Q21 VanDerWaalsContact C-N 3.35Å; I19-Q21 PolarHBondContact O-N 2.96Å; Q21-R23 PolarHBondContact O-N 2.79Å
22	N	22.5	Very low	25	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	79%	0.786	S	S	*	*			trans	-56.9	98.7	165.7	-80.5	-29.7	0	0	0	109.2	Q20 P24	Q20-N22 VanDerWaalsContact C-N 3.33Å; Q20-N22 PolarHBondContact O-N 2.77Å; N22-P24 WeakPolarHBondContact O-CD 3.48Å
23	R	23.2	Very low	25.2	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	79%	0.788	S	S	*	*			trans	-59.8	124	162.7	-91.9	-177.9	174.8	178.1	-1.2	108.3	Q21 A25	Q21-R23 PolarHBondContact O-N 2.79Å; R23-A25 PolarHBondContact O-N 3.24Å
24	P	21.9	Very low	25.5	Very low	114 Å²	114	150.4 Å²	150.4	74%	0.74	78%	0.782	S	S	*	*			trans	-67.2	118.1	161.8	22.4	-21.4	0	0	0	108	N22 L26	N22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-L26 PolarHBondContact O-N 3.26Å
25	A	25.8	Very low	26	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	78%	0.781	S	S	*	*			trans	-66.7	92.8	173.6	0	0	0	0	0	109.5	R23 S27	R23-A25 PolarHBondContact O-N 3.24Å; A25-S27 PolarHBondContact O-N 3.26Å
26	L	26.1	Very low	26.1	Very low	138 Å²	138	151.4 Å²	151.4	72%	0.723	76%	0.764	S	S	*	*			trans	-76.9	104.5	161.6	-75.4	162.8	0	0	0	107	P24 W28	P24-L26 PolarHBondContact O-N 3.26Å; L26-W28 VanDerWaalsContact C-N 3.25Å; L26-W28 PolarHBondContact O-N 3.39Å
27	S	26.1	Very low	26.5	Very low	114 Å²	114	149.7 Å²	149.7	80%	0.797	76%	0.761	S	S	*	*			trans	-67.1	82.5	176.2	59.9	0	0	0	0	110.4	A25 E29	A25-S27 PolarHBondContact O-N 3.26Å; S27-E29 PolarHBondContact O-N 3.33Å
28	W	28.8	Very low	27.2	Very low	176 Å²	176	146 Å²	146	67%	0.667	74%	0.736	S	S	*	*			trans	-90.2	39.6	167.8	-74.7	35.5	0	0	0	110.4	L26 L30 H499	L26-W28 VanDerWaalsContact C-N 3.25Å; L26-W28 PolarHBondContact O-N 3.39Å; W28-L30 PolarHBondContact O-N 3.31Å; W28-H499 AromaticContact CE3-CE1 3.85Å; W28-H499 AromaticContact CZ3-CE1 3.75Å
29	E	25.5	Very low	28.1	Very low	167 Å²	167	144 Å²	144	78%	0.78	72%	0.721	S	S	*	*			trans	-94	81.9	175.4	-73.6	-157.3	150.5	0	0	110.5	S27	S27-E29 PolarHBondContact O-N 3.33Å
30	L	25.6	Very low	28.8	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	71%	0.708	S	S	*	*			trans	-87.2	113.3	150.9	-98.9	147.2	0	0	0	107.3	W28 I32	W28-L30 PolarHBondContact O-N 3.31Å; L30-I32 PolarHBondContact O-N 2.81Å
31	K	24.5	Very low	29.8	Very low	184 Å²	184	132.4 Å²	132.4	80%	0.8	67%	0.671	S	S	*	*			trans	-54.5	99.4	168.3	-82.2	173.6	176.9	165.4	0	108.2	K33	K31-K33 PolarHBondContact O-N 3.01Å
32	I	29.7	Very low	31	Very low	157 Å²	157	127.9 Å²	127.9	81%	0.805	65%	0.653	S	S	*	*			trans	-66.8	84.3	169.7	-58.2	172.9	0	0	0	107.2	L30	L30-I32 PolarHBondContact O-N 2.81Å
33	K	28.5	Very low	32.2	Very low	189 Å²	189	124.1 Å²	124.1	82%	0.822	65%	0.647	S	S	*	*			trans	-110.4	63.4	165.6	-88.7	-169.2	175.7	-177.8	0	108.4	K31	K31-K33 PolarHBondContact O-N 3.01Å
34	K	33.9	Very low	33.7	Very low	182 Å²	182	116.1 Å²	116.1	79%	0.791	62%	0.621	S	S	*	*			trans	-139.6	112.8	158.5	-91.7	-177.5	178.8	174.6	0	109.2	V36	K34-V36 PolarHBondContact O-N 3.21Å; K34-V36 VanDerWaalsContact O-N 3.11Å
35	R	34.3	Very low	35.7	Very low	167 Å²	167	120 Å²	120	63%	0.63	63%	0.627	S	S	*	*			trans	-58.6	110	164.3	-72.5	176.8	-179.9	-175.8	-1.6	106.3	T37 N80	R35-T37 PolarHBondContact O-N 2.95Å; R35-T37 PolarHBondContact O-OG1 3.35Å; R35-N80 PolarHBondContact NH1-OD1 3.49Å
36	V	32.5	Very low	37.8	Very low	81 Å²	81	116.5 Å²	116.5	49%	0.491	59%	0.592	S	S	.	*			trans	-62.7	104.8	175.4	-179.3	0	0	0	0	106.9	K34 V38	K34-V36 PolarHBondContact O-N 3.21Å; K34-V36 VanDerWaalsContact O-N 3.11Å; V36-V38 HydrophobicContact CG1-CG2 3.96Å
37	T	31	Very low	40.2	Very low	121 Å²	121	110.9 Å²	110.9	74%	0.742	56%	0.564	S	S	*	*			trans	-91.3	105.4	165.3	-42.4	0	0	0	0	102.6	R35 P39	R35-T37 PolarHBondContact O-N 2.95Å; R35-T37 PolarHBondContact O-OG1 3.35Å; T37-P39 WeakPolarHBondContact O-CD 3.18Å; T37-P39 WeakPolarHBondContact O-CG 3.27Å
38	V	38.1	Very low	42.7	Very low	27 Å²	27	109.1 Å²	109.1	16%	0.164	55%	0.548	C	S	.	.			trans	-63.5	107.8	-171.9	175	0	0	0	0	109.3	V36 Q181	V36-V38 HydrophobicContact CG1-CG2 3.96Å; V38-Q181 VanDerWaalsContact CG2-CD 3.49Å
39	P	38.6	Very low	45.3	Very low	74 Å²	74	101.7 Å²	101.7	48%	0.481	52%	0.521	S	S	.	.			trans	-82.7	176.6	170.2	3.9	19.7	0	0	0	108.8	T37 C41	T37-P39 WeakPolarHBondContact O-CD 3.18Å; T37-P39 WeakPolarHBondContact O-CG 3.27Å; P39-C41 PolarHBondContact O-N 2.81Å
40	S	38.7	Very low	48.1	Very low	76 Å²	76	94.4 Å²	94.4	53%	0.531	49%	0.491	S	S	.	.			trans	-42.2	127.9	165.2	45.4	0	0	0	0	111	L42	S40-L42 PolarHBondContact O-N 3.08Å
41	C	45.5	Very low	51.1	Low	1 Å²	1	91.6 Å²	91.6	1%	0.007	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-66.9	106.8	178.2	-148.6	0	0	0	0	107.5	P39 G43 I44 V488	P39-C41 PolarHBondContact O-N 2.81Å; C41-G43 PolarHBondContact O-N 3.09Å; C41-I44 WeakPolarHBondContact O-CB 3.29Å; C41-I44 PolarHBondContact O-N 3.26Å; C41-V488 HydrophobicContact CB-CG2 4.24Å
42	L	50.8	Low	54.2	Low	84 Å²	84	83.3 Å²	83.3	44%	0.44	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	25.9	178	-57.9	170.8	0	0	0	115.5	S40 I44 L478 G492	S40-L42 PolarHBondContact O-N 3.08Å; L42-I44 VanDerWaalsContact C-N 3.35Å; L42-L478 HydrophobicContact CD1-CD2 3.6Å; L42-G492 WeakPolarHBondContact CD2-O 3.28Å
43	G	47.4	Very low	57.1	Low	62 Å²	62	77.1 Å²	77.1	64%	0.639	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	7.5	-176.1	0	0	0	0	0	115.4	C41	C41-G43 PolarHBondContact O-N 3.09Å
44	I	54.6	Low	60	Low	66 Å²	66	74.5 Å²	74.5	34%	0.338	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-93.6	139.5	-179.1	-52.5	169.3	0	0	0	110.7	C41 L42 L482	C41-I44 WeakPolarHBondContact O-CB 3.29Å; C41-I44 PolarHBondContact O-N 3.26Å; L42-I44 VanDerWaalsContact C-N 3.35Å; I44-L482 HydrophobicContact CB-CD1 4.21Å; I44-L482 HydrophobicContact CD1-CD1 3.62Å; I44-L482 HydrophobicContact CG2-CD1 3.91Å
45	F	63.3	Low	62.6	Low	195 Å²	195	70.4 Å²	70.4	86%	0.855	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-67.2	129.7	175.5	-75.1	-83.6	0	0	0	110.8
46	R	71.2	Confident	65.3	Low	28 Å²	28	62.5 Å²	62.5	11%	0.106	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-78.7	136.5	176.8	-70	175	175.7	-101.5	-5.8	110.5	F70 D487 V488 F490	R46-F70 HydrophobicContact CB-CE2 3.85Å; R46-F70 HydrophobicContact CB-CZ 3.93Å; R46-F70 HydrophobicContact CG-CZ 4.42Å; R46-D487 IonicContact CZ-OD1 3.94Å; R46-D487 IonicContact NH1-OD1 3.71Å; R46-D487 PolarHBondContact NH1-OD1 3.3Å; R46-V488 PolarHBondContact NH1-O 3.47Å; R46-F490 PolarHBondContact NH2-O 3.24Å
47	P	76.4	Confident	68.2	Low	19 Å²	19	58.7 Å²	58.7	12%	0.123	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.8	148.1	175.5	28.2	-32.8	0	0	0	111.2	M49 N485 D487	P47-M49 HydrophobicContact CB-SD 4.09Å; P47-M49 HydrophobicContact CG-SD 3.97Å; P47-M49 PolarHBondContact O-N 3Å; P47-N485 HydrophobicContact CB-CB 4.21Å; P47-D487 HydrophobicContact CG-CB 4.3Å
48	V	78.3	Confident	71	Confident	78 Å²	78	55.1 Å²	55.1	47%	0.473	31%	0.309	S	S	.	.			trans	-83.2	99.3	173.8	-179.9	0	0	0	0	108.9
49	M	83.2	Confident	73.4	Confident	19 Å²	19	58.7 Å²	58.7	9%	0.094	33%	0.327	C	S	.	.			trans	-82.9	161	-179.6	-56.8	-53.6	-75.6	0	0	113	P47 H186 S443 N485 D487	P47-M49 HydrophobicContact CB-SD 4.09Å; P47-M49 HydrophobicContact CG-SD 3.97Å; P47-M49 PolarHBondContact O-N 3Å; M49-H186 PolarHBondContact O-CD2 3.44Å; M49-H186 PolarHBondContact O-NE2 2.93Å; M49-S443 WeakPolarHBondContact CE-O 3.18Å; M49-N485 WeakPolarHBondContact CE-O 3.41Å; M49-D487 HydrophobicContact CG-CB 3.56Å; M49-D487 HydrophobicContact SD-CB 4.45Å
50	G	84	Confident	75.8	Confident	15 Å²	15	55.5 Å²	55.5	16%	0.155	31%	0.307	C	S	.	.			trans	80.5	30.3	167.4	0	0	0	0	0	115.2	H186 S362 Q363	G50-H186 PolarHBondContact O-NE2 3.29Å; G50-S362 WeakPolarHBondContact O-CA 3.38Å; G50-S362 VanDerWaalsContact O-CB 3.28Å; G50-S362 WeakPolarHBondContact O-CB 3.44Å; G50-Q363 WeakPolarHBondContact O-CB 3.49Å; G50-Q363 PolarHBondContact O-N 2.71Å
51	Q	89	Confident	78	Confident	98 Å²	98	52.9 Å²	52.9	46%	0.458	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72.1	148.5	166	-62.8	-174	16.1	0	0	110	L61	Q51-L61 HydrophobicContact CB-CD1 4.28Å
52	C	88.9	Confident	79.6	Confident	10 Å²	10	57.1 Å²	57.1	7%	0.068	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.3	160.8	174.4	62.6	0	0	0	0	111.3	H54 F365	C52-H54 PolarHBondContact O-N 3.5Å; C52-F365 HydrophobicContact CB-CB 3.77Å; C52-F365 HydrophobicContact CB-CD1 3.74Å; C52-F365 HydrophobicContact CB-CG 4.05Å
53	C	90.8	Very high	80.7	Confident	27 Å²	27	59.2 Å²	59.2	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.4	128.5	-175	178.2	0	0	0	0	111.4	Q55 C56 T57 H436	C53-Q55 PolarHBondContact SG-N 3.46Å; C53-C56 HydrophobicContact CB-CB 4.17Å; C53-C56 PolarHBondContact SG-N 2.81Å; C53-T57 PolarHBondContact N-OG1 3.43Å; C53-T57 CarbonylContact O-C 3.59Å; C53-T57 WeakPolarHBondContact O-CA 3.41Å; C53-T57 PolarHBondContact O-N 3.05Å; C53-T57 PolarHBondContact O-OG1 3.36Å; C53-H436 VanDerWaalsContact CB-CE1 3.49Å; C53-H436 WeakPolarHBondContact CB-CE1 3.02Å; C53-H436 VanDerWaalsContact CB-NE2 3.28Å; C53-H436 WeakPolarHBondContact CB-NE2 3.21Å
54	H	88.8	Confident	81.3	Confident	135 Å²	135	61.4 Å²	61.4	63%	0.625	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-39.7	176.9	169.1	-91.2	0	0	0	112.5	C52 L61	C52-H54 PolarHBondContact O-N 3.5Å; H54-L61 HydrophobicContact CB-CD2 3.84Å
55	Q	89.6	Confident	81.3	Confident	96 Å²	96	61.6 Å²	61.6	45%	0.449	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-44.6	-176.9	-68.1	177.6	-10.1	0	0	112	C53 R375 C615	C53-Q55 PolarHBondContact SG-N 3.46Å; Q55-R375 WeakPolarHBondContact O-CD 3.42Å; Q55-C615 PolarHBondContact OE1-O 2.96Å
56	C	91.1	Very high	80.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-27.9	-174.6	-54.4	0	0	0	0	113.9	C53 M370 S373 C615	C53-C56 HydrophobicContact CB-CB 4.17Å; C53-C56 PolarHBondContact SG-N 2.81Å; C56-M370 HydrophobicContact CB-CG 4.22Å; C56-S373 PolarHBondContact O-OG 3.04Å; C56-C615 WeakPolarHBondContact SG-CB 3.48Å
57	T	92.3	Very high	79.5	Confident	1 Å²	1	59 Å²	59	1%	0.006	33%	0.33	C	S	.	.			trans	-137.2	58	-173.6	55.5	0	0	0	0	113.2	C53 N59 S60 L61 F365 E369 M370	C53-T57 PolarHBondContact N-OG1 3.43Å; C53-T57 CarbonylContact O-C 3.59Å; C53-T57 WeakPolarHBondContact O-CA 3.41Å; C53-T57 PolarHBondContact O-N 3.05Å; C53-T57 PolarHBondContact O-OG1 3.36Å; T57-N59 PolarHBondContact O-N 3.39Å; T57-S60 PolarHBondContact O-N 2.72Å; T57-L61 WeakPolarHBondContact O-CB 3.11Å; T57-L61 PolarHBondContact O-N 2.85Å; T57-F365 HydrophobicContact CG2-CB 4.1Å; T57-F365 HydrophobicContact CG2-CD2 3.74Å; T57-F365 HydrophobicContact CG2-CE2 4.49Å; T57-F365 HydrophobicContact CG2-CG 4.14Å; T57-E369 WeakPolarHBondContact CA-OE1 3.23Å; T57-M370 HydrophobicContact CG2-CB 3.82Å; T57-M370 HydrophobicContact CG2-CG 4.28Å; T57-M370 HydrophobicContact CG2-SD 4.39Å
58	P	90.1	Very high	78	Confident	47 Å²	47	66.6 Å²	66.6	31%	0.305	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-33.9	-176.6	27.3	-35.4	0	0	0	114	L61 S62 E369	P58-L61 PolarHBondContact O-N 3.38Å; P58-S62 WeakPolarHBondContact O-CB 3.48Å; P58-S62 PolarHBondContact O-N 3.4Å; P58-E369 VanDerWaalsContact CD-OE1 3.31Å; P58-E369 WeakPolarHBondContact CD-OE1 3.47Å
59	N	88.9	Confident	76.6	Confident	101 Å²	101	66.1 Å²	66.1	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-73.9	-40.9	179.5	-58.4	-37.8	0	0	0	111.3	T57 L61 S62 K63 E369	T57-N59 PolarHBondContact O-N 3.39Å; N59-L61 PolarHBondContact O-N 3.3Å; N59-S62 PolarHBondContact O-N 3.4Å; N59-S62 PolarHBondContact O-OG 3.48Å; N59-K63 WeakPolarHBondContact O-CG 3.33Å; N59-K63 PolarHBondContact O-N 2.94Å; N59-E369 WeakPolarHBondContact CA-OE1 3.17Å; N59-E369 VanDerWaalsContact CB-OE1 3.24Å; N59-E369 WeakPolarHBondContact CB-OE1 3.38Å; N59-E369 PolarHBondContact N-OE1 3.19Å
60	S	87.9	Confident	75.4	Confident	8 Å²	8	69.5 Å²	69.5	6%	0.056	38%	0.384	C	S	.	.	H	α-helix	trans	-63.6	-35	172.5	-67.5	0	0	0	0	111.6	T57 Q363 S366 E369	T57-S60 PolarHBondContact O-N 2.72Å; S60-Q363 PolarHBondContact O-NE2 3Å; S60-S366 PolarHBondContact OG-N 3.42Å; S60-E369 VanDerWaalsContact CB-OE2 3.31Å; S60-E369 WeakPolarHBondContact CB-OE2 3.28Å; S60-E369 PolarHBondContact N-OE1 3.18Å; S60-E369 PolarHBondContact N-OE2 3.06Å; S60-E369 PolarHBondContact OG-OE2 3.37Å
61	L	85.8	Confident	74.3	Confident	20 Å²	20	71.3 Å²	71.3	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-70.4	-40.1	175.9	-171.7	68.1	0	0	0	112.3	Q51 H54 T57 P58 N59 K63 K64	Q51-L61 HydrophobicContact CB-CD1 4.28Å; H54-L61 HydrophobicContact CB-CD2 3.84Å; T57-L61 WeakPolarHBondContact O-CB 3.11Å; T57-L61 PolarHBondContact O-N 2.85Å; P58-L61 PolarHBondContact O-N 3.38Å; N59-L61 PolarHBondContact O-N 3.3Å; L61-K63 PolarHBondContact O-N 3.15Å; L61-K64 WeakPolarHBondContact O-CG 3.16Å; L61-K64 PolarHBondContact O-N 3.37Å
62	S	79.4	Confident	73.7	Confident	90 Å²	90	67.6 Å²	67.6	63%	0.629	38%	0.377	S	S	*	.	H	α-helix	trans	-68.3	-23.2	-179	70.8	0	0	0	0	113.1	P58 N59 K64	P58-S62 WeakPolarHBondContact O-CB 3.48Å; P58-S62 PolarHBondContact O-N 3.4Å; N59-S62 PolarHBondContact O-N 3.4Å; N59-S62 PolarHBondContact O-OG 3.48Å; S62-K64 PolarHBondContact O-N 3.2Å
63	K	72.9	Confident	73.4	Confident	128 Å²	128	69 Å²	69	56%	0.557	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	9.6	171	-71.7	178	-178.1	-176.5	0	114.5	N59 L61 L65	N59-K63 WeakPolarHBondContact O-CG 3.33Å; N59-K63 PolarHBondContact O-N 2.94Å; L61-K63 PolarHBondContact O-N 3.15Å; K63-L65 PolarHBondContact O-N 3.26Å
64	K	61.6	Low	73.1	Confident	109 Å²	109	70.2 Å²	70.2	47%	0.474	38%	0.383	S	S	.	.			trans	-41.3	112.5	174.3	-94.7	169.2	-174.5	-174.3	0	110.1	L61 S62 G66	L61-K64 WeakPolarHBondContact O-CG 3.16Å; L61-K64 PolarHBondContact O-N 3.37Å; S62-K64 PolarHBondContact O-N 3.2Å; K64-G66 PolarHBondContact O-N 3.41Å
65	L	53.7	Low	73.1	Confident	70 Å²	70	64.9 Å²	64.9	37%	0.366	36%	0.359	S	S	.	.			trans	-59	123.1	160.5	-118	75.3	0	0	0	105.3	K63 Q67 P188 K192	K63-L65 PolarHBondContact O-N 3.26Å; L65-Q67 HydrophobicContact CB-CG 4.46Å; L65-Q67 PolarHBondContact O-N 2.99Å; L65-P188 HydrophobicContact CD2-CB 4.01Å; L65-K192 HydrophobicContact CD1-CD 3.55Å
66	G	47.5	Very low	73.1	Confident	84 Å²	84	60.6 Å²	60.6	87%	0.866	34%	0.339	S	S	*	.			trans	-64.1	62	-179.8	0	0	0	0	0	113.3	K64	K64-G66 PolarHBondContact O-N 3.41Å
67	Q	49.1	Very low	72.8	Confident	84 Å²	84	62.1 Å²	62.1	39%	0.393	35%	0.348	S	S	.	.			trans	-111.7	89.8	-177.9	-77	-176.8	-15.6	0	0	108.9	L65 S69	L65-Q67 HydrophobicContact CB-CG 4.46Å; L65-Q67 PolarHBondContact O-N 2.99Å; Q67-S69 PolarHBondContact O-N 3.46Å
68	N	45.7	Very low	72.4	Confident	178 Å²	178	63.4 Å²	63.4	95%	0.952	36%	0.356	S	S	*	.			trans	-79.9	12.6	166	-68.1	-16	0	0	0	112.1
69	S	48.3	Very low	72.1	Confident	69 Å²	69	61.7 Å²	61.7	48%	0.483	34%	0.344	S	S	.	.	S	Bend	trans	-102.8	116.6	-178.4	60.7	0	0	0	0	111.3	Q67 L71	Q67-S69 PolarHBondContact O-N 3.46Å; S69-L71 PolarHBondContact O-N 3.2Å; S69-L71 VanDerWaalsContact O-N 3.11Å
70	F	58.9	Low	71.6	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.39	34%	0.337	S	S	.	.			trans	-61.3	109.9	171.2	-164.7	-99.1	0	0	0	109.6	R46 G72 F73 N185	R46-F70 HydrophobicContact CB-CE2 3.85Å; R46-F70 HydrophobicContact CB-CZ 3.93Å; R46-F70 HydrophobicContact CG-CZ 4.42Å; F70-G72 PolarHBondContact O-N 3.07Å; F70-F73 HydrophobicContact CE1-CD2 4.31Å; F70-F73 AromaticContact CE1-CE2 3.88Å; F70-F73 HydrophobicContact CE1-CE2 3.88Å; F70-F73 HydrophobicContact CZ-CD2 4.47Å; F70-F73 AromaticContact CZ-CE2 3.65Å; F70-F73 HydrophobicContact CZ-CE2 3.65Å; F70-F73 HydrophobicContact CZ-CZ 4.03Å; F70-N185 WeakPolarHBondContact CE2-ND2 3.35Å
71	L	60	Low	71.2	Confident	54 Å²	54	61.1 Å²	61.1	28%	0.283	34%	0.34	S	S	.	.			trans	-77.8	-2.6	-176.1	-71.9	169.8	0	0	0	113	S69 R184 N185 P188	S69-L71 PolarHBondContact O-N 3.2Å; S69-L71 VanDerWaalsContact O-N 3.11Å; L71-R184 HydrophobicContact CB-CB 3.74Å; L71-R184 WeakPolarHBondContact CD1-O 3.39Å; L71-N185 PolarHBondContact N-OD1 3.42Å; L71-N185 VanDerWaalsContact N-OD1 3.11Å; L71-P188 HydrophobicContact CD1-CG 3.55Å
72	G	76.1	Confident	70.6	Confident	19 Å²	19	64.7 Å²	64.7	20%	0.196	36%	0.363	C	S	.	.			trans	72.4	-169.4	176.2	0	0	0	0	0	113.7	F70 R184	F70-G72 PolarHBondContact O-N 3.07Å; G72-R184 WeakPolarHBondContact O-CB 3.43Å; G72-R184 WeakPolarHBondContact O-CG 3.46Å; G72-R184 PolarHBondContact O-N 3.06Å
73	F	82.4	Confident	70.3	Confident	41 Å²	41	63.4 Å²	63.4	18%	0.18	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.3	-179.8	-60.8	-85.9	0	0	0	111	F70 V182 N183 M358	F70-F73 HydrophobicContact CE1-CD2 4.31Å; F70-F73 AromaticContact CE1-CE2 3.88Å; F70-F73 HydrophobicContact CE1-CE2 3.88Å; F70-F73 HydrophobicContact CZ-CD2 4.47Å; F70-F73 AromaticContact CZ-CE2 3.65Å; F70-F73 HydrophobicContact CZ-CE2 3.65Å; F70-F73 HydrophobicContact CZ-CZ 4.03Å; F73-V182 WeakPolarHBondContact CA-O 3.49Å; F73-N183 HydrophobicContact CD1-CB 4.12Å; F73-N183 HydrophobicContact CE1-CB 3.88Å; F73-M358 HydrophobicContact CD1-CE 4.2Å; F73-M358 HydrophobicContact CD1-SD 4.32Å; F73-M358 HydrophobicContact CE1-CE 4.05Å; F73-M358 HydrophobicContact CE1-CG 4.49Å; F73-M358 HydrophobicContact CE1-SD 3.75Å; F73-M358 HydrophobicContact CZ-CE 4.45Å; F73-M358 HydrophobicContact CZ-SD 4.3Å
74	R	84.5	Confident	70.6	Confident	52 Å²	52	58 Å²	58	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123	170.9	-173.5	177.7	-174.9	-161.4	-3.7	110.4	L76 Y99 Q181 V182 R184 C221	R74-L76 PolarHBondContact O-N 3.37Å; R74-Y99 VanDerWaalsContact CZ-OH 3.24Å; R74-Y99 PolarHBondContact NH1-OH 3.46Å; R74-Y99 VanDerWaalsContact NH2-CE2 3.27Å; R74-Y99 VanDerWaalsContact NH2-CZ 3.28Å; R74-Y99 PolarHBondContact NH2-OH 2.66Å; R74-Q181 WeakPolarHBondContact O-CA 3.49Å; R74-V182 PolarHBondContact N-O 2.77Å; R74-V182 PolarHBondContact O-N 3.3Å; R74-R184 HydrophobicContact CB-CG 4.48Å; R74-C221 PolarHBondContact NH1-O 3.39Å
75	N	89.4	Confident	71.4	Confident	23 Å²	23	64.3 Å²	64.3	12%	0.123	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.5	170.7	179.8	2.5	0	0	0	110.4	L77 S78 S179 I180	N75-L77 VanDerWaalsContact C-N 3.27Å; N75-L77 PolarHBondContact O-N 3.26Å; N75-L77 PolarHBondContact OD1-N 2.98Å; N75-S78 WeakPolarHBondContact CB-OG 3.36Å; N75-S78 PolarHBondContact O-N 3.22Å; N75-S78 VanDerWaalsContact O-N 3.17Å; N75-S78 PolarHBondContact O-OG 3.41Å; N75-S179 WeakPolarHBondContact ND2-CB 3.37Å; N75-I180 CarbonylContact C-O 3.59Å; N75-I180 WeakPolarHBondContact CA-O 3.26Å; N75-I180 PolarHBondContact OD1-N 3.4Å; N75-I180 PolarHBondContact OD1-O 3.45Å
76	L	88.6	Confident	72.6	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.5	-178.7	-59.4	-174.3	0	0	0	113	R74 S78 I79 L170 I180 V182 A218 C221	R74-L76 PolarHBondContact O-N 3.37Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.9Å; L76-I79 WeakPolarHBondContact O-CG1 3.36Å; L76-L170 HydrophobicContact CB-CD2 4.43Å; L76-I180 HydrophobicContact CB-CB 4.34Å; L76-I180 HydrophobicContact CB-CG2 4.42Å; L76-I180 HydrophobicContact CD1-CG2 3.83Å; L76-I180 HydrophobicContact CG-CG2 4.18Å; L76-I180 PolarHBondContact N-O 2.81Å; L76-V182 HydrophobicContact CD1-CG2 3.75Å; L76-V182 HydrophobicContact CD2-CG2 3.88Å; L76-V182 HydrophobicContact CG-CG2 3.77Å; L76-A218 HydrophobicContact CD1-CB 4.02Å; L76-C221 HydrophobicContact CD2-CB 3.67Å
77	L	86.4	Confident	74.4	Confident	33 Å²	33	71.1 Å²	71.1	17%	0.173	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.3	179.3	-57.4	-179.6	0	0	0	112.2	N75 I79 L170 F173 A174 F177 I180	N75-L77 VanDerWaalsContact C-N 3.27Å; N75-L77 PolarHBondContact O-N 3.26Å; N75-L77 PolarHBondContact OD1-N 2.98Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.28Å; L77-L170 HydrophobicContact CD2-CD2 4.27Å; L77-F173 HydrophobicContact CD2-CB 4.01Å; L77-A174 HydrophobicContact CD2-CB 4.22Å; L77-F177 HydrophobicContact CD1-CB 4.33Å; L77-F177 WeakPolarHBondContact CD1-O 3.42Å; L77-I180 HydrophobicContact CD1-CD1 4.25Å; L77-I180 HydrophobicContact CD1-CG1 4.01Å; L77-I180 HydrophobicContact CD2-CD1 4.05Å; L77-I180 HydrophobicContact CG-CB 4.32Å; L77-I180 HydrophobicContact CG-CD1 4.17Å; L77-I180 HydrophobicContact CG-CG1 4.13Å
78	S	84.1	Confident	76.1	Confident	27 Å²	27	68.6 Å²	68.6	19%	0.189	34%	0.337	C	S	.	.			trans	-86.7	62.3	-179.5	70.9	0	0	0	0	112.4	N75 L76 N80 Q83	N75-S78 WeakPolarHBondContact CB-OG 3.36Å; N75-S78 PolarHBondContact O-N 3.22Å; N75-S78 VanDerWaalsContact O-N 3.17Å; N75-S78 PolarHBondContact O-OG 3.41Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.9Å; S78-N80 PolarHBondContact O-N 2.92Å; S78-Q83 PolarHBondContact O-NE2 2.96Å
79	I	82.3	Confident	78	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.056	32%	0.321	C	S	.	.			trans	-87.6	113.7	178.5	-56.8	172.5	0	0	0	109.6	L76 L77 C95 C96 Y99 L170	L76-I79 WeakPolarHBondContact O-CG1 3.36Å; L77-I79 VanDerWaalsContact C-N 3.29Å; L77-I79 PolarHBondContact O-N 3.28Å; I79-C95 HydrophobicContact CG2-CB 4.26Å; I79-C95 PolarHBondContact O-SG 2.78Å; I79-C96 HydrophobicContact CD1-CB 4.43Å; I79-Y99 HydrophobicContact CD1-CD1 3.77Å; I79-Y99 HydrophobicContact CD1-CE1 4.34Å; I79-Y99 HydrophobicContact CD1-CG 4.31Å; I79-Y99 HydrophobicContact CG1-CD1 4.35Å; I79-Y99 HydrophobicContact CG2-CD1 4.48Å; I79-Y99 HydrophobicContact CG2-CD2 4.44Å; I79-Y99 HydrophobicContact CG2-CG 3.96Å; I79-L170 HydrophobicContact CD1-CD1 3.7Å; I79-L170 HydrophobicContact CD1-CD2 4.3Å
80	N	79.7	Confident	79.5	Confident	71 Å²	71	70 Å²	70	38%	0.38	33%	0.327	S	S	.	.			trans	-116.7	164.9	176.9	-65.3	-23.6	0	0	0	110.5	R35 S78 T82 Q83	R35-N80 PolarHBondContact NH1-OD1 3.49Å; S78-N80 PolarHBondContact O-N 2.92Å; N80-T82 PolarHBondContact O-N 2.82Å; N80-T82 VanDerWaalsContact O-N 3.09Å; N80-Q83 PolarHBondContact O-N 3.34Å
81	E	78.7	Confident	80.5	Confident	26 Å²	26	66.4 Å²	66.4	12%	0.121	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-52.4	-30.3	176.6	-171.6	-173.1	157.3	0	0	113.3	Q83 T84 R87 G88 V91 R92	E81-Q83 PolarHBondContact O-N 2.68Å; E81-T84 PolarHBondContact O-N 3.28Å; E81-T84 VanDerWaalsContact O-N 3.08Å; E81-T84 PolarHBondContact O-OG1 3.44Å; E81-R87 WeakPolarHBondContact OE1-CA 3.44Å; E81-R87 VanDerWaalsContact OE1-CB 3.29Å; E81-R87 WeakPolarHBondContact OE1-CB 3.28Å; E81-R87 WeakPolarHBondContact OE1-CD 3.38Å; E81-G88 PolarHBondContact OE1-N 3.49Å; E81-V91 HydrophobicContact CG-CB 4.33Å; E81-V91 HydrophobicContact CG-CG1 3.81Å; E81-R92 HydrophobicContact CB-CG 4.37Å; E81-R92 WeakPolarHBondContact OE2-CG 3.47Å; E81-R92 IonicContact OE2-CZ 3.64Å; E81-R92 IonicContact OE2-NE 2.79Å; E81-R92 PolarHBondContact OE2-NE 3.02Å; E81-R92 IonicContact OE2-NH2 3.6Å
82	T	73.5	Confident	81.5	Confident	95 Å²	95	71.6 Å²	71.6	58%	0.583	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.9	177.7	53.1	0	0	0	0	114.5	N80 T84	N80-T82 PolarHBondContact O-N 2.82Å; N80-T82 VanDerWaalsContact O-N 3.09Å; T82-T84 VanDerWaalsContact C-N 3.31Å
83	Q	73.5	Confident	81.8	Confident	64 Å²	64	79 Å²	79	30%	0.299	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-88.3	-5.3	177.8	-61.5	178.8	-1.6	0	0	112	S78 N80 E81 Y99	S78-Q83 PolarHBondContact O-NE2 2.96Å; N80-Q83 PolarHBondContact O-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.68Å; Q83-Y99 HydrophobicContact CB-CD2 4.02Å; Q83-Y99 HydrophobicContact CB-CE2 4.18Å
84	T	78.4	Confident	81.9	Confident	14 Å²	14	79.8 Å²	79.8	9%	0.086	36%	0.358	C	S	.	.	S	Bend	trans	-107.8	153.3	177.1	63	0	0	0	0	110.6	E81 T82 Y86 V91 L98	E81-T84 PolarHBondContact O-N 3.28Å; E81-T84 VanDerWaalsContact O-N 3.08Å; E81-T84 PolarHBondContact O-OG1 3.44Å; T82-T84 VanDerWaalsContact C-N 3.31Å; T84-Y86 PolarHBondContact O-N 2.99Å; T84-Y86 PolarHBondContact OG1-O 3.27Å; T84-V91 WeakPolarHBondContact OG1-CG1 3.32Å; T84-L98 HydrophobicContact CG2-CB 4.02Å
85	R	78.6	Confident	81.9	Confident	242 Å²	242	78 Å²	78	91%	0.913	35%	0.353	S	S	*	.	S	Bend	trans	-70.4	-15.6	175.9	-64.3	-176.4	-176.5	-179.2	0.3	113.3
86	Y	80	Confident	81.7	Confident	141 Å²	141	77.7 Å²	77.7	55%	0.553	35%	0.353	S	S	*	.			trans	-99.2	154.3	-174.8	-55.8	-72	0	0	0	111	T84 L98	T84-Y86 PolarHBondContact O-N 2.99Å; T84-Y86 PolarHBondContact OG1-O 3.27Å; Y86-L98 HydrophobicContact CD2-CD1 4.2Å; Y86-L98 HydrophobicContact CD2-CD2 4.08Å; Y86-L98 HydrophobicContact CE2-CD2 4.2Å
87	R	84.3	Confident	81.6	Confident	155 Å²	155	80.8 Å²	80.8	59%	0.585	37%	0.372	S	S	*	.			trans	-129	151.1	176	-60.5	-63.7	-178.3	164.4	0.8	111.3	E81	E81-R87 WeakPolarHBondContact OE1-CA 3.44Å; E81-R87 VanDerWaalsContact OE1-CB 3.29Å; E81-R87 WeakPolarHBondContact OE1-CB 3.28Å; E81-R87 WeakPolarHBondContact OE1-CD 3.38Å
88	G	85.6	Confident	81.6	Confident	31 Å²	31	81.1 Å²	81.1	32%	0.32	37%	0.374	S	S	.	.	S	Bend	trans	127.2	174.5	174.9	0	0	0	0	0	115.5	E81 L90 V91 R92	E81-G88 PolarHBondContact OE1-N 3.49Å; G88-L90 PolarHBondContact O-N 3.28Å; G88-V91 WeakPolarHBondContact O-CB 3.46Å; G88-V91 PolarHBondContact O-N 3.01Å; G88-R92 PolarHBondContact O-N 3.07Å
89	W	83.9	Confident	81.8	Confident	158 Å²	158	81 Å²	81	60%	0.598	37%	0.369	S	S	*	.	H	α-helix	trans	-62.2	-43.2	-174.9	178.2	90.6	0	0	0	113.5	V91 R92 R93	W89-V91 VanDerWaalsContact C-N 3.31Å; W89-V91 PolarHBondContact O-N 3.19Å; W89-R92 WeakPolarHBondContact O-CB 3.44Å; W89-R92 PolarHBondContact O-N 3.35Å; W89-R93 VanDerWaalsContact CZ2-NE 3.33Å
90	L	81	Confident	82	Confident	118 Å²	118	80.6 Å²	80.6	62%	0.618	37%	0.367	S	S	*	.	H	α-helix	trans	-62.2	-42.7	178.1	-160.2	93.8	0	0	0	110.6	G88 R92 R93 V94	G88-L90 PolarHBondContact O-N 3.28Å; L90-R92 PolarHBondContact O-N 2.73Å; L90-R93 PolarHBondContact O-N 2.99Å; L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.33Å; L90-V94 VanDerWaalsContact O-N 3.08Å
91	V	80.7	Confident	82.4	Confident	14 Å²	14	80.1 Å²	80.1	9%	0.085	37%	0.37	C	S	.	.	H	α-helix	trans	-58.2	-37	178.7	-178.2	0	0	0	0	111.2	E81 T84 G88 W89 R93 V94 C95 L98	E81-V91 HydrophobicContact CG-CB 4.33Å; E81-V91 HydrophobicContact CG-CG1 3.81Å; T84-V91 WeakPolarHBondContact OG1-CG1 3.32Å; G88-V91 WeakPolarHBondContact O-CB 3.46Å; G88-V91 PolarHBondContact O-N 3.01Å; W89-V91 VanDerWaalsContact C-N 3.31Å; W89-V91 PolarHBondContact O-N 3.19Å; V91-R93 VanDerWaalsContact C-N 3.25Å; V91-R93 PolarHBondContact O-N 2.8Å; V91-V94 CarbonylContact O-C 3.52Å; V91-V94 PolarHBondContact O-N 3.45Å; V91-C95 WeakPolarHBondContact O-CA 3.39Å; V91-C95 VanDerWaalsContact O-CB 3.23Å; V91-C95 WeakPolarHBondContact O-CB 3.4Å; V91-C95 PolarHBondContact O-N 3.5Å; V91-L98 HydrophobicContact CB-CD1 4.16Å; V91-L98 HydrophobicContact CG1-CD1 3.72Å; V91-L98 HydrophobicContact CG2-CD1 4.12Å
92	R	80.8	Confident	82.6	Confident	163 Å²	163	81.8 Å²	81.8	62%	0.615	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-29.3	176.1	-65.6	177.8	-173	167.9	3.6	113.4	E81 G88 W89 L90	E81-R92 HydrophobicContact CB-CG 4.37Å; E81-R92 WeakPolarHBondContact OE2-CG 3.47Å; E81-R92 IonicContact OE2-CZ 3.64Å; E81-R92 IonicContact OE2-NE 2.79Å; E81-R92 PolarHBondContact OE2-NE 3.02Å; E81-R92 IonicContact OE2-NH2 3.6Å; G88-R92 PolarHBondContact O-N 3.07Å; W89-R92 WeakPolarHBondContact O-CB 3.44Å; W89-R92 PolarHBondContact O-N 3.35Å; L90-R92 PolarHBondContact O-N 2.73Å
93	R	81.3	Confident	83.2	Confident	176 Å²	176	77.6 Å²	77.6	66%	0.664	37%	0.368	S	S	*	.	H	α-helix	trans	-85	-34.2	178.6	-69.1	-171.5	170.8	-163.5	-2	112.7	W89 L90 V91	W89-R93 VanDerWaalsContact CZ2-NE 3.33Å; L90-R93 PolarHBondContact O-N 2.99Å; V91-R93 VanDerWaalsContact C-N 3.25Å; V91-R93 PolarHBondContact O-N 2.8Å
94	V	84.8	Confident	83.8	Confident	56 Å²	56	80.8 Å²	80.8	34%	0.339	38%	0.381	S	S	.	.	H	α-helix	trans	-105.1	18	179.4	-64.9	0	0	0	0	113.8	L90 V91 C96 V97 L98	L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.33Å; L90-V94 VanDerWaalsContact O-N 3.08Å; V91-V94 CarbonylContact O-C 3.52Å; V91-V94 PolarHBondContact O-N 3.45Å; V94-C96 VanDerWaalsContact C-N 3.28Å; V94-C96 PolarHBondContact O-N 3.29Å; V94-V97 PolarHBondContact O-N 3.45Å; V94-L98 HydrophobicContact CG2-CD1 3.67Å; V94-L98 HydrophobicContact CG2-CG 4Å; V94-L98 PolarHBondContact O-N 3.07Å
95	C	84.7	Confident	84	Confident	14 Å²	14	81.3 Å²	81.3	10%	0.095	38%	0.384	C	S	.	.	H	α-helix	trans	-56.7	-40.3	-173.7	59.5	0	0	0	0	112.6	I79 V91 V97 L98 Y99	I79-C95 HydrophobicContact CG2-CB 4.26Å; I79-C95 PolarHBondContact O-SG 2.78Å; V91-C95 WeakPolarHBondContact O-CA 3.39Å; V91-C95 VanDerWaalsContact O-CB 3.23Å; V91-C95 WeakPolarHBondContact O-CB 3.4Å; V91-C95 PolarHBondContact O-N 3.5Å; C95-V97 PolarHBondContact O-N 3.28Å; C95-L98 PolarHBondContact O-N 3.35Å; C95-Y99 WeakPolarHBondContact O-CB 3.37Å; C95-Y99 PolarHBondContact O-N 3.04Å
96	C	84.1	Confident	84.2	Confident	18 Å²	18	73.8 Å²	73.8	12%	0.122	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-43	177.2	-58.2	0	0	0	0	111.9	I79 V94 V100	I79-C96 HydrophobicContact CD1-CB 4.43Å; V94-C96 VanDerWaalsContact C-N 3.28Å; V94-C96 PolarHBondContact O-N 3.29Å; C96-V100 WeakPolarHBondContact O-CG2 3.39Å; C96-V100 PolarHBondContact O-N 3.35Å
97	V	87.4	Confident	83.9	Confident	69 Å²	69	68.9 Å²	68.9	42%	0.418	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-48.6	179.3	179.6	0	0	0	0	109.6	V94 C95 Y99 V100 S101 W167	V94-V97 PolarHBondContact O-N 3.45Å; C95-V97 PolarHBondContact O-N 3.28Å; V97-Y99 VanDerWaalsContact C-N 3.31Å; V97-Y99 PolarHBondContact O-N 3.06Å; V97-V100 PolarHBondContact O-N 3.36Å; V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.25Å; V97-S101 PolarHBondContact O-N 3.12Å; V97-S101 PolarHBondContact O-OG 3.36Å; V97-W167 VanDerWaalsContact CG2-CD1 3.48Å; V97-W167 HydrophobicContact CG2-CD2 4.45Å; V97-W167 HydrophobicContact CG2-CG 4.21Å
98	L	86.1	Confident	83.4	Confident	41 Å²	41	62.2 Å²	62.2	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-40.5	179.3	-68.8	174.3	0	0	0	111.7	T84 Y86 V91 V94 C95 S101 G102	T84-L98 HydrophobicContact CG2-CB 4.02Å; Y86-L98 HydrophobicContact CD2-CD1 4.2Å; Y86-L98 HydrophobicContact CD2-CD2 4.08Å; Y86-L98 HydrophobicContact CE2-CD2 4.2Å; V91-L98 HydrophobicContact CB-CD1 4.16Å; V91-L98 HydrophobicContact CG1-CD1 3.72Å; V91-L98 HydrophobicContact CG2-CD1 4.12Å; V94-L98 HydrophobicContact CG2-CD1 3.67Å; V94-L98 HydrophobicContact CG2-CG 4Å; V94-L98 PolarHBondContact O-N 3.07Å; C95-L98 PolarHBondContact O-N 3.35Å; L98-S101 WeakPolarHBondContact CA-OG 3.49Å; L98-S101 PolarHBondContact O-N 2.88Å; L98-S101 PolarHBondContact O-OG 3.38Å; L98-G102 PolarHBondContact O-N 2.83Å
99	Y	87.9	Confident	82.4	Confident	24 Å²	24	64.2 Å²	64.2	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-54.3	176.6	178.1	-100.5	0	0	0	111.8	R74 I79 Q83 C95 V97 S101 G102 C103 C221	R74-Y99 VanDerWaalsContact CZ-OH 3.24Å; R74-Y99 PolarHBondContact NH1-OH 3.46Å; R74-Y99 VanDerWaalsContact NH2-CE2 3.27Å; R74-Y99 VanDerWaalsContact NH2-CZ 3.28Å; R74-Y99 PolarHBondContact NH2-OH 2.66Å; I79-Y99 HydrophobicContact CD1-CD1 3.77Å; I79-Y99 HydrophobicContact CD1-CE1 4.34Å; I79-Y99 HydrophobicContact CD1-CG 4.31Å; I79-Y99 HydrophobicContact CG1-CD1 4.35Å; I79-Y99 HydrophobicContact CG2-CD1 4.48Å; I79-Y99 HydrophobicContact CG2-CD2 4.44Å; I79-Y99 HydrophobicContact CG2-CG 3.96Å; Q83-Y99 HydrophobicContact CB-CD2 4.02Å; Q83-Y99 HydrophobicContact CB-CE2 4.18Å; C95-Y99 WeakPolarHBondContact O-CB 3.37Å; C95-Y99 PolarHBondContact O-N 3.04Å; V97-Y99 VanDerWaalsContact C-N 3.31Å; V97-Y99 PolarHBondContact O-N 3.06Å; Y99-S101 VanDerWaalsContact C-N 3.3Å; Y99-S101 PolarHBondContact O-N 2.97Å; Y99-G102 WeakPolarHBondContact O-CA 3.49Å; Y99-G102 PolarHBondContact O-N 2.86Å; Y99-C103 PolarHBondContact O-N 3.39Å; Y99-C221 HydrophobicContact CE1-CB 4.38Å; Y99-C221 PolarHBondContact OH-O 2.84Å
100	V	88.2	Confident	81.1	Confident	2 Å²	2	60 Å²	60	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-33.9	-179.4	179.4	0	0	0	0	111.6	C96 V97 G102 C103 R163 W167 L170 L220	C96-V100 WeakPolarHBondContact O-CG2 3.39Å; C96-V100 PolarHBondContact O-N 3.35Å; V97-V100 PolarHBondContact O-N 3.36Å; V100-G102 PolarHBondContact O-N 2.77Å; V100-C103 WeakPolarHBondContact O-CB 3.2Å; V100-C103 PolarHBondContact O-N 3.44Å; V100-R163 HydrophobicContact CG1-CB 3.91Å; V100-R163 HydrophobicContact CG1-CG 4.15Å; V100-R163 WeakPolarHBondContact CG1-O 3.25Å; V100-W167 HydrophobicContact CG2-CB 4.37Å; V100-L170 HydrophobicContact CG2-CD1 3.6Å; V100-L220 HydrophobicContact CG1-CD2 4.38Å
101	S	86.3	Confident	80.1	Confident	62 Å²	62	58.5 Å²	58.5	43%	0.434	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-32.9	173	76.7	0	0	0	0	112.5	V97 L98 Y99	V97-S101 VanDerWaalsContact O-CB 3.28Å; V97-S101 WeakPolarHBondContact O-CB 3.25Å; V97-S101 PolarHBondContact O-N 3.12Å; V97-S101 PolarHBondContact O-OG 3.36Å; L98-S101 WeakPolarHBondContact CA-OG 3.49Å; L98-S101 PolarHBondContact O-N 2.88Å; L98-S101 PolarHBondContact O-OG 3.38Å; Y99-S101 VanDerWaalsContact C-N 3.3Å; Y99-S101 PolarHBondContact O-N 2.97Å
102	G	83.4	Confident	79.7	Confident	60 Å²	60	62.5 Å²	62.5	62%	0.619	35%	0.345	S	S	*	.	H	α-helix	trans	-80.8	-11.8	176.8	0	0	0	0	0	114.7	L98 Y99 V100	L98-G102 PolarHBondContact O-N 2.83Å; Y99-G102 WeakPolarHBondContact O-CA 3.49Å; Y99-G102 PolarHBondContact O-N 2.86Å; V100-G102 PolarHBondContact O-N 2.77Å
103	C	86.3	Confident	79.9	Confident	7 Å²	7	55 Å²	55	5%	0.047	32%	0.317	C	S	.	.	S	Bend	trans	-65.4	137.4	175.3	-74.2	0	0	0	0	110.9	Y99 V100 V105 R163 L220	Y99-C103 PolarHBondContact O-N 3.39Å; V100-C103 WeakPolarHBondContact O-CB 3.2Å; V100-C103 PolarHBondContact O-N 3.44Å; C103-V105 PolarHBondContact O-N 3.25Å; C103-R163 PolarHBondContact O-NH2 2.99Å; C103-L220 HydrophobicContact CB-CD1 3.81Å; C103-L220 HydrophobicContact CB-CG 3.99Å; C103-L220 PolarHBondContact SG-O 2.81Å
104	K	86.2	Confident	80	Confident	132 Å²	132	48.8 Å²	48.8	57%	0.574	30%	0.297	S	S	*	.			trans	-70.1	124.6	172.2	-67.4	-175.6	179.9	-178.7	0	108.6	Y106	K104-Y106 HydrophobicContact CB-CE2 4.33Å
105	V	82.9	Confident	79.9	Confident	24 Å²	24	51.8 Å²	51.8	15%	0.145	31%	0.307	C	S	.	.			trans	-121.3	128.9	174.6	-179	0	0	0	0	107.9	C103 I157 P159 I162 R163 L220	C103-V105 PolarHBondContact O-N 3.25Å; V105-I157 HydrophobicContact CG1-CG2 4.46Å; V105-P159 HydrophobicContact CB-CB 4.27Å; V105-P159 HydrophobicContact CG1-CB 3.9Å; V105-P159 HydrophobicContact CG1-CG 4.29Å; V105-I162 HydrophobicContact CB-CG2 4.43Å; V105-I162 HydrophobicContact CG1-CG2 3.58Å; V105-I162 HydrophobicContact CG2-CG2 3.98Å; V105-R163 HydrophobicContact CG2-CG 3.97Å; V105-L220 HydrophobicContact CG2-CD1 3.71Å
106	Y	81.9	Confident	80	Confident	85 Å²	85	54.9 Å²	54.9	33%	0.333	32%	0.316	S	S	.	.			trans	-95.7	107.9	175	-59.5	-92.8	0	0	0	106.5	K104 R225	K104-Y106 HydrophobicContact CB-CE2 4.33Å; Y106-R225 HydrophobicContact CD1-CG 4.38Å; Y106-R225 HydrophobicContact CD2-CB 4.29Å; Y106-R225 HydrophobicContact CD2-CG 3.5Å; Y106-R225 HydrophobicContact CE2-CG 3.87Å; Y106-R225 HydrophobicContact CG-CG 3.78Å
107	G	74.4	Confident	80.1	Confident	38 Å²	38	54 Å²	54	39%	0.392	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-68.3	147.2	175.9	0	0	0	0	0	110.3
108	S	73.8	Confident	79.9	Confident	15 Å²	15	52.7 Å²	52.7	11%	0.105	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-84.6	133.6	170.5	-166.8	0	0	0	0	110.4	V110 R113 I157 Y228	S108-V110 PolarHBondContact O-N 3.25Å; S108-R113 PolarHBondContact OG-NH2 2.69Å; S108-I157 PolarHBondContact N-O 3.02Å; S108-Y228 WeakPolarHBondContact CB-OH 3.24Å; S108-Y228 PolarHBondContact OG-OH 3.05Å
109	P	64.3	Low	79.9	Confident	72 Å²	72	56.2 Å²	56.2	47%	0.468	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-66.1	120	163.7	28.1	-29.5	0	0	0	107.7
110	V	57.3	Low	79.9	Confident	70 Å²	70	56 Å²	56	42%	0.424	32%	0.321	S	S	.	.			trans	-88.3	-26.3	178.4	-175.1	0	0	0	0	110.7	S108 D112 C156	S108-V110 PolarHBondContact O-N 3.25Å; V110-D112 PolarHBondContact O-N 3Å; V110-C156 HydrophobicContact CG2-CB 3.38Å
111	S	59.7	Low	79.7	Confident	87 Å²	87	61.3 Å²	61.3	61%	0.608	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	133.2	-175.4	-50.3	0	0	0	0	111.2	R113	S111-R113 VanDerWaalsContact C-N 3.29Å; S111-R113 PolarHBondContact O-N 2.9Å
112	D	72.4	Confident	79.6	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-5.7	170.4	-38.8	-22	0	0	0	116.6	V110 L114 E115 R116	V110-D112 PolarHBondContact O-N 3Å; D112-L114 PolarHBondContact O-N 3.3Å; D112-E115 PolarHBondContact O-N 3.02Å; D112-R116 VanDerWaalsContact C-NH1 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3Å; D112-R116 PolarHBondContact O-N 3.48Å; D112-R116 PolarHBondContact O-NH1 3.05Å
113	R	85.1	Confident	79.7	Confident	4 Å²	4	59 Å²	59	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-42.5	178.4	-167.9	-171	-64.6	152.2	-1.1	112.2	S108 S111 E115 R116 V117 T155 Y228 E278 E282	S108-R113 PolarHBondContact OG-NH2 2.69Å; S111-R113 VanDerWaalsContact C-N 3.29Å; S111-R113 PolarHBondContact O-N 2.9Å; R113-E115 VanDerWaalsContact C-N 3.3Å; R113-E115 PolarHBondContact O-N 3.19Å; R113-R116 PolarHBondContact O-N 2.9Å; R113-V117 HydrophobicContact CG-CG2 4.26Å; R113-V117 WeakPolarHBondContact O-CG2 3.16Å; R113-V117 PolarHBondContact O-N 2.95Å; R113-T155 PolarHBondContact NH1-O 3.36Å; R113-Y228 PolarHBondContact NH2-OH 2.92Å; R113-E278 HydrophobicContact CG-CB 4.24Å; R113-E282 IonicContact CZ-OE1 3.48Å; R113-E282 IonicContact CZ-OE2 3.76Å; R113-E282 IonicContact NE-OE1 2.82Å; R113-E282 PolarHBondContact NE-OE1 3.2Å; R113-E282 IonicContact NE-OE2 3.94Å; R113-E282 IonicContact NH2-OE1 3.46Å; R113-E282 IonicContact NH2-OE2 2.72Å; R113-E282 PolarHBondContact NH2-OE2 3.36Å
114	L	83.1	Confident	79.7	Confident	47 Å²	47	63.7 Å²	63.7	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-46.1	177	179.7	64.3	0	0	0	111.2	D112 V117 C118 L150 I153	D112-L114 PolarHBondContact O-N 3.3Å; L114-V117 PolarHBondContact O-N 3.01Å; L114-C118 WeakPolarHBondContact O-CB 3.25Å; L114-C118 PolarHBondContact O-N 3.21Å; L114-C118 PolarHBondContact O-SG 3.16Å; L114-L150 HydrophobicContact CD1-CD1 4.2Å; L114-L150 HydrophobicContact CD1-CG 4.06Å; L114-L150 HydrophobicContact CD2-CD1 4.11Å; L114-L150 HydrophobicContact CD2-CD2 4.47Å; L114-L150 HydrophobicContact CD2-CG 4.19Å; L114-I153 HydrophobicContact CB-CG2 4.18Å; L114-I153 HydrophobicContact CD1-CB 4.01Å; L114-I153 HydrophobicContact CD1-CD1 3.85Å; L114-I153 HydrophobicContact CD1-CG2 3.71Å
115	E	83.3	Confident	79.6	Confident	118 Å²	118	63.7 Å²	63.7	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-63.9	-45.9	178.4	-64	-177.9	-174.8	0	0	111.5	D112 R113 V117 C118 Q119	D112-E115 PolarHBondContact O-N 3.02Å; R113-E115 VanDerWaalsContact C-N 3.3Å; R113-E115 PolarHBondContact O-N 3.19Å; E115-V117 PolarHBondContact O-N 3.33Å; E115-C118 PolarHBondContact O-N 3.38Å; E115-Q119 VanDerWaalsContact O-CB 3.28Å; E115-Q119 WeakPolarHBondContact O-CB 3.26Å; E115-Q119 WeakPolarHBondContact O-CG 3.31Å; E115-Q119 PolarHBondContact O-N 3.43Å
116	R	86.5	Confident	79.6	Confident	79 Å²	79	63.3 Å²	63.3	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-42.1	177.7	-69.7	-167.9	-55.4	-84.8	3.1	112.7	D112 R113 Q119 S120 E278 E282	D112-R116 VanDerWaalsContact C-NH1 3.33Å; D112-R116 WeakPolarHBondContact O-CG 3Å; D112-R116 PolarHBondContact O-N 3.48Å; D112-R116 PolarHBondContact O-NH1 3.05Å; R113-R116 PolarHBondContact O-N 2.9Å; R116-Q119 PolarHBondContact O-N 3.41Å; R116-S120 PolarHBondContact O-N 3.32Å; R116-E278 WeakPolarHBondContact CD-OE2 3.46Å; R116-E278 IonicContact CZ-OE2 3.44Å; R116-E278 IonicContact NE-OE2 2.63Å; R116-E278 PolarHBondContact NE-OE2 3.28Å; R116-E278 IonicContact NH2-OE2 3.2Å; R116-E282 IonicContact NH2-OE1 3.89Å; R116-E282 PolarHBondContact NH2-OE1 2.92Å
117	V	86	Confident	79.7	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-45.9	176.9	171.3	0	0	0	0	110.7	R113 L114 E115 Q119 S120 V123 I153 V271 E278	R113-V117 HydrophobicContact CG-CG2 4.26Å; R113-V117 WeakPolarHBondContact O-CG2 3.16Å; R113-V117 PolarHBondContact O-N 2.95Å; L114-V117 PolarHBondContact O-N 3.01Å; E115-V117 PolarHBondContact O-N 3.33Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.46Å; V117-S120 WeakPolarHBondContact O-CB 3.49Å; V117-S120 PolarHBondContact O-N 2.81Å; V117-V123 HydrophobicContact CG1-CG2 4.41Å; V117-V123 WeakPolarHBondContact O-CG2 3.19Å; V117-I153 HydrophobicContact CB-CG2 4.16Å; V117-I153 HydrophobicContact CG1-CD1 4Å; V117-I153 HydrophobicContact CG1-CG1 4.27Å; V117-I153 HydrophobicContact CG1-CG2 4.41Å; V117-I153 HydrophobicContact CG2-CG2 4.17Å; V117-V271 HydrophobicContact CG1-CG1 4.31Å; V117-E278 HydrophobicContact CG2-CG 4.07Å
118	C	83.4	Confident	80	Confident	40 Å²	40	60.3 Å²	60.3	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-30.3	176.9	-70.2	0	0	0	0	112.9	L114 E115 S120	L114-C118 WeakPolarHBondContact O-CB 3.25Å; L114-C118 PolarHBondContact O-N 3.21Å; L114-C118 PolarHBondContact O-SG 3.16Å; E115-C118 PolarHBondContact O-N 3.38Å; C118-S120 VanDerWaalsContact C-N 3.28Å; C118-S120 PolarHBondContact O-N 3.19Å
119	Q	85.5	Confident	80.3	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-76.4	-14	177.4	-74.7	173	13	0	0	113.7	E115 R116 V117 N121 K124	E115-Q119 VanDerWaalsContact O-CB 3.28Å; E115-Q119 WeakPolarHBondContact O-CB 3.26Å; E115-Q119 WeakPolarHBondContact O-CG 3.31Å; E115-Q119 PolarHBondContact O-N 3.43Å; R116-Q119 PolarHBondContact O-N 3.41Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.46Å; Q119-N121 PolarHBondContact O-N 2.95Å; Q119-K124 WeakPolarHBondContact O-CE 3.4Å; Q119-K124 PolarHBondContact O-NZ 3.42Å
120	S	87.1	Confident	80.6	Confident	18 Å²	18	61.5 Å²	61.5	13%	0.126	34%	0.338	C	S	.	.	S	Bend	trans	-58	131.2	177.7	-178.9	0	0	0	0	111.7	R116 V117 C118 R122 V123 K124 S274	R116-S120 PolarHBondContact O-N 3.32Å; V117-S120 WeakPolarHBondContact O-CB 3.49Å; V117-S120 PolarHBondContact O-N 2.81Å; C118-S120 VanDerWaalsContact C-N 3.28Å; C118-S120 PolarHBondContact O-N 3.19Å; S120-R122 PolarHBondContact O-N 3.36Å; S120-V123 PolarHBondContact O-N 2.89Å; S120-V123 VanDerWaalsContact O-N 3.08Å; S120-K124 PolarHBondContact O-N 3.34Å; S120-S274 WeakPolarHBondContact CB-OG 3.29Å; S120-S274 PolarHBondContact OG-OG 3.4Å
121	N	85.9	Confident	80.9	Confident	114 Å²	114	61.4 Å²	61.4	61%	0.61	33%	0.333	S	S	*	.	H	α-helix	trans	-55.8	-39	178.9	-67	-12	0	0	0	111.7	Q119 V123 K124 E125	Q119-N121 PolarHBondContact O-N 2.95Å; N121-V123 VanDerWaalsContact C-N 3.32Å; N121-V123 PolarHBondContact O-N 3.45Å; N121-K124 PolarHBondContact O-N 3.46Å; N121-E125 WeakPolarHBondContact O-CB 3.22Å; N121-E125 VanDerWaalsContact O-CG 3.29Å; N121-E125 WeakPolarHBondContact O-CG 3.45Å; N121-E125 PolarHBondContact O-N 2.82Å
122	R	84.3	Confident	80.9	Confident	75 Å²	75	66.4 Å²	66.4	28%	0.283	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-42.9	177.7	-66.7	179	170.9	152.9	4.8	112.8	S120 A126 A270 E310	S120-R122 PolarHBondContact O-N 3.36Å; R122-A126 WeakPolarHBondContact O-CB 3.02Å; R122-A126 PolarHBondContact O-N 3.09Å; R122-A270 HydrophobicContact CB-CB 4.23Å; R122-E310 IonicContact CZ-OE1 3.61Å; R122-E310 IonicContact CZ-OE2 2.76Å; R122-E310 IonicContact NH1-OE2 3.07Å; R122-E310 PolarHBondContact NH1-OE2 3.11Å; R122-E310 VanDerWaalsContact NH1-OE2 3.16Å; R122-E310 IonicContact NH2-OE1 3.67Å; R122-E310 PolarHBondContact NH2-OE1 2.88Å; R122-E310 IonicContact NH2-OE2 2.73Å; R122-E310 PolarHBondContact NH2-OE2 3.35Å
123	V	84.6	Confident	79.7	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-73	-41.4	-178.4	178	0	0	0	0	109.8	V117 S120 N121 E125 A126 L127 A270 V271	V117-V123 HydrophobicContact CG1-CG2 4.41Å; V117-V123 WeakPolarHBondContact O-CG2 3.19Å; S120-V123 PolarHBondContact O-N 2.89Å; S120-V123 VanDerWaalsContact O-N 3.08Å; N121-V123 VanDerWaalsContact C-N 3.32Å; N121-V123 PolarHBondContact O-N 3.45Å; V123-E125 PolarHBondContact O-N 3.26Å; V123-A126 PolarHBondContact O-N 3.3Å; V123-L127 HydrophobicContact CG1-CD1 3.86Å; V123-L127 HydrophobicContact CG1-CG 4.43Å; V123-L127 WeakPolarHBondContact O-CB 3.36Å; V123-L127 WeakPolarHBondContact O-CD1 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.25Å; V123-L127 WeakPolarHBondContact O-CG 3.2Å; V123-L127 PolarHBondContact O-N 3.42Å; V123-A270 HydrophobicContact CG2-CB 4.32Å; V123-V271 HydrophobicContact CG1-CG2 4.13Å; V123-V271 HydrophobicContact CG2-CG2 4.11Å
124	K	85.6	Confident	77.9	Confident	105 Å²	105	70.7 Å²	70.7	46%	0.457	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174.3	-71	172.4	174.8	160.2	0	112.4	Q119 S120 N121 A128	Q119-K124 WeakPolarHBondContact O-CE 3.4Å; Q119-K124 PolarHBondContact O-NZ 3.42Å; S120-K124 PolarHBondContact O-N 3.34Å; N121-K124 PolarHBondContact O-N 3.46Å; K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 3.34Å
125	E	84.5	Confident	76	Confident	131 Å²	131	77.5 Å²	77.5	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-45.7	177.1	-74.4	167.4	-165.9	0	0	111.9	N121 V123 L127 A128 A129	N121-E125 WeakPolarHBondContact O-CB 3.22Å; N121-E125 VanDerWaalsContact O-CG 3.29Å; N121-E125 WeakPolarHBondContact O-CG 3.45Å; N121-E125 PolarHBondContact O-N 2.82Å; V123-E125 PolarHBondContact O-N 3.26Å; E125-L127 PolarHBondContact O-N 3.34Å; E125-A128 PolarHBondContact O-N 3.07Å; E125-A129 WeakPolarHBondContact O-CB 3.18Å; E125-A129 PolarHBondContact O-N 3.33Å
126	A	82.6	Confident	74.6	Confident	16 Å²	16	75.7 Å²	75.7	13%	0.132	43%	0.427	C	S	.	.	H	α-helix	trans	-63.5	-40.2	177.2	0	0	0	0	0	112.1	R122 V123 A129 A130 L267 A270	R122-A126 WeakPolarHBondContact O-CB 3.02Å; R122-A126 PolarHBondContact O-N 3.09Å; V123-A126 PolarHBondContact O-N 3.3Å; A126-A129 PolarHBondContact O-N 3.48Å; A126-A130 WeakPolarHBondContact O-CB 3.35Å; A126-A130 PolarHBondContact O-N 3.4Å; A126-L267 HydrophobicContact CB-CD1 4.2Å; A126-A270 HydrophobicContact CB-CB 3.74Å
127	L	83.4	Confident	72.5	Confident	8 Å²	8	80.6 Å²	80.6	4%	0.042	45%	0.453	C	S	.	.	H	α-helix	trans	-62.2	-46.6	172.9	-76.6	164	0	0	0	111.4	V123 E125 A129 A130 H131 L146 L267	V123-L127 HydrophobicContact CG1-CD1 3.86Å; V123-L127 HydrophobicContact CG1-CG 4.43Å; V123-L127 WeakPolarHBondContact O-CB 3.36Å; V123-L127 WeakPolarHBondContact O-CD1 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.25Å; V123-L127 WeakPolarHBondContact O-CG 3.2Å; V123-L127 PolarHBondContact O-N 3.42Å; E125-L127 PolarHBondContact O-N 3.34Å; L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.48Å; L127-A130 PolarHBondContact O-N 3Å; L127-H131 PolarHBondContact O-N 3.45Å; L127-H131 VanDerWaalsContact O-N 3.1Å; L127-H131 PolarHBondContact O-ND1 3.4Å; L127-L146 HydrophobicContact CD1-CD1 3.77Å; L127-L146 HydrophobicContact CD2-CD1 4.01Å; L127-L146 HydrophobicContact CD2-CG 4.21Å; L127-L146 HydrophobicContact CG-CD1 4.5Å; L127-L267 HydrophobicContact CD2-CD1 3.81Å; L127-L267 HydrophobicContact CD2-CD2 4.27Å; L127-L267 HydrophobicContact CG-CD1 3.8Å
128	A	81.5	Confident	70.6	Confident	53 Å²	53	86.9 Å²	86.9	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-36.1	178.4	0	0	0	0	0	112.3	K124 E125	K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 3.34Å; E125-A128 PolarHBondContact O-N 3.07Å
129	A	79.4	Confident	69	Low	66 Å²	66	89.2 Å²	89.2	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-40.4	174.4	0	0	0	0	0	112.1	E125 A126 L127 H131 K132	E125-A129 WeakPolarHBondContact O-CB 3.18Å; E125-A129 PolarHBondContact O-N 3.33Å; A126-A129 PolarHBondContact O-N 3.48Å; L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.48Å; A129-H131 VanDerWaalsContact C-N 3.3Å; A129-H131 PolarHBondContact O-N 2.9Å; A129-K132 PolarHBondContact O-N 3.35Å
130	A	71.8	Confident	67.1	Low	45 Å²	45	91.8 Å²	91.8	37%	0.372	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-31.3	176.8	0	0	0	0	0	113	A126 L127 K132	A126-A130 WeakPolarHBondContact O-CB 3.35Å; A126-A130 PolarHBondContact O-N 3.4Å; L127-A130 PolarHBondContact O-N 3Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.1Å
131	H	63.2	Low	65.4	Low	69 Å²	69	92.1 Å²	92.1	32%	0.319	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	177.7	-74.2	59.2	0	0	0	114.1	L127 A129 A133 Q142 L145	L127-H131 PolarHBondContact O-N 3.45Å; L127-H131 VanDerWaalsContact O-N 3.1Å; L127-H131 PolarHBondContact O-ND1 3.4Å; A129-H131 VanDerWaalsContact C-N 3.3Å; A129-H131 PolarHBondContact O-N 2.9Å; H131-A133 VanDerWaalsContact C-N 3.3Å; H131-Q142 WeakPolarHBondContact NE2-CG 3.5Å; H131-L145 WeakPolarHBondContact CE1-CD1 3.32Å
132	K	60.2	Low	63.9	Low	191 Å²	191	90.7 Å²	90.7	83%	0.83	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.6	177.5	-73.8	-174.4	178	-176.8	0	113.9	A129 A130	A129-K132 PolarHBondContact O-N 3.35Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.1Å
133	A	46.6	Very low	62.5	Low	70 Å²	70	93.5 Å²	93.5	58%	0.579	53%	0.527	S	S	*	.	S	Bend	trans	-96.3	144.4	162.6	0	0	0	0	0	108.6	H131	H131-A133 VanDerWaalsContact C-N 3.3Å
134	P	48	Very low	61.3	Low	122 Å²	122	97.2 Å²	97.2	79%	0.792	55%	0.554	S	S	*	*	S	Bend		-71.7	157.7	-128.3	30.8	-36.9	0	0	0	116.7
135	E	43.9	Very low	60.1	Low	191 Å²	191	95.9 Å²	95.9	89%	0.893	55%	0.551	S	S	*	*			trans	83.9	112.1	169.4	-57.1	-161.7	164	0	0	117.4
136	G	52.7	Low	59.3	Low	79 Å²	79	90.2 Å²	90.2	81%	0.814	53%	0.525	S	S	*	.			trans	-74.8	137.7	-177.3	0	0	0	0	0	112
137	E	42.2	Very low	58.7	Low	182 Å²	182	93.1 Å²	93.1	85%	0.85	54%	0.544	S	S	*	.			trans	-160.8	160	151.1	-110.9	177	-164	0	0	109.1
138	D	46.8	Very low	58	Low	133 Å²	133	95.1 Å²	95.1	71%	0.711	56%	0.558	S	S	*	*			trans	-53	178.3	-163.9	-74.6	-42.6	0	0	0	117.2	Q140 G141	D138-Q140 PolarHBondContact O-N 3.44Å; D138-G141 PolarHBondContact O-N 3.39Å
139	S	48.5	Very low	57.7	Low	90 Å²	90	93 Å²	93	63%	0.629	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.1	-14.6	-179.4	-23.7	0	0	0	0	116.4
140	Q	46.3	Very low	57.5	Low	170 Å²	170	92.6 Å²	92.6	79%	0.794	53%	0.527	S	S	*	.	H	α-helix	trans	-69.7	-28.5	171.9	-122.7	153.8	-21	0	0	113.5	D138 H143	D138-Q140 PolarHBondContact O-N 3.44Å; Q140-H143 PolarHBondContact O-N 2.86Å
141	G	51.8	Low	57.6	Low	25 Å²	25	92.1 Å²	92.1	26%	0.258	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-26.1	175.7	0	0	0	0	0	114.5	D138 H143 S144	D138-G141 PolarHBondContact O-N 3.39Å; G141-H143 VanDerWaalsContact C-N 3.33Å; G141-H143 PolarHBondContact O-N 3.45Å; G141-S144 PolarHBondContact O-N 3.43Å; G141-S144 PolarHBondContact O-OG 3.46Å
142	Q	53.8	Low	58.4	Low	83 Å²	83	88.9 Å²	88.9	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-35.2	174.7	-78.6	176.2	-18.4	0	0	112.4	H131 L146	H131-Q142 WeakPolarHBondContact NE2-CG 3.5Å; Q142-L146 PolarHBondContact O-N 2.86Å
143	H	56.1	Low	59.4	Low	134 Å²	134	79.9 Å²	79.9	62%	0.62	47%	0.467	S	S	*	.	H	α-helix	trans	-72.4	-30	180	-77.3	-79.8	0	0	0	113.1	Q140 G141 S147	Q140-H143 PolarHBondContact O-N 2.86Å; G141-H143 VanDerWaalsContact C-N 3.33Å; G141-H143 PolarHBondContact O-N 3.45Å; H143-S147 WeakPolarHBondContact O-CB 3.27Å; H143-S147 PolarHBondContact O-N 2.7Å; H143-S147 VanDerWaalsContact O-N 3.1Å
144	S	58.5	Low	61.1	Low	79 Å²	79	79.5 Å²	79.5	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-70.6	-39.1	178.3	65.6	0	0	0	0	111.9	G141 S147	G141-S144 PolarHBondContact O-N 3.43Å; G141-S144 PolarHBondContact O-OG 3.46Å; S144-S147 WeakPolarHBondContact O-CB 3.44Å; S144-S147 PolarHBondContact O-N 3.45Å
145	L	60.9	Low	62.8	Low	77 Å²	77	73.7 Å²	73.7	40%	0.403	42%	0.418	S	S	.	.	H	α-helix	trans	-71.6	-32.6	177.8	-71.8	162.2	0	0	0	113.2	H131 P148 L267	H131-L145 WeakPolarHBondContact CE1-CD1 3.32Å; L145-P148 WeakPolarHBondContact O-CD 3.25Å; L145-L267 HydrophobicContact CB-CD2 4.5Å
146	L	68.1	Low	64.9	Low	12 Å²	12	65.4 Å²	65.4	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-80.8	-19.1	175.3	-92.3	151.3	0	0	0	113.7	L127 Q142 P148 L149 L150 I153 V271	L127-L146 HydrophobicContact CD1-CD1 3.77Å; L127-L146 HydrophobicContact CD2-CD1 4.01Å; L127-L146 HydrophobicContact CD2-CG 4.21Å; L127-L146 HydrophobicContact CG-CD1 4.5Å; Q142-L146 PolarHBondContact O-N 2.86Å; L146-P148 VanDerWaalsContact C-CD 3.46Å; L146-L149 CarbonylContact O-C 3.54Å; L146-L149 WeakPolarHBondContact O-CA 3.28Å; L146-L149 PolarHBondContact O-N 3.44Å; L146-L150 PolarHBondContact O-N 2.93Å; L146-I153 HydrophobicContact CD2-CD1 4.28Å; L146-V271 HydrophobicContact CD2-CG2 4.41Å
147	S	68.6	Low	66.6	Low	77 Å²	77	61.7 Å²	61.7	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-50.4	-44.7	-174.8	178.8	0	0	0	0	114	H143 S144 L149 L150	H143-S147 WeakPolarHBondContact O-CB 3.27Å; H143-S147 PolarHBondContact O-N 2.7Å; H143-S147 VanDerWaalsContact O-N 3.1Å; S144-S147 WeakPolarHBondContact O-CB 3.44Å; S144-S147 PolarHBondContact O-N 3.45Å; S147-L149 VanDerWaalsContact C-N 3.3Å; S147-L149 PolarHBondContact O-N 3.15Å; S147-L150 PolarHBondContact O-N 2.75Å
148	P	68.9	Low	68.8	Low	49 Å²	49	55.1 Å²	55.1	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-32.4	177.2	-20.5	34	0	0	0	113.4	L145 L146 S151	L145-P148 WeakPolarHBondContact O-CD 3.25Å; L146-P148 VanDerWaalsContact C-CD 3.46Å; P148-S151 PolarHBondContact O-OG 3.17Å; P148-S151 VanDerWaalsContact O-OG 3.07Å
149	L	75.2	Confident	70.9	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-88.1	-16.8	-176.7	-59.2	178.2	0	0	0	112.9	L146 S147 S151 L152 I153 P253 L267 Y268 V271	L146-L149 CarbonylContact O-C 3.54Å; L146-L149 WeakPolarHBondContact O-CA 3.28Å; L146-L149 PolarHBondContact O-N 3.44Å; S147-L149 VanDerWaalsContact C-N 3.3Å; S147-L149 PolarHBondContact O-N 3.15Å; L149-S151 VanDerWaalsContact C-N 3.27Å; L149-S151 PolarHBondContact O-N 2.71Å; L149-L152 WeakPolarHBondContact O-CA 3.46Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.5Å; L149-I153 WeakPolarHBondContact O-CG1 3.43Å; L149-I153 PolarHBondContact O-N 3.36Å; L149-P253 HydrophobicContact CD2-CG 4.05Å; L149-L267 HydrophobicContact CD1-CD2 4.15Å; L149-L267 HydrophobicContact CD1-CG 3.92Å; L149-Y268 HydrophobicContact CD2-CD2 3.69Å; L149-Y268 HydrophobicContact CD2-CE2 4.49Å; L149-V271 HydrophobicContact CD1-CB 4.36Å; L149-V271 HydrophobicContact CD1-CG2 4Å
150	L	75.6	Confident	72.8	Confident	59 Å²	59	49.1 Å²	49.1	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-35	-178.6	-158.3	133.2	0	0	0	111.9	L114 L146 S147 L152 I153 N154	L114-L150 HydrophobicContact CD1-CD1 4.2Å; L114-L150 HydrophobicContact CD1-CG 4.06Å; L114-L150 HydrophobicContact CD2-CD1 4.11Å; L114-L150 HydrophobicContact CD2-CD2 4.47Å; L114-L150 HydrophobicContact CD2-CG 4.19Å; L146-L150 PolarHBondContact O-N 2.93Å; S147-L150 PolarHBondContact O-N 2.75Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 3.11Å; L150-I153 PolarHBondContact O-N 2.99Å; L150-N154 VanDerWaalsContact CD2-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD2-ND2 3.36Å; L150-N154 WeakPolarHBondContact O-CB 3.48Å; L150-N154 VanDerWaalsContact O-CG 3.32Å; L150-N154 PolarHBondContact O-N 3.22Å; L150-N154 VanDerWaalsContact O-N 3.09Å; L150-N154 PolarHBondContact O-ND2 3.32Å
151	S	74.8	Confident	74.9	Confident	35 Å²	35	42.9 Å²	42.9	25%	0.245	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-39.6	170.9	63.3	0	0	0	0	112.5	P148 L149 T155	P148-S151 PolarHBondContact O-OG 3.17Å; P148-S151 VanDerWaalsContact O-OG 3.07Å; L149-S151 VanDerWaalsContact C-N 3.27Å; L149-S151 PolarHBondContact O-N 2.71Å; S151-T155 PolarHBondContact O-N 3.26Å
152	L	78.9	Confident	76.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-72.7	-42	-178.1	-164.6	58.6	0	0	0	112.2	L149 L150 N154 T155 I250 L251 Y268 M272 L275	L149-L152 WeakPolarHBondContact O-CA 3.46Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.5Å; L150-L152 VanDerWaalsContact C-N 3.26Å; L150-L152 PolarHBondContact O-N 3.11Å; L152-N154 VanDerWaalsContact C-N 3.29Å; L152-N154 PolarHBondContact O-N 3.05Å; L152-T155 HydrophobicContact CD1-CG2 4.41Å; L152-T155 WeakPolarHBondContact O-CB 3.43Å; L152-T155 WeakPolarHBondContact O-CG2 3.41Å; L152-T155 PolarHBondContact O-N 3.26Å; L152-T155 PolarHBondContact O-OG1 2.82Å; L152-I250 HydrophobicContact CD1-CB 4.29Å; L152-I250 HydrophobicContact CD1-CG2 3.45Å; L152-I250 VanDerWaalsContact CD1-CG2 3.45Å; L152-I250 HydrophobicContact CG-CG2 4.3Å; L152-L251 VanDerWaalsContact CD1-O 3.23Å; L152-L251 WeakPolarHBondContact CD1-O 3.35Å; L152-Y268 HydrophobicContact CD2-CD2 4.4Å; L152-Y268 HydrophobicContact CD2-CE2 3.73Å; L152-M272 HydrophobicContact CD2-CE 3.84Å; L152-M272 HydrophobicContact CD2-SD 3.24Å; L152-M272 WeakPolarHBondContact CD2-SD 3.45Å; L152-M272 HydrophobicContact CG-CE 4.24Å; L152-M272 HydrophobicContact CG-SD 4.04Å; L152-L275 HydrophobicContact CG-CD2 4.48Å
153	I	80.3	Confident	78.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-35.2	178.5	-59.3	165.1	0	0	0	110.7	L114 V117 L146 L149 L150 T155 V271	L114-I153 HydrophobicContact CB-CG2 4.18Å; L114-I153 HydrophobicContact CD1-CB 4.01Å; L114-I153 HydrophobicContact CD1-CD1 3.85Å; L114-I153 HydrophobicContact CD1-CG2 3.71Å; V117-I153 HydrophobicContact CB-CG2 4.16Å; V117-I153 HydrophobicContact CG1-CD1 4Å; V117-I153 HydrophobicContact CG1-CG1 4.27Å; V117-I153 HydrophobicContact CG1-CG2 4.41Å; V117-I153 HydrophobicContact CG2-CG2 4.17Å; L146-I153 HydrophobicContact CD2-CD1 4.28Å; L149-I153 WeakPolarHBondContact O-CG1 3.43Å; L149-I153 PolarHBondContact O-N 3.36Å; L150-I153 PolarHBondContact O-N 2.99Å; I153-T155 PolarHBondContact O-N 3.4Å; I153-V271 HydrophobicContact CD1-CG1 3.76Å; I153-V271 HydrophobicContact CG1-CG1 3.7Å
154	N	82.3	Confident	80.3	Confident	62 Å²	62	40.5 Å²	40.5	33%	0.332	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	7.1	177.9	-71.3	-20	0	0	0	114.1	L150 L152 C156	L150-N154 VanDerWaalsContact CD2-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD2-ND2 3.36Å; L150-N154 WeakPolarHBondContact O-CB 3.48Å; L150-N154 VanDerWaalsContact O-CG 3.32Å; L150-N154 PolarHBondContact O-N 3.22Å; L150-N154 VanDerWaalsContact O-N 3.09Å; L150-N154 PolarHBondContact O-ND2 3.32Å; L152-N154 VanDerWaalsContact C-N 3.29Å; L152-N154 PolarHBondContact O-N 3.05Å; N154-C156 PolarHBondContact O-N 2.83Å
155	T	85	Confident	81.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.222	C	C	.	.			trans	-55.6	131.3	172.2	50.2	0	0	0	0	110.3	R113 S151 L152 I153 E245	R113-T155 PolarHBondContact NH1-O 3.36Å; S151-T155 PolarHBondContact O-N 3.26Å; L152-T155 HydrophobicContact CD1-CG2 4.41Å; L152-T155 WeakPolarHBondContact O-CB 3.43Å; L152-T155 WeakPolarHBondContact O-CG2 3.41Å; L152-T155 PolarHBondContact O-N 3.26Å; L152-T155 PolarHBondContact O-OG1 2.82Å; I153-T155 PolarHBondContact O-N 3.4Å; T155-E245 HydrophobicContact CG2-CB 3.92Å; T155-E245 HydrophobicContact CG2-CG 3.89Å
156	C	87.8	Confident	83.3	Confident	16 Å²	16	34.9 Å²	34.9	11%	0.108	21%	0.205	C	C	.	.			trans	-147.6	159.3	-174.7	62.5	0	0	0	0	111	V110 N154 E245 K246 V247 G248	V110-C156 HydrophobicContact CG2-CB 3.38Å; N154-C156 PolarHBondContact O-N 2.83Å; C156-E245 PolarHBondContact N-O 3.23Å; C156-K246 CarbonylContact O-C 3.49Å; C156-K246 WeakPolarHBondContact O-CA 3.34Å; C156-V247 PolarHBondContact O-N 3.28Å; C156-G248 PolarHBondContact O-N 3.4Å; C156-G248 VanDerWaalsContact O-N 3.16Å
157	I	88	Confident	84.4	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-103.6	98.2	174.9	-60.5	173.5	0	0	0	107.9	V105 S108 P159 I162 T226 Y228	V105-I157 HydrophobicContact CG1-CG2 4.46Å; S108-I157 PolarHBondContact N-O 3.02Å; I157-P159 WeakPolarHBondContact O-CD 3.46Å; I157-I162 HydrophobicContact CG2-CG2 4.43Å; I157-T226 WeakPolarHBondContact CD1-O 3.25Å; I157-Y228 HydrophobicContact CD1-CD2 3.88Å; I157-Y228 HydrophobicContact CD1-CE2 3.56Å; I157-Y228 HydrophobicContact CG1-CE1 4.32Å; I157-Y228 HydrophobicContact CG1-CE2 4.01Å
158	S	89.6	Confident	85.4	Confident	44 Å²	44	37 Å²	37	31%	0.308	20%	0.203	S	C	.	.			trans	-78.1	119.5	175.1	175.9	0	0	0	0	110.6	G160 L161 I162 K246	S158-G160 VanDerWaalsContact C-N 3.31Å; S158-G160 PolarHBondContact O-N 3.21Å; S158-L161 PolarHBondContact O-N 3.21Å; S158-I162 VanDerWaalsContact O-CG2 3.26Å; S158-I162 WeakPolarHBondContact O-CG2 3.42Å; S158-I162 PolarHBondContact O-N 3.17Å; S158-K246 WeakPolarHBondContact CB-O 3.19Å; S158-K246 PolarHBondContact N-O 2.8Å
159	P	89.3	Confident	86.4	Confident	48 Å²	48	36.6 Å²	36.6	31%	0.312	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-28.7	-174.5	-24.9	34.8	0	0	0	115.7	V105 I157 R163	V105-P159 HydrophobicContact CB-CB 4.27Å; V105-P159 HydrophobicContact CG1-CB 3.9Å; V105-P159 HydrophobicContact CG1-CG 4.29Å; I157-P159 WeakPolarHBondContact O-CD 3.46Å; P159-R163 WeakPolarHBondContact O-CD 3.31Å; P159-R163 VanDerWaalsContact O-CG 3.26Å; P159-R163 WeakPolarHBondContact O-CG 3.36Å; P159-R163 PolarHBondContact O-NH1 3.25Å
160	G	89.1	Confident	87.1	Confident	49 Å²	49	36.4 Å²	36.4	51%	0.505	20%	0.197	S	C	.	.	H	α-helix	trans	-73.7	-46	175	0	0	0	0	0	111.2	S158 R163 F164	S158-G160 VanDerWaalsContact C-N 3.31Å; S158-G160 PolarHBondContact O-N 3.21Å; G160-R163 PolarHBondContact O-N 3.15Å; G160-F164 PolarHBondContact O-N 3.47Å
161	L	90.3	Very high	87.7	Confident	39 Å²	39	38.2 Å²	38.2	20%	0.204	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-44.6	-175.4	-169	64.2	0	0	0	112.2	S158 R163 F164 M165 V243 K246 V247	S158-L161 PolarHBondContact O-N 3.21Å; L161-R163 VanDerWaalsContact C-N 3.25Å; L161-R163 PolarHBondContact O-N 3.17Å; L161-F164 PolarHBondContact O-N 3.46Å; L161-M165 HydrophobicContact CD1-CG 4.29Å; L161-M165 HydrophobicContact CG-CG 4.22Å; L161-M165 WeakPolarHBondContact O-CB 3.37Å; L161-M165 VanDerWaalsContact O-CG 3.28Å; L161-M165 WeakPolarHBondContact O-CG 3.34Å; L161-M165 PolarHBondContact O-N 2.94Å; L161-V243 HydrophobicContact CD1-CG1 4.41Å; L161-V243 HydrophobicContact CD2-CG1 4.24Å; L161-K246 HydrophobicContact CD2-CB 3.39Å; L161-K246 HydrophobicContact CD2-CD 4.34Å; L161-V247 HydrophobicContact CD2-CG2 3.74Å; L161-V247 HydrophobicContact CG-CG2 3.76Å
162	I	91	Very high	88.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-35.8	176.8	-175.2	65.7	0	0	0	111.8	V105 I157 S158 S166 L220 T226 V247	V105-I162 HydrophobicContact CB-CG2 4.43Å; V105-I162 HydrophobicContact CG1-CG2 3.58Å; V105-I162 HydrophobicContact CG2-CG2 3.98Å; I157-I162 HydrophobicContact CG2-CG2 4.43Å; S158-I162 VanDerWaalsContact O-CG2 3.26Å; S158-I162 WeakPolarHBondContact O-CG2 3.42Å; S158-I162 PolarHBondContact O-N 3.17Å; I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.16Å; I162-S166 PolarHBondContact O-OG 3.01Å; I162-L220 HydrophobicContact CG1-CD2 4.43Å; I162-T226 HydrophobicContact CD1-CG2 4.42Å; I162-T226 HydrophobicContact CG1-CG2 4.2Å; I162-V247 HydrophobicContact CD1-CG1 3.55Å
163	R	92.1	Very high	88.6	Confident	77 Å²	77	37.8 Å²	37.8	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-67.4	-46.7	175.5	-74.6	179.1	178.6	109.5	-4.6	111.4	V100 C103 V105 P159 G160 L161 S166 W167	V100-R163 HydrophobicContact CG1-CB 3.91Å; V100-R163 HydrophobicContact CG1-CG 4.15Å; V100-R163 WeakPolarHBondContact CG1-O 3.25Å; C103-R163 PolarHBondContact O-NH2 2.99Å; V105-R163 HydrophobicContact CG2-CG 3.97Å; P159-R163 WeakPolarHBondContact O-CD 3.31Å; P159-R163 VanDerWaalsContact O-CG 3.26Å; P159-R163 WeakPolarHBondContact O-CG 3.36Å; P159-R163 PolarHBondContact O-NH1 3.25Å; G160-R163 PolarHBondContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.25Å; L161-R163 PolarHBondContact O-N 3.17Å; R163-S166 PolarHBondContact O-N 3.1Å; R163-W167 PolarHBondContact O-N 3.31Å
164	F	91.4	Very high	88.9	Confident	111 Å²	111	40 Å²	40	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-50	176.5	174.4	-99.3	0	0	0	111.5	G160 L161 S166 W167 M168	G160-F164 PolarHBondContact O-N 3.47Å; L161-F164 PolarHBondContact O-N 3.46Å; F164-S166 PolarHBondContact O-N 3.45Å; F164-W167 HydrophobicContact CD2-CE3 4.17Å; F164-W167 HydrophobicContact CD2-CZ3 4.35Å; F164-W167 HydrophobicContact CE2-CE3 4.06Å; F164-W167 AromaticContact CE2-CZ3 3.79Å; F164-W167 HydrophobicContact CE2-CZ3 3.79Å; F164-W167 HydrophobicContact CZ-CZ3 4.37Å; F164-W167 WeakPolarHBondContact O-CB 3.31Å; F164-W167 PolarHBondContact O-N 2.97Å; F164-M168 PolarHBondContact O-N 2.81Å
165	M	90.9	Very high	88.8	Confident	31 Å²	31	37.9 Å²	37.9	15%	0.153	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-42.5	179.3	-68.2	-60.3	-67.6	0	0	111.3	L161 W167 M168 M169 V243 V247	L161-M165 HydrophobicContact CD1-CG 4.29Å; L161-M165 HydrophobicContact CG-CG 4.22Å; L161-M165 WeakPolarHBondContact O-CB 3.37Å; L161-M165 VanDerWaalsContact O-CG 3.28Å; L161-M165 WeakPolarHBondContact O-CG 3.34Å; L161-M165 PolarHBondContact O-N 2.94Å; M165-W167 VanDerWaalsContact C-N 3.34Å; M165-W167 PolarHBondContact O-N 3.26Å; M165-M168 HydrophobicContact CE-CE 3.45Å; M165-M168 VanDerWaalsContact CE-CE 3.45Å; M165-M168 CarbonylContact O-C 3.51Å; M165-M168 WeakPolarHBondContact O-CB 3.27Å; M165-M168 PolarHBondContact O-N 3.33Å; M165-M168 VanDerWaalsContact O-N 3.15Å; M165-M168 HydrophobicContact SD-CE 3.83Å; M165-M169 WeakPolarHBondContact O-CB 3.48Å; M165-M169 VanDerWaalsContact O-CG 3.22Å; M165-M169 WeakPolarHBondContact O-CG 3.33Å; M165-M169 PolarHBondContact O-N 3.17Å; M165-V243 HydrophobicContact CE-CG1 4.24Å; M165-V243 HydrophobicContact SD-CG1 4.07Å; M165-V247 HydrophobicContact CB-CG2 4.4Å; M165-V247 HydrophobicContact CG-CG2 3.86Å
166	S	91.4	Very high	88.6	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-39.2	177.1	-60.4	0	0	0	0	112.7	I162 R163 F164 M169 L170 L220	I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.16Å; I162-S166 PolarHBondContact O-OG 3.01Å; R163-S166 PolarHBondContact O-N 3.1Å; F164-S166 PolarHBondContact O-N 3.45Å; S166-M169 PolarHBondContact O-N 3.36Å; S166-L170 VanDerWaalsContact O-CG 3.31Å; S166-L170 WeakPolarHBondContact O-CG 3.13Å; S166-L170 PolarHBondContact O-N 3.23Å; S166-L220 VanDerWaalsContact CB-CD2 3.44Å; S166-L220 WeakPolarHBondContact OG-CD2 3.31Å
167	W	92.2	Very high	88.5	Confident	82 Å²	82	39.3 Å²	39.3	31%	0.311	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-45.8	171.8	164.3	80	0	0	0	111.6	V97 V100 R163 F164 M165 L170 K171	V97-W167 VanDerWaalsContact CG2-CD1 3.48Å; V97-W167 HydrophobicContact CG2-CD2 4.45Å; V97-W167 HydrophobicContact CG2-CG 4.21Å; V100-W167 HydrophobicContact CG2-CB 4.37Å; R163-W167 PolarHBondContact O-N 3.31Å; F164-W167 HydrophobicContact CD2-CE3 4.17Å; F164-W167 HydrophobicContact CD2-CZ3 4.35Å; F164-W167 HydrophobicContact CE2-CE3 4.06Å; F164-W167 AromaticContact CE2-CZ3 3.79Å; F164-W167 HydrophobicContact CE2-CZ3 3.79Å; F164-W167 HydrophobicContact CZ-CZ3 4.37Å; F164-W167 WeakPolarHBondContact O-CB 3.31Å; F164-W167 PolarHBondContact O-N 2.97Å; M165-W167 VanDerWaalsContact C-N 3.34Å; M165-W167 PolarHBondContact O-N 3.26Å; W167-L170 PolarHBondContact O-N 2.98Å; W167-K171 PolarHBondContact O-N 2.82Å
168	M	90.4	Very high	88.4	Confident	51 Å²	51	41.7 Å²	41.7	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-47.6	177.1	-172.4	-176.4	77.1	0	0	110.9	F164 M165 L170 K171 M172	F164-M168 PolarHBondContact O-N 2.81Å; M165-M168 HydrophobicContact CE-CE 3.45Å; M165-M168 VanDerWaalsContact CE-CE 3.45Å; M165-M168 CarbonylContact O-C 3.51Å; M165-M168 WeakPolarHBondContact O-CB 3.27Å; M165-M168 PolarHBondContact O-N 3.33Å; M165-M168 VanDerWaalsContact O-N 3.15Å; M165-M168 HydrophobicContact SD-CE 3.83Å; M168-L170 VanDerWaalsContact C-N 3.34Å; M168-L170 PolarHBondContact O-N 2.87Å; M168-K171 WeakPolarHBondContact O-CB 3.23Å; M168-K171 PolarHBondContact O-N 3.29Å; M168-M172 HydrophobicContact CG-CG 4.37Å; M168-M172 WeakPolarHBondContact O-CG 3.45Å; M168-M172 PolarHBondContact O-N 3.32Å
169	M	89.1	Confident	88.3	Confident	41 Å²	41	40 Å²	40	20%	0.202	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-40.2	178.6	-67.9	-52.6	-62.8	0	0	111.9	M165 S166 K171 M172 F173 A213 L217	M165-M169 WeakPolarHBondContact O-CB 3.48Å; M165-M169 VanDerWaalsContact O-CG 3.22Å; M165-M169 WeakPolarHBondContact O-CG 3.33Å; M165-M169 PolarHBondContact O-N 3.17Å; S166-M169 PolarHBondContact O-N 3.36Å; M169-K171 VanDerWaalsContact C-N 3.28Å; M169-K171 PolarHBondContact O-N 3.41Å; M169-M172 PolarHBondContact O-N 2.71Å; M169-F173 HydrophobicContact CB-CD2 4.28Å; M169-F173 HydrophobicContact CB-CE2 4.13Å; M169-F173 HydrophobicContact CE-CD1 4.45Å; M169-F173 HydrophobicContact CE-CD2 4.34Å; M169-F173 HydrophobicContact CE-CE1 3.64Å; M169-F173 HydrophobicContact CE-CE2 3.52Å; M169-F173 HydrophobicContact CE-CZ 3.12Å; M169-F173 VanDerWaalsContact O-CB 3.25Å; M169-F173 WeakPolarHBondContact O-CB 3.34Å; M169-F173 VanDerWaalsContact O-CD2 3.25Å; M169-F173 WeakPolarHBondContact O-CD2 3.38Å; M169-F173 VanDerWaalsContact O-CG 3.24Å; M169-F173 WeakPolarHBondContact O-CG 3.4Å; M169-F173 PolarHBondContact O-N 3.42Å; M169-A213 HydrophobicContact CE-CB 3.67Å; M169-L217 HydrophobicContact CB-CD2 4.27Å
170	L	90.3	Very high	88.4	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-36.4	174.6	-75.1	163.1	0	0	0	112.5	L76 L77 I79 V100 S166 W167 M168 A174 L217	L76-L170 HydrophobicContact CB-CD2 4.43Å; L77-L170 HydrophobicContact CD2-CD2 4.27Å; I79-L170 HydrophobicContact CD1-CD1 3.7Å; I79-L170 HydrophobicContact CD1-CD2 4.3Å; V100-L170 HydrophobicContact CG2-CD1 3.6Å; S166-L170 VanDerWaalsContact O-CG 3.31Å; S166-L170 WeakPolarHBondContact O-CG 3.13Å; S166-L170 PolarHBondContact O-N 3.23Å; W167-L170 PolarHBondContact O-N 2.98Å; M168-L170 VanDerWaalsContact C-N 3.34Å; M168-L170 PolarHBondContact O-N 2.87Å; L170-A174 VanDerWaalsContact O-CB 3.25Å; L170-A174 WeakPolarHBondContact O-CB 3.34Å; L170-A174 PolarHBondContact O-N 3.2Å; L170-L217 HydrophobicContact CD1-CD1 4.26Å; L170-L217 HydrophobicContact CD2-CD1 4.15Å; L170-L217 HydrophobicContact CD2-CD2 3.98Å; L170-L217 HydrophobicContact CD2-CG 4.42Å; L170-L217 HydrophobicContact CG-CD1 3.86Å; L170-L217 HydrophobicContact CG-CD2 4.19Å
171	K	87.6	Confident	88.5	Confident	96 Å²	96	35.7 Å²	35.7	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-71.7	-45.2	176	-68.3	-63.6	-173.6	-176.9	0	111.8	W167 M168 M169 A174 S175	W167-K171 PolarHBondContact O-N 2.82Å; M168-K171 WeakPolarHBondContact O-CB 3.23Å; M168-K171 PolarHBondContact O-N 3.29Å; M169-K171 VanDerWaalsContact C-N 3.28Å; M169-K171 PolarHBondContact O-N 3.41Å; K171-A174 PolarHBondContact O-N 3.14Å; K171-S175 PolarHBondContact O-N 3.37Å
172	M	84.4	Confident	88.6	Confident	15 Å²	15	33.8 Å²	33.8	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-48.6	175.6	-68.6	-56.4	-50.7	0	0	111	M168 M169 A174 S175 V176 L345 L348 L349	M168-M172 HydrophobicContact CG-CG 4.37Å; M168-M172 WeakPolarHBondContact O-CG 3.45Å; M168-M172 PolarHBondContact O-N 3.32Å; M169-M172 PolarHBondContact O-N 2.71Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 3.01Å; M172-S175 PolarHBondContact O-N 3.34Å; M172-S175 PolarHBondContact O-OG 2.72Å; M172-V176 WeakPolarHBondContact O-CG2 3.46Å; M172-V176 PolarHBondContact O-N 2.92Å; M172-L345 HydrophobicContact CE-CB 4.18Å; M172-L345 HydrophobicContact CE-CD2 3.51Å; M172-L345 HydrophobicContact CE-CG 4.47Å; M172-L345 WeakPolarHBondContact CE-O 3.35Å; M172-L345 HydrophobicContact CG-CD2 4.32Å; M172-L345 HydrophobicContact SD-CD2 4.08Å; M172-L348 HydrophobicContact CE-CB 3.89Å; M172-L348 HydrophobicContact CE-CD1 4.37Å; M172-L349 HydrophobicContact CE-CD1 4.42Å; M172-L349 HydrophobicContact CE-CD2 4.35Å; M172-L349 HydrophobicContact CE-CG 3.9Å; M172-L349 HydrophobicContact SD-CD1 4.02Å; M172-L349 HydrophobicContact SD-CD2 3.75Å; M172-L349 HydrophobicContact SD-CG 3.78Å
173	F	87.9	Confident	88.4	Confident	12 Å²	12	33.8 Å²	33.8	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-27.3	178.7	-69	-31.3	0	0	0	113.5	L77 M169 S175 V176 F177 I180 V210 A213 L214 L217	L77-F173 HydrophobicContact CD2-CB 4.01Å; M169-F173 HydrophobicContact CB-CD2 4.28Å; M169-F173 HydrophobicContact CB-CE2 4.13Å; M169-F173 HydrophobicContact CE-CD1 4.45Å; M169-F173 HydrophobicContact CE-CD2 4.34Å; M169-F173 HydrophobicContact CE-CE1 3.64Å; M169-F173 HydrophobicContact CE-CE2 3.52Å; M169-F173 HydrophobicContact CE-CZ 3.12Å; M169-F173 VanDerWaalsContact O-CB 3.25Å; M169-F173 WeakPolarHBondContact O-CB 3.34Å; M169-F173 VanDerWaalsContact O-CD2 3.25Å; M169-F173 WeakPolarHBondContact O-CD2 3.38Å; M169-F173 VanDerWaalsContact O-CG 3.24Å; M169-F173 WeakPolarHBondContact O-CG 3.4Å; M169-F173 PolarHBondContact O-N 3.42Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 3.29Å; F173-V176 PolarHBondContact O-N 2.95Å; F173-F177 HydrophobicContact CB-CD2 4.13Å; F173-F177 AromaticContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CD2 3.97Å; F173-F177 AromaticContact CD1-CE2 3.72Å; F173-F177 HydrophobicContact CD1-CE2 3.72Å; F173-F177 HydrophobicContact CE1-CE2 4.12Å; F173-F177 HydrophobicContact CG-CD2 4.26Å; F173-F177 HydrophobicContact CG-CE2 4.39Å; F173-F177 PolarHBondContact O-N 2.82Å; F173-I180 HydrophobicContact CB-CD1 3.67Å; F173-I180 HydrophobicContact CD2-CD1 3.91Å; F173-I180 HydrophobicContact CG-CD1 3.93Å; F173-V210 HydrophobicContact CE1-CG1 3.6Å; F173-V210 HydrophobicContact CZ-CG1 3.79Å; F173-A213 HydrophobicContact CZ-CB 4.15Å; F173-L214 HydrophobicContact CD2-CD2 4.05Å; F173-L214 HydrophobicContact CE2-CD2 3.65Å; F173-L214 HydrophobicContact CE2-CG 4.24Å; F173-L214 HydrophobicContact CZ-CD2 3.9Å; F173-L214 HydrophobicContact CZ-CG 4.1Å; F173-L217 HydrophobicContact CD2-CD2 3.57Å; F173-L217 HydrophobicContact CE2-CD2 3.7Å
174	A	86.4	Confident	88.1	Confident	48 Å²	48	35 Å²	35	40%	0.397	18%	0.182	S	C	.	.	H	α-helix	trans	-69.6	-21	171.6	0	0	0	0	0	113.7	L77 L170 K171 M172	L77-A174 HydrophobicContact CD2-CB 4.22Å; L170-A174 VanDerWaalsContact O-CB 3.25Å; L170-A174 WeakPolarHBondContact O-CB 3.34Å; L170-A174 PolarHBondContact O-N 3.2Å; K171-A174 PolarHBondContact O-N 3.14Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 3.01Å
175	S	80.9	Confident	87.8	Confident	17 Å²	17	30.5 Å²	30.5	12%	0.119	16%	0.163	C	C	.	.	H	α-helix	trans	-85.7	-27.6	171.5	75.3	0	0	0	0	112.4	K171 M172 F173 L348 P353	K171-S175 PolarHBondContact O-N 3.37Å; M172-S175 PolarHBondContact O-N 3.34Å; M172-S175 PolarHBondContact O-OG 2.72Å; F173-S175 VanDerWaalsContact C-N 3.26Å; F173-S175 PolarHBondContact O-N 3.29Å; S175-L348 PolarHBondContact OG-O 2.89Å; S175-P353 WeakPolarHBondContact O-CA 3.28Å; S175-P353 WeakPolarHBondContact O-CB 3.16Å
176	V	81.1	Confident	87.6	Confident	34 Å²	34	30 Å²	30	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-89.1	-47.5	-177.7	-179.4	0	0	0	0	112.5	M172 F173 L348 P353 A354	M172-V176 WeakPolarHBondContact O-CG2 3.46Å; M172-V176 PolarHBondContact O-N 2.92Å; F173-V176 PolarHBondContact O-N 2.95Å; V176-L348 HydrophobicContact CG2-CB 3.97Å; V176-L348 HydrophobicContact CG2-CD2 3.61Å; V176-L348 HydrophobicContact CG2-CG 4.27Å; V176-P353 WeakPolarHBondContact O-CA 3.22Å; V176-A354 PolarHBondContact O-N 2.88Å
177	F	86.3	Confident	87.5	Confident	14 Å²	14	30.4 Å²	30.4	6%	0.061	16%	0.162	C	C	.	.			trans	-111.3	143.1	-172.9	-57.8	-65.2	0	0	0	111.6	L77 F173 I180 V210 Y325 V357	L77-F177 HydrophobicContact CD1-CB 4.33Å; L77-F177 WeakPolarHBondContact CD1-O 3.42Å; F173-F177 HydrophobicContact CB-CD2 4.13Å; F173-F177 AromaticContact CD1-CD2 3.97Å; F173-F177 HydrophobicContact CD1-CD2 3.97Å; F173-F177 AromaticContact CD1-CE2 3.72Å; F173-F177 HydrophobicContact CD1-CE2 3.72Å; F173-F177 HydrophobicContact CE1-CE2 4.12Å; F173-F177 HydrophobicContact CG-CD2 4.26Å; F173-F177 HydrophobicContact CG-CE2 4.39Å; F173-F177 PolarHBondContact O-N 2.82Å; F177-I180 HydrophobicContact CB-CG1 4.31Å; F177-I180 HydrophobicContact CD2-CD1 4.09Å; F177-I180 HydrophobicContact CD2-CG1 4.28Å; F177-V210 HydrophobicContact CE2-CG1 4.36Å; F177-V210 HydrophobicContact CZ-CG1 4.45Å; F177-Y325 HydrophobicContact CE1-CD1 4.45Å; F177-Y325 HydrophobicContact CE1-CE1 4.45Å; F177-Y325 HydrophobicContact CZ-CE1 4.27Å; F177-V357 HydrophobicContact CD1-CG2 3.51Å; F177-V357 HydrophobicContact CD2-CG2 4.14Å; F177-V357 HydrophobicContact CE1-CG2 3.47Å; F177-V357 VanDerWaalsContact CE1-CG2 3.47Å; F177-V357 HydrophobicContact CE2-CG2 4.1Å; F177-V357 HydrophobicContact CG-CG2 3.84Å; F177-V357 HydrophobicContact CZ-CG2 3.78Å
178	G	84.5	Confident	87.3	Confident	51 Å²	51	28 Å²	28	53%	0.526	16%	0.157	S	C	.	.	S	Bend	trans	-72.3	-34	173.4	0	0	0	0	0	113	G355	G178-G355 PolarHBondContact N-O 2.9Å
179	S	88.3	Confident	87.2	Confident	8 Å²	8	26.8 Å²	26.8	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	145.8	174.5	66.9	0	0	0	0	111.9	N75 Q181 S356 V357	N75-S179 WeakPolarHBondContact ND2-CB 3.37Å; S179-Q181 PolarHBondContact OG-NE2 3.04Å; S179-S356 WeakPolarHBondContact O-CA 3.2Å; S179-S356 WeakPolarHBondContact OG-CB 3.37Å; S179-V357 PolarHBondContact O-N 2.71Å
180	I	91.2	Very high	87.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.2	168.6	-62	172.2	0	0	0	107.8	N75 L76 L77 F173 F177 L214 V357 I359	N75-I180 CarbonylContact C-O 3.59Å; N75-I180 WeakPolarHBondContact CA-O 3.26Å; N75-I180 PolarHBondContact OD1-N 3.4Å; N75-I180 PolarHBondContact OD1-O 3.45Å; L76-I180 HydrophobicContact CB-CB 4.34Å; L76-I180 HydrophobicContact CB-CG2 4.42Å; L76-I180 HydrophobicContact CD1-CG2 3.83Å; L76-I180 HydrophobicContact CG-CG2 4.18Å; L76-I180 PolarHBondContact N-O 2.81Å; L77-I180 HydrophobicContact CD1-CD1 4.25Å; L77-I180 HydrophobicContact CD1-CG1 4.01Å; L77-I180 HydrophobicContact CD2-CD1 4.05Å; L77-I180 HydrophobicContact CG-CB 4.32Å; L77-I180 HydrophobicContact CG-CD1 4.17Å; L77-I180 HydrophobicContact CG-CG1 4.13Å; F173-I180 HydrophobicContact CB-CD1 3.67Å; F173-I180 HydrophobicContact CD2-CD1 3.91Å; F173-I180 HydrophobicContact CG-CD1 3.93Å; F177-I180 HydrophobicContact CB-CG1 4.31Å; F177-I180 HydrophobicContact CD2-CD1 4.09Å; F177-I180 HydrophobicContact CD2-CG1 4.28Å; I180-L214 HydrophobicContact CD1-CD2 3.7Å; I180-L214 HydrophobicContact CG1-CD2 4.5Å; I180-L214 HydrophobicContact CG2-CD2 4.36Å; I180-V357 CarbonylContact C-O 3.59Å; I180-V357 WeakPolarHBondContact CA-O 3.39Å; I180-V357 HydrophobicContact CG1-CB 4.3Å; I180-I359 HydrophobicContact CG2-CD1 4.12Å
181	Q	91.5	Very high	87.4	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.033	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.8	-173.1	-58.1	-176.4	32.1	0	0	110.9	V38 R74 S179 V357 M358 I359	V38-Q181 VanDerWaalsContact CG2-CD 3.49Å; R74-Q181 WeakPolarHBondContact O-CA 3.49Å; S179-Q181 PolarHBondContact OG-NE2 3.04Å; Q181-V357 PolarHBondContact N-O 3.36Å; Q181-M358 HydrophobicContact CB-CE 4.18Å; Q181-M358 HydrophobicContact CB-CG 4.37Å; Q181-M358 CarbonylContact O-C 3.59Å; Q181-M358 WeakPolarHBondContact O-CA 3.48Å; Q181-M358 VanDerWaalsContact OE1-CE 3.3Å; Q181-I359 PolarHBondContact O-N 3.05Å
182	V	91.1	Very high	87.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.6	176.3	-176.6	0	0	0	0	109.4	F73 R74 L76 A218 I359	F73-V182 WeakPolarHBondContact CA-O 3.49Å; R74-V182 PolarHBondContact N-O 2.77Å; R74-V182 PolarHBondContact O-N 3.3Å; L76-V182 HydrophobicContact CD1-CG2 3.75Å; L76-V182 HydrophobicContact CD2-CG2 3.88Å; L76-V182 HydrophobicContact CG-CG2 3.77Å; V182-A218 HydrophobicContact CG2-CB 4Å; V182-I359 WeakPolarHBondContact CA-O 3.45Å; V182-I359 HydrophobicContact CG2-CB 4.35Å; V182-I359 HydrophobicContact CG2-CD1 4.44Å
183	N	87.8	Confident	87.7	Confident	4 Å²	4	26 Å²	26	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.1	172.9	-170.3	-31.7	0	0	0	110.2	F73 N185 I359 H360	F73-N183 HydrophobicContact CD1-CB 4.12Å; F73-N183 HydrophobicContact CE1-CB 3.88Å; N183-N185 VanDerWaalsContact OD1-CB 3.28Å; N183-N185 WeakPolarHBondContact OD1-CB 3.44Å; N183-N185 PolarHBondContact OD1-N 3.07Å; N183-N185 PolarHBondContact OD1-ND2 2.92Å; N183-I359 PolarHBondContact N-O 3.39Å; N183-H360 PolarHBondContact ND2-CD2 2.96Å; N183-H360 PolarHBondContact ND2-NE2 2.92Å
184	R	86.6	Confident	87.7	Confident	102 Å²	102	26.5 Å²	26.5	39%	0.385	16%	0.156	S	C	.	.			trans	-96.9	-5.6	-175.9	-60.5	178.7	67.8	-167.3	-0.4	114.5	L71 G72 R74 H186 L187 P188	L71-R184 HydrophobicContact CB-CB 3.74Å; L71-R184 WeakPolarHBondContact CD1-O 3.39Å; G72-R184 WeakPolarHBondContact O-CB 3.43Å; G72-R184 WeakPolarHBondContact O-CG 3.46Å; G72-R184 PolarHBondContact O-N 3.06Å; R74-R184 HydrophobicContact CB-CG 4.48Å; R184-H186 VanDerWaalsContact C-N 3.33Å; R184-H186 PolarHBondContact O-N 3.45Å; R184-L187 WeakPolarHBondContact O-CB 3.39Å; R184-L187 PolarHBondContact O-N 3.44Å; R184-L187 VanDerWaalsContact O-N 3.13Å; R184-P188 WeakPolarHBondContact O-CD 3.43Å
185	N	84.1	Confident	87.8	Confident	17 Å²	17	31.9 Å²	31.9	9%	0.091	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.7	-169.3	-68	-16.3	0	0	0	112.8	F70 L71 N183	F70-N185 WeakPolarHBondContact CE2-ND2 3.35Å; L71-N185 PolarHBondContact N-OD1 3.42Å; L71-N185 VanDerWaalsContact N-OD1 3.11Å; N183-N185 VanDerWaalsContact OD1-CB 3.28Å; N183-N185 WeakPolarHBondContact OD1-CB 3.44Å; N183-N185 PolarHBondContact OD1-N 3.07Å; N183-N185 PolarHBondContact OD1-ND2 2.92Å
186	H	86.6	Confident	88.1	Confident	20 Å²	20	36.6 Å²	36.6	9%	0.093	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1.5	-179.8	-62.4	-60	0	0	0	114.4	M49 G50 R184 A189 L190 L361	M49-H186 PolarHBondContact O-CD2 3.44Å; M49-H186 PolarHBondContact O-NE2 2.93Å; G50-H186 PolarHBondContact O-NE2 3.29Å; R184-H186 VanDerWaalsContact C-N 3.33Å; R184-H186 PolarHBondContact O-N 3.45Å; H186-A189 WeakPolarHBondContact O-CB 2.93Å; H186-A189 PolarHBondContact O-N 3.4Å; H186-A189 VanDerWaalsContact O-N 3.13Å; H186-L190 PolarHBondContact O-N 3.32Å; H186-L190 VanDerWaalsContact O-N 3.13Å; H186-L361 WeakPolarHBondContact CB-O 3.46Å; H186-L361 PolarHBondContact CD2-O 3.23Å; H186-L361 VanDerWaalsContact CD2-O 3.32Å
187	L	88.8	Confident	88.3	Confident	15 Å²	15	37.5 Å²	37.5	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-38.3	-178.5	-164.9	72.7	0	0	0	113.5	R184 A189 L190 H191 H222 L224 L361	R184-L187 WeakPolarHBondContact O-CB 3.39Å; R184-L187 PolarHBondContact O-N 3.44Å; R184-L187 VanDerWaalsContact O-N 3.13Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.83Å; L187-L190 HydrophobicContact CD1-CD1 4.36Å; L187-L190 PolarHBondContact O-N 3.07Å; L187-H191 PolarHBondContact O-CD2 3.25Å; L187-H191 VanDerWaalsContact O-CD2 3.29Å; L187-H191 PolarHBondContact O-N 3.29Å; L187-H222 HydrophobicContact CD1-CB 3.87Å; L187-H222 HydrophobicContact CD2-CB 3.92Å; L187-H222 VanDerWaalsContact CD2-ND1 3.29Å; L187-H222 WeakPolarHBondContact CD2-ND1 3.38Å; L187-L224 HydrophobicContact CD1-CD1 3.53Å; L187-L224 HydrophobicContact CD1-CG 4.37Å; L187-L361 HydrophobicContact CD1-CD1 4.35Å
188	P	89.1	Confident	88.4	Confident	31 Å²	31	38.2 Å²	38.2	20%	0.201	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-37.6	173.5	-25.1	37.6	0	0	0	113.3	L65 L71 R184 L190 H191 K192	L65-P188 HydrophobicContact CD2-CB 4.01Å; L71-P188 HydrophobicContact CD1-CG 3.55Å; R184-P188 WeakPolarHBondContact O-CD 3.43Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 3.5Å; P188-H191 PolarHBondContact O-N 3.47Å; P188-K192 PolarHBondContact O-N 3.13Å
189	A	88.7	Confident	88.7	Confident	25 Å²	25	36.5 Å²	36.5	21%	0.207	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-39.4	176.3	0	0	0	0	0	111.3	H186 L187 K192 A193 P364	H186-A189 WeakPolarHBondContact O-CB 2.93Å; H186-A189 PolarHBondContact O-N 3.4Å; H186-A189 VanDerWaalsContact O-N 3.13Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.83Å; A189-K192 PolarHBondContact O-N 2.78Å; A189-A193 PolarHBondContact O-N 3.39Å; A189-P364 HydrophobicContact CB-CG 4.21Å
190	L	91.2	Very high	89.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-42.2	174.5	-64.6	172.8	0	0	0	112.6	H186 L187 P188 K192 A193 T194 L200 Y202 L224 V319 L361 P364	H186-L190 PolarHBondContact O-N 3.32Å; H186-L190 VanDerWaalsContact O-N 3.13Å; L187-L190 HydrophobicContact CD1-CD1 4.36Å; L187-L190 PolarHBondContact O-N 3.07Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 3.5Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.27Å; L190-A193 PolarHBondContact O-N 3.48Å; L190-T194 PolarHBondContact O-N 3.07Å; L190-T194 PolarHBondContact O-OG1 3.1Å; L190-L200 HydrophobicContact CD2-CD2 4.31Å; L190-Y202 HydrophobicContact CD1-CE1 4.47Å; L190-Y202 HydrophobicContact CD2-CE1 4.42Å; L190-L224 HydrophobicContact CB-CD1 4.12Å; L190-L224 HydrophobicContact CB-CD2 4.24Å; L190-L224 HydrophobicContact CD1-CD1 4.07Å; L190-V319 HydrophobicContact CD2-CB 4.37Å; L190-V319 HydrophobicContact CD2-CG1 3.9Å; L190-V319 HydrophobicContact CD2-CG2 3.5Å; L190-L361 HydrophobicContact CD1-CB 3.91Å; L190-L361 HydrophobicContact CD1-CD1 3.76Å; L190-L361 HydrophobicContact CD1-CG 4.42Å; L190-P364 HydrophobicContact CD2-CB 4.1Å; L190-P364 HydrophobicContact CD2-CG 4Å
191	H	90.8	Very high	89.4	Confident	56 Å²	56	36.4 Å²	36.4	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-41	175.1	-80.1	-57.8	0	0	0	111.9	L187 P188 T194 Q195 H222 L224	L187-H191 PolarHBondContact O-CD2 3.25Å; L187-H191 VanDerWaalsContact O-CD2 3.29Å; L187-H191 PolarHBondContact O-N 3.29Å; P188-H191 PolarHBondContact O-N 3.47Å; H191-T194 PolarHBondContact O-N 3.35Å; H191-Q195 VanDerWaalsContact O-CG 3.27Å; H191-Q195 WeakPolarHBondContact O-CG 3.43Å; H191-Q195 PolarHBondContact O-N 3.28Å; H191-H222 PolarHBondContact CE1-O 3.48Å; H191-H222 VanDerWaalsContact CE1-O 3.26Å; H191-H222 PolarHBondContact NE2-O 3.02Å; H191-L224 VanDerWaalsContact CE1-CD2 3.49Å; H191-L224 WeakPolarHBondContact CE1-CD2 3.49Å; H191-L224 WeakPolarHBondContact ND1-CD2 3.29Å
192	K	89.8	Confident	89.6	Confident	77 Å²	77	36.1 Å²	36.1	34%	0.335	19%	0.193	S	C	.	.	H	α-helix	trans	-62.3	-48.6	175.7	-176.3	178.4	175.3	-175.4	0	111.6	L65 P188 A189 L190 T194 Q195 E196	L65-K192 HydrophobicContact CD1-CD 3.55Å; P188-K192 PolarHBondContact O-N 3.13Å; A189-K192 PolarHBondContact O-N 2.78Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 3.27Å; K192-T194 VanDerWaalsContact C-N 3.25Å; K192-T194 PolarHBondContact O-N 2.99Å; K192-Q195 WeakPolarHBondContact O-CB 3.45Å; K192-Q195 PolarHBondContact O-N 3.14Å; K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact O-CG 3.34Å; K192-E196 PolarHBondContact O-N 3.29Å
193	A	88.9	Confident	89.8	Confident	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-38.2	176.9	0	0	0	0	0	112.3	A189 L190 E196 G197 S198 L200 P364	A189-A193 PolarHBondContact O-N 3.39Å; L190-A193 PolarHBondContact O-N 3.48Å; A193-E196 PolarHBondContact O-N 3.32Å; A193-G197 PolarHBondContact O-N 3Å; A193-S198 PolarHBondContact O-N 2.91Å; A193-S198 VanDerWaalsContact O-N 3.13Å; A193-L200 HydrophobicContact CB-CD2 4.03Å; A193-P364 HydrophobicContact CB-CG 4.23Å
194	T	88.8	Confident	90.1	Very high	24 Å²	24	36.2 Å²	36.2	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-36.8	174.8	-52.4	0	0	0	0	112.3	L190 H191 K192 G197 L200 R225	L190-T194 PolarHBondContact O-N 3.07Å; L190-T194 PolarHBondContact O-OG1 3.1Å; H191-T194 PolarHBondContact O-N 3.35Å; K192-T194 VanDerWaalsContact C-N 3.25Å; K192-T194 PolarHBondContact O-N 2.99Å; T194-G197 PolarHBondContact O-N 3.22Å; T194-L200 VanDerWaalsContact OG1-CD1 3.31Å; T194-L200 WeakPolarHBondContact OG1-CD1 3.27Å; T194-R225 HydrophobicContact CG2-CG 4.46Å
195	Q	88.2	Confident	90.3	Very high	161 Å²	161	32.6 Å²	32.6	75%	0.752	18%	0.182	S	C	*	.	H	α-helix	trans	-71	-34.5	177.6	-73.6	169.1	5.6	0	0	112.4	H191 K192 G197	H191-Q195 VanDerWaalsContact O-CG 3.27Å; H191-Q195 WeakPolarHBondContact O-CG 3.43Å; H191-Q195 PolarHBondContact O-N 3.28Å; K192-Q195 WeakPolarHBondContact O-CB 3.45Å; K192-Q195 PolarHBondContact O-N 3.14Å; Q195-G197 PolarHBondContact O-N 2.94Å
196	E	87.1	Confident	90.4	Very high	115 Å²	115	35.3 Å²	35.3	54%	0.537	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.6	173.6	-69.5	174.8	-176.8	0	0	112.8	K192 A193 S198	K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact O-CG 3.34Å; K192-E196 PolarHBondContact O-N 3.29Å; A193-E196 PolarHBondContact O-N 3.32Å; E196-S198 VanDerWaalsContact C-N 3.34Å
197	G	84.9	Confident	90.2	Very high	54 Å²	54	37.7 Å²	37.7	56%	0.557	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	11.3	178	0	0	0	0	0	114.4	A193 T194 Q195	A193-G197 PolarHBondContact O-N 3Å; T194-G197 PolarHBondContact O-N 3.22Å; Q195-G197 PolarHBondContact O-N 2.94Å
198	S	87.9	Confident	89.7	Confident	29 Å²	29	37.7 Å²	37.7	20%	0.203	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-74.4	126.8	176.9	-171.7	0	0	0	0	110.6	A193 E196 L200 S317	A193-S198 PolarHBondContact O-N 2.91Å; A193-S198 VanDerWaalsContact O-N 3.13Å; E196-S198 VanDerWaalsContact C-N 3.34Å; S198-L200 PolarHBondContact O-N 3.45Å; S198-S317 WeakPolarHBondContact OG-CB 3.2Å; S198-S317 PolarHBondContact OG-OG 3.29Å
199	P	92.6	Very high	89.1	Confident	14 Å²	14	37.9 Å²	37.9	9%	0.091	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-66.7	133.9	174	27	-32.2	0	0	0	109.9	L280 D315 V316 S317	P199-L280 HydrophobicContact CB-CD2 3.84Å; P199-L280 HydrophobicContact CG-CD2 4.18Å; P199-D315 WeakPolarHBondContact CG-O 3.35Å; P199-V316 HydrophobicContact CG-CB 4.46Å; P199-V316 HydrophobicContact CG-CG2 4.04Å; P199-V316 WeakPolarHBondContact O-CG1 3.3Å; P199-S317 PolarHBondContact O-N 3.35Å
200	L	95.6	Very high	88.9	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.2	-177.4	-69.6	169.2	0	0	0	110.9	L190 A193 T194 S198 Y202 A285 L286 S317 V319 P364	L190-L200 HydrophobicContact CD2-CD2 4.31Å; A193-L200 HydrophobicContact CB-CD2 4.03Å; T194-L200 VanDerWaalsContact OG1-CD1 3.31Å; T194-L200 WeakPolarHBondContact OG1-CD1 3.27Å; S198-L200 PolarHBondContact O-N 3.45Å; L200-Y202 HydrophobicContact CB-CE2 4.05Å; L200-A285 CarbonylContact O-C 2.84Å; L200-A285 VanDerWaalsContact O-CA 3.26Å; L200-A285 WeakPolarHBondContact O-CA 3.47Å; L200-L286 PolarHBondContact O-N 2.97Å; L200-S317 WeakPolarHBondContact CA-O 3.36Å; L200-V319 HydrophobicContact CD2-CG2 3.88Å; L200-P364 HydrophobicContact CD2-CB 4.17Å
201	V	96.9	Very high	88.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.7	174.9	176.4	0	0	0	0	109.3	V203 L280 L286 L301 I304 V316 S317 L318 V319	V201-V203 HydrophobicContact CG1-CG2 4.1Å; V201-L280 HydrophobicContact CG2-CD2 4.39Å; V201-L286 CarbonylContact C-O 3.54Å; V201-L286 WeakPolarHBondContact CA-O 3.38Å; V201-L286 HydrophobicContact CG2-CB 4.16Å; V201-L286 HydrophobicContact CG2-CD1 4.26Å; V201-L301 HydrophobicContact CG1-CD2 4.45Å; V201-I304 HydrophobicContact CG1-CD1 4.19Å; V201-I304 HydrophobicContact CG2-CD1 4.14Å; V201-V316 HydrophobicContact CB-CG1 3.99Å; V201-V316 HydrophobicContact CG2-CG1 3.27Å; V201-S317 PolarHBondContact N-O 3.02Å; V201-L318 HydrophobicContact CB-CD2 3.92Å; V201-L318 HydrophobicContact CG1-CD2 3.9Å; V201-L318 WeakPolarHBondContact O-CA 3.34Å; V201-V319 PolarHBondContact O-N 3.27Å
202	Y	96.6	Very high	88.6	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.3	178.7	-60	-85.5	0	0	0	110.2	L190 L200 L219 P227 A285 L286 S287 V288 V319 V321 L361	L190-Y202 HydrophobicContact CD1-CE1 4.47Å; L190-Y202 HydrophobicContact CD2-CE1 4.42Å; L200-Y202 HydrophobicContact CB-CE2 4.05Å; Y202-L219 HydrophobicContact CD1-CD1 4.4Å; Y202-L219 HydrophobicContact CD2-CD1 3.8Å; Y202-L219 HydrophobicContact CE1-CD1 4.12Å; Y202-L219 HydrophobicContact CE1-CD2 3.73Å; Y202-L219 HydrophobicContact CE2-CD1 3.49Å; Y202-L219 VanDerWaalsContact CE2-CD1 3.49Å; Y202-L219 HydrophobicContact CE2-CD2 4.31Å; Y202-L219 HydrophobicContact CG-CD1 4.25Å; Y202-L219 WeakPolarHBondContact OH-CD2 3.14Å; Y202-P227 HydrophobicContact CD2-CB 4.24Å; Y202-A285 HydrophobicContact CE2-CB 4.15Å; Y202-L286 WeakPolarHBondContact CD2-O 3.32Å; Y202-L286 PolarHBondContact N-O 3.21Å; Y202-S287 CarbonylContact O-C 3.59Å; Y202-S287 VanDerWaalsContact O-CA 3.25Å; Y202-S287 WeakPolarHBondContact O-CA 3.46Å; Y202-V288 PolarHBondContact O-N 2.66Å; Y202-V319 CarbonylContact C-O 3.44Å; Y202-V319 WeakPolarHBondContact CA-O 3.45Å; Y202-V319 HydrophobicContact CD1-CB 3.71Å; Y202-V319 HydrophobicContact CD1-CG1 3.73Å; Y202-V319 HydrophobicContact CD1-CG2 4.28Å; Y202-V319 HydrophobicContact CE1-CB 4.05Å; Y202-V319 HydrophobicContact CE1-CG1 3.91Å; Y202-V319 HydrophobicContact CE1-CG2 4.19Å; Y202-V319 HydrophobicContact CG-CB 4.46Å; Y202-V321 HydrophobicContact CD1-CG2 3.94Å; Y202-V321 HydrophobicContact CG-CG2 4.49Å; Y202-L361 HydrophobicContact CD1-CD2 4.33Å; Y202-L361 HydrophobicContact CE1-CD2 4.42Å
203	V	95.7	Very high	88.6	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.5	-177.7	-173.9	0	0	0	0	109.4	V201 V288 V290 L301 L318 V319 P320 V321 L437	V201-V203 HydrophobicContact CG1-CG2 4.1Å; V203-V288 WeakPolarHBondContact CA-O 3.43Å; V203-V290 HydrophobicContact CG1-CG2 3.68Å; V203-L301 HydrophobicContact CG1-CD1 4.28Å; V203-L301 HydrophobicContact CG2-CD2 3.86Å; V203-L318 HydrophobicContact CG2-CD2 4Å; V203-V319 PolarHBondContact N-O 2.66Å; V203-P320 CarbonylContact O-C 3.5Å; V203-P320 WeakPolarHBondContact O-CA 3.22Å; V203-V321 PolarHBondContact O-N 2.88Å; V203-L437 HydrophobicContact CB-CD2 4.33Å; V203-L437 HydrophobicContact CG1-CB 4.13Å; V203-L437 HydrophobicContact CG1-CD1 4.26Å; V203-L437 HydrophobicContact CG2-CD1 4.21Å; V203-L437 HydrophobicContact CG2-CD2 4.39Å
204	Y	94.1	Very high	88.7	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158	-176.8	62.5	-83.3	0	0	0	111.8	D211 C212 I215 V288 G289 V290	Y204-D211 HydrophobicContact CD2-CB 3.93Å; Y204-D211 HydrophobicContact CE2-CB 3.51Å; Y204-C212 PolarHBondContact OH-SG 3.16Å; Y204-I215 HydrophobicContact CD1-CD1 3.18Å; Y204-I215 HydrophobicContact CD2-CD1 4.08Å; Y204-I215 HydrophobicContact CE1-CD1 3.53Å; Y204-I215 HydrophobicContact CE2-CD1 4.37Å; Y204-I215 HydrophobicContact CG-CD1 3.48Å; Y204-I215 VanDerWaalsContact CG-CD1 3.48Å; Y204-V288 WeakPolarHBondContact CD1-O 3.31Å; Y204-V288 VanDerWaalsContact CE1-C 3.5Å; Y204-V288 PolarHBondContact N-O 3.37Å; Y204-G289 VanDerWaalsContact CZ-CA 3.48Å; Y204-G289 CarbonylContact O-C 3.51Å; Y204-G289 WeakPolarHBondContact O-CA 3.5Å; Y204-V290 PolarHBondContact O-N 2.64Å
205	L	90.6	Very high	88.9	Confident	27 Å²	27	32.3 Å²	32.3	14%	0.141	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124	172.1	-64.2	176.5	0	0	0	109.9	Q207 I438 A441 A442	L205-Q207 PolarHBondContact O-N 3.29Å; L205-I438 HydrophobicContact CD2-CB 4.04Å; L205-I438 HydrophobicContact CD2-CG1 3.91Å; L205-I438 HydrophobicContact CD2-CG2 3.78Å; L205-A441 HydrophobicContact CD1-CB 4.3Å; L205-A441 HydrophobicContact CG-CB 3.92Å; L205-A442 HydrophobicContact CD1-CB 3.87Å
206	R	86.4	Confident	89.2	Confident	74 Å²	74	25.4 Å²	25.4	28%	0.279	15%	0.153	S	C	.	.			trans	-64.8	116.4	176.4	-61.8	-176.5	-145.3	-164.9	-10.5	109.5	E259 G289 V290 H296	R206-E259 IonicContact CZ-OE2 2.65Å; R206-E259 IonicContact NH1-OE2 3.81Å; R206-E259 PolarHBondContact NH1-OE2 3.35Å; R206-E259 IonicContact NH2-OE1 2.72Å; R206-E259 PolarHBondContact NH2-OE1 2.82Å; R206-E259 IonicContact NH2-OE2 3.36Å; R206-E259 PolarHBondContact NH2-OE2 3.05Å; R206-G289 VanDerWaalsContact CZ-O 3.28Å; R206-G289 PolarHBondContact NE-O 3.37Å; R206-G289 PolarHBondContact NH2-O 3.34Å; R206-V290 PolarHBondContact N-O 2.94Å; R206-H296 VanDerWaalsContact CZ-CB 3.42Å; R206-H296 VanDerWaalsContact NH1-CB 3.35Å; R206-H296 PolarHBondContact NH2-O 2.8Å
207	Q	81.5	Confident	89.5	Confident	69 Å²	69	20.1 Å²	20.1	32%	0.322	13%	0.128	S	C	.	.			trans	-120.3	-35.3	172.4	-68.4	177.2	75.5	0	0	110.8	L205 D211 I323 Y325 K540	L205-Q207 PolarHBondContact O-N 3.29Å; Q207-D211 PolarHBondContact N-OD2 3.22Å; Q207-I323 PolarHBondContact NE2-O 3.12Å; Q207-Y325 HydrophobicContact CB-CE2 4.37Å; Q207-K540 VanDerWaalsContact CD-NZ 3.3Å
208	S	78.8	Confident	89.9	Confident	16 Å²	16	17.6 Å²	17.6	11%	0.112	10%	0.103	C	C	.	.			trans	-148.3	155	178.8	-178.6	0	0	0	0	111.6	V210 D211 T331	S208-V210 PolarHBondContact O-N 3.3Å; S208-V210 VanDerWaalsContact O-N 3.12Å; S208-V210 PolarHBondContact OG-N 3.47Å; S208-D211 PolarHBondContact N-OD2 3Å; S208-D211 VanDerWaalsContact O-CB 3.26Å; S208-D211 WeakPolarHBondContact O-CB 3.44Å; S208-D211 PolarHBondContact O-N 3.41Å; S208-D211 VanDerWaalsContact O-N 3.07Å; S208-T331 PolarHBondContact OG-OG1 3.04Å
209	A	76.9	Confident	90.2	Very high	35 Å²	35	16.3 Å²	16.3	29%	0.289	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	168.4	0	0	0	0	0	112.7	D211 L233 V333	A209-D211 PolarHBondContact O-N 2.9Å; A209-L233 HydrophobicContact CB-CD1 4.24Å; A209-L233 HydrophobicContact CB-CD2 3.97Å; A209-V333 HydrophobicContact CB-CG2 4.18Å
210	V	84.6	Confident	90.2	Very high	18 Å²	18	15.7 Å²	15.7	11%	0.109	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.5	177.8	-177.2	0	0	0	0	112.1	F173 F177 S208 C212 A213 L214	F173-V210 HydrophobicContact CE1-CG1 3.6Å; F173-V210 HydrophobicContact CZ-CG1 3.79Å; F177-V210 HydrophobicContact CE2-CG1 4.36Å; F177-V210 HydrophobicContact CZ-CG1 4.45Å; S208-V210 PolarHBondContact O-N 3.3Å; S208-V210 VanDerWaalsContact O-N 3.12Å; S208-V210 PolarHBondContact OG-N 3.47Å; V210-C212 VanDerWaalsContact C-N 3.25Å; V210-C212 PolarHBondContact O-N 2.93Å; V210-A213 PolarHBondContact O-N 3.37Å; V210-L214 HydrophobicContact CG1-CD1 3.77Å; V210-L214 HydrophobicContact CG1-CG 3.88Å; V210-L214 PolarHBondContact O-N 3.24Å
211	D	88.3	Confident	89.9	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-54.7	-43.6	178.6	-61.2	-22.8	0	0	0	111.3	Y204 Q207 S208 A209 A213 L214 I215 I323 Y325	Y204-D211 HydrophobicContact CD2-CB 3.93Å; Y204-D211 HydrophobicContact CE2-CB 3.51Å; Q207-D211 PolarHBondContact N-OD2 3.22Å; S208-D211 PolarHBondContact N-OD2 3Å; S208-D211 VanDerWaalsContact O-CB 3.26Å; S208-D211 WeakPolarHBondContact O-CB 3.44Å; S208-D211 PolarHBondContact O-N 3.41Å; S208-D211 VanDerWaalsContact O-N 3.07Å; A209-D211 PolarHBondContact O-N 2.9Å; D211-A213 PolarHBondContact O-N 2.73Å; D211-A213 VanDerWaalsContact O-N 3.14Å; D211-L214 PolarHBondContact O-N 3.02Å; D211-I215 PolarHBondContact O-N 3.28Å; D211-I323 HydrophobicContact CB-CD1 3.99Å; D211-Y325 PolarHBondContact OD1-OH 2.74Å
212	C	86.4	Confident	89.6	Confident	18 Å²	18	16.1 Å²	16.1	12%	0.122	9%	0.091	C	C	.	.	H	α-helix	trans	-61	-23.2	-180	-63.9	0	0	0	0	113.2	Y204 V210 P216 T229 C231	Y204-C212 PolarHBondContact OH-SG 3.16Å; V210-C212 VanDerWaalsContact C-N 3.25Å; V210-C212 PolarHBondContact O-N 2.93Å; C212-P216 WeakPolarHBondContact O-CD 3.49Å; C212-P216 VanDerWaalsContact O-CG 3.31Å; C212-P216 WeakPolarHBondContact O-CG 3.28Å; C212-T229 HydrophobicContact CB-CG2 3.81Å; C212-C231 HydrophobicContact CB-CB 4.4Å; C212-C231 PolarHBondContact SG-SG 3.04Å
213	A	89.4	Confident	89.2	Confident	32 Å²	32	18.3 Å²	18.3	26%	0.264	11%	0.107	S	C	.	.	H	α-helix	trans	-99.7	-30.4	178.4	0	0	0	0	0	112.8	M169 F173 V210 D211 L217	M169-A213 HydrophobicContact CE-CB 3.67Å; F173-A213 HydrophobicContact CZ-CB 4.15Å; V210-A213 PolarHBondContact O-N 3.37Å; D211-A213 PolarHBondContact O-N 2.73Å; D211-A213 VanDerWaalsContact O-N 3.14Å; A213-L217 VanDerWaalsContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CB 3.43Å; A213-L217 PolarHBondContact O-N 3.4Å
214	L	92.1	Very high	88.9	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-67.9	-42.2	179.5	-76.8	169.5	0	0	0	112.6	F173 I180 V210 D211 L217 A218 Y325 V357 I359	F173-L214 HydrophobicContact CD2-CD2 4.05Å; F173-L214 HydrophobicContact CE2-CD2 3.65Å; F173-L214 HydrophobicContact CE2-CG 4.24Å; F173-L214 HydrophobicContact CZ-CD2 3.9Å; F173-L214 HydrophobicContact CZ-CG 4.1Å; I180-L214 HydrophobicContact CD1-CD2 3.7Å; I180-L214 HydrophobicContact CG1-CD2 4.5Å; I180-L214 HydrophobicContact CG2-CD2 4.36Å; V210-L214 HydrophobicContact CG1-CD1 3.77Å; V210-L214 HydrophobicContact CG1-CG 3.88Å; V210-L214 PolarHBondContact O-N 3.24Å; D211-L214 PolarHBondContact O-N 3.02Å; L214-L217 PolarHBondContact O-N 3.07Å; L214-A218 WeakPolarHBondContact O-CB 3.15Å; L214-A218 PolarHBondContact O-N 2.85Å; L214-Y325 HydrophobicContact CD1-CE1 4.27Å; L214-Y325 WeakPolarHBondContact CD1-OH 3.47Å; L214-V357 HydrophobicContact CD1-CG1 4.05Å; L214-I359 HydrophobicContact CB-CD1 4.11Å
215	I	93.4	Very high	88.7	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-53.6	-177.6	-63.7	168.8	0	0	0	111.1	Y204 D211 L217 A218 L219 P227 V321 I323	Y204-I215 HydrophobicContact CD1-CD1 3.18Å; Y204-I215 HydrophobicContact CD2-CD1 4.08Å; Y204-I215 HydrophobicContact CE1-CD1 3.53Å; Y204-I215 HydrophobicContact CE2-CD1 4.37Å; Y204-I215 HydrophobicContact CG-CD1 3.48Å; Y204-I215 VanDerWaalsContact CG-CD1 3.48Å; D211-I215 PolarHBondContact O-N 3.28Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.03Å; I215-A218 PolarHBondContact O-N 2.81Å; I215-L219 HydrophobicContact CG2-CD1 3.79Å; I215-L219 HydrophobicContact CG2-CG 4.38Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 3.33Å; I215-P227 HydrophobicContact CG2-CG 4.48Å; I215-V321 HydrophobicContact CD1-CG1 4.41Å; I215-V321 HydrophobicContact CG1-CG1 4.41Å; I215-I323 HydrophobicContact CD1-CD1 4.14Å; I215-I323 HydrophobicContact CG1-CD1 4.1Å
216	P	93.1	Very high	88.7	Confident	16 Å²	16	20.6 Å²	20.6	10%	0.104	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-38	177	-24.5	35	0	0	0	113.2	C212 L219 L220 P227 T229	C212-P216 WeakPolarHBondContact O-CD 3.49Å; C212-P216 VanDerWaalsContact O-CG 3.31Å; C212-P216 WeakPolarHBondContact O-CG 3.28Å; P216-L219 PolarHBondContact O-N 3.41Å; P216-L220 WeakPolarHBondContact O-CB 3.41Å; P216-L220 PolarHBondContact O-N 3.48Å; P216-P227 HydrophobicContact CG-CG 4.2Å; P216-T229 VanDerWaalsContact CG-OG1 3.31Å; P216-T229 WeakPolarHBondContact CG-OG1 3.26Å
217	L	93.8	Very high	89	Confident	4 Å²	4	17.1 Å²	17.1	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-45.1	177.8	178	63.7	0	0	0	112	M169 L170 F173 A213 L214 I215 L220 C221	M169-L217 HydrophobicContact CB-CD2 4.27Å; L170-L217 HydrophobicContact CD1-CD1 4.26Å; L170-L217 HydrophobicContact CD2-CD1 4.15Å; L170-L217 HydrophobicContact CD2-CD2 3.98Å; L170-L217 HydrophobicContact CD2-CG 4.42Å; L170-L217 HydrophobicContact CG-CD1 3.86Å; L170-L217 HydrophobicContact CG-CD2 4.19Å; F173-L217 HydrophobicContact CD2-CD2 3.57Å; F173-L217 HydrophobicContact CE2-CD2 3.7Å; A213-L217 VanDerWaalsContact O-CB 3.31Å; A213-L217 WeakPolarHBondContact O-CB 3.43Å; A213-L217 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 3.07Å; I215-L217 VanDerWaalsContact C-N 3.28Å; I215-L217 PolarHBondContact O-N 3.03Å; L217-L220 PolarHBondContact O-N 2.92Å; L217-C221 WeakPolarHBondContact O-CB 3.43Å; L217-C221 PolarHBondContact O-N 2.97Å; L217-C221 PolarHBondContact O-SG 3.31Å
218	A	93.6	Very high	89.6	Confident	2 Å²	2	13.9 Å²	13.9	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-48	176.9	0	0	0	0	0	110.6	L76 V182 L214 I215 L220 C221 H222 I359	L76-A218 HydrophobicContact CD1-CB 4.02Å; V182-A218 HydrophobicContact CG2-CB 4Å; L214-A218 WeakPolarHBondContact O-CB 3.15Å; L214-A218 PolarHBondContact O-N 2.85Å; I215-A218 PolarHBondContact O-N 2.81Å; A218-L220 PolarHBondContact O-N 3.27Å; A218-C221 PolarHBondContact O-N 2.64Å; A218-H222 PolarHBondContact O-CD2 3.01Å; A218-H222 PolarHBondContact O-N 3.24Å; A218-I359 HydrophobicContact CB-CD1 4.12Å
219	L	93.2	Very high	90.2	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-43	179.8	-64.7	173.3	0	0	0	112.2	Y202 I215 P216 C221 H222 S223 L224 P227 L361	Y202-L219 HydrophobicContact CD1-CD1 4.4Å; Y202-L219 HydrophobicContact CD2-CD1 3.8Å; Y202-L219 HydrophobicContact CE1-CD1 4.12Å; Y202-L219 HydrophobicContact CE1-CD2 3.73Å; Y202-L219 HydrophobicContact CE2-CD1 3.49Å; Y202-L219 VanDerWaalsContact CE2-CD1 3.49Å; Y202-L219 HydrophobicContact CE2-CD2 4.31Å; Y202-L219 HydrophobicContact CG-CD1 4.25Å; Y202-L219 WeakPolarHBondContact OH-CD2 3.14Å; I215-L219 HydrophobicContact CG2-CD1 3.79Å; I215-L219 HydrophobicContact CG2-CG 4.38Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 3.33Å; P216-L219 PolarHBondContact O-N 3.41Å; L219-C221 PolarHBondContact O-N 2.75Å; L219-H222 CarbonylContact O-C 3.55Å; L219-H222 PolarHBondContact O-N 3.12Å; L219-H222 VanDerWaalsContact O-N 3.1Å; L219-S223 PolarHBondContact O-N 3.42Å; L219-L224 HydrophobicContact CB-CB 4.22Å; L219-L224 HydrophobicContact CD2-CB 4.22Å; L219-L224 HydrophobicContact CD2-CD1 3.59Å; L219-L224 PolarHBondContact O-N 2.92Å; L219-P227 HydrophobicContact CD1-CG 3.66Å; L219-L361 HydrophobicContact CD2-CD1 3.99Å
220	L	92.3	Very high	90.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-44.1	175.3	-178.4	68.4	0	0	0	112.1	V100 C103 V105 I162 S166 P216 L217 A218 H222 S223 T226	V100-L220 HydrophobicContact CG1-CD2 4.38Å; C103-L220 HydrophobicContact CB-CD1 3.81Å; C103-L220 HydrophobicContact CB-CG 3.99Å; C103-L220 PolarHBondContact SG-O 2.81Å; V105-L220 HydrophobicContact CG2-CD1 3.71Å; I162-L220 HydrophobicContact CG1-CD2 4.43Å; S166-L220 VanDerWaalsContact CB-CD2 3.44Å; S166-L220 WeakPolarHBondContact OG-CD2 3.31Å; P216-L220 WeakPolarHBondContact O-CB 3.41Å; P216-L220 PolarHBondContact O-N 3.48Å; L217-L220 PolarHBondContact O-N 2.92Å; A218-L220 PolarHBondContact O-N 3.27Å; L220-H222 PolarHBondContact O-N 3.09Å; L220-H222 VanDerWaalsContact O-N 3.15Å; L220-S223 PolarHBondContact O-N 2.95Å; L220-T226 HydrophobicContact CB-CG2 3.86Å; L220-T226 HydrophobicContact CD1-CG2 3.94Å; L220-T226 HydrophobicContact CG-CG2 4.41Å
221	C	90.7	Very high	90.4	Very high	4 Å²	4	11.5 Å²	11.5	3%	0.027	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-19.1	178.1	-70.9	0	0	0	0	112.7	R74 L76 Y99 L217 A218 L219	R74-C221 PolarHBondContact NH1-O 3.39Å; L76-C221 HydrophobicContact CD2-CB 3.67Å; Y99-C221 HydrophobicContact CE1-CB 4.38Å; Y99-C221 PolarHBondContact OH-O 2.84Å; L217-C221 WeakPolarHBondContact O-CB 3.43Å; L217-C221 PolarHBondContact O-N 2.97Å; L217-C221 PolarHBondContact O-SG 3.31Å; A218-C221 PolarHBondContact O-N 2.64Å; L219-C221 PolarHBondContact O-N 2.75Å
222	H	89.8	Confident	89.6	Confident	12 Å²	12	13.6 Å²	13.6	6%	0.056	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	11.4	176.8	-73.7	-71.9	0	0	0	113.6	L187 H191 A218 L219 L220 L224	L187-H222 HydrophobicContact CD1-CB 3.87Å; L187-H222 HydrophobicContact CD2-CB 3.92Å; L187-H222 VanDerWaalsContact CD2-ND1 3.29Å; L187-H222 WeakPolarHBondContact CD2-ND1 3.38Å; H191-H222 PolarHBondContact CE1-O 3.48Å; H191-H222 VanDerWaalsContact CE1-O 3.26Å; H191-H222 PolarHBondContact NE2-O 3.02Å; A218-H222 PolarHBondContact O-CD2 3.01Å; A218-H222 PolarHBondContact O-N 3.24Å; L219-H222 CarbonylContact O-C 3.55Å; L219-H222 PolarHBondContact O-N 3.12Å; L219-H222 VanDerWaalsContact O-N 3.1Å; L220-H222 PolarHBondContact O-N 3.09Å; L220-H222 VanDerWaalsContact O-N 3.15Å; H222-L224 PolarHBondContact O-N 3.33Å
223	S	88.1	Confident	88.8	Confident	46 Å²	46	15.4 Å²	15.4	32%	0.322	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	28.8	-179.6	-54.8	0	0	0	0	113.9	L219 L220	L219-S223 PolarHBondContact O-N 3.42Å; L220-S223 PolarHBondContact O-N 2.95Å
224	L	90	Very high	88	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-88	162.1	166.7	-71.2	171.6	0	0	0	109.8	L187 L190 H191 L219 H222 T226	L187-L224 HydrophobicContact CD1-CD1 3.53Å; L187-L224 HydrophobicContact CD1-CG 4.37Å; L190-L224 HydrophobicContact CB-CD1 4.12Å; L190-L224 HydrophobicContact CB-CD2 4.24Å; L190-L224 HydrophobicContact CD1-CD1 4.07Å; H191-L224 VanDerWaalsContact CE1-CD2 3.49Å; H191-L224 WeakPolarHBondContact CE1-CD2 3.49Å; H191-L224 WeakPolarHBondContact ND1-CD2 3.29Å; L219-L224 HydrophobicContact CB-CB 4.22Å; L219-L224 HydrophobicContact CD2-CB 4.22Å; L219-L224 HydrophobicContact CD2-CD1 3.59Å; L219-L224 PolarHBondContact O-N 2.92Å; H222-L224 PolarHBondContact O-N 3.33Å; L224-T226 PolarHBondContact O-N 3.42Å
225	R	89.5	Confident	87.1	Confident	75 Å²	75	19.9 Å²	19.9	28%	0.283	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-61.6	129.3	173.6	-73.1	-177.5	-179.2	-178.8	2.8	109.3	Y106 T194 G283 A285	Y106-R225 HydrophobicContact CD1-CG 4.38Å; Y106-R225 HydrophobicContact CD2-CB 4.29Å; Y106-R225 HydrophobicContact CD2-CG 3.5Å; Y106-R225 HydrophobicContact CE2-CG 3.87Å; Y106-R225 HydrophobicContact CG-CG 3.78Å; T194-R225 HydrophobicContact CG2-CG 4.46Å; R225-G283 PolarHBondContact NH1-O 3.28Å; R225-A285 HydrophobicContact CB-CB 4.3Å
226	T	91.1	Very high	86.1	Confident	4 Å²	4	28.4 Å²	28.4	3%	0.025	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-68.8	128.3	174	44.1	0	0	0	0	109.2	I157 I162 L220 L224	I157-T226 WeakPolarHBondContact CD1-O 3.25Å; I162-T226 HydrophobicContact CD1-CG2 4.42Å; I162-T226 HydrophobicContact CG1-CG2 4.2Å; L220-T226 HydrophobicContact CB-CG2 3.86Å; L220-T226 HydrophobicContact CD1-CG2 3.94Å; L220-T226 HydrophobicContact CG-CG2 4.41Å; L224-T226 PolarHBondContact O-N 3.42Å
227	P	93.2	Very high	85.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.013	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-82.9	149.5	-174.3	33.2	-34.8	0	0	0	111.9	Y202 I215 P216 L219 T229 A285	Y202-P227 HydrophobicContact CD2-CB 4.24Å; I215-P227 HydrophobicContact CG2-CG 4.48Å; P216-P227 HydrophobicContact CG-CG 4.2Å; L219-P227 HydrophobicContact CD1-CG 3.66Å; P227-T229 PolarHBondContact O-N 3.1Å; P227-T229 PolarHBondContact O-OG1 2.72Å; P227-A285 CarbonylContact C-O 3.32Å; P227-A285 VanDerWaalsContact CA-O 3.25Å; P227-A285 WeakPolarHBondContact CA-O 3.19Å; P227-A285 HydrophobicContact CB-CB 3.98Å
228	Y	93.6	Very high	85	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117.6	160.4	-78.1	-95	0	0	0	109	S108 R113 I157 G248 I250 L279 Q284 A285 L286 S287	S108-Y228 WeakPolarHBondContact CB-OH 3.24Å; S108-Y228 PolarHBondContact OG-OH 3.05Å; R113-Y228 PolarHBondContact NH2-OH 2.92Å; I157-Y228 HydrophobicContact CD1-CD2 3.88Å; I157-Y228 HydrophobicContact CD1-CE2 3.56Å; I157-Y228 HydrophobicContact CG1-CE1 4.32Å; I157-Y228 HydrophobicContact CG1-CE2 4.01Å; Y228-G248 CarbonylContact C-O 3.57Å; Y228-G248 WeakPolarHBondContact CA-O 3.31Å; Y228-I250 HydrophobicContact CD1-CG1 4.45Å; Y228-L279 HydrophobicContact CD1-CD1 4.32Å; Y228-L279 HydrophobicContact CD1-CD2 4.26Å; Y228-L279 HydrophobicContact CD2-CD2 3.92Å; Y228-L279 HydrophobicContact CE1-CD2 4.02Å; Y228-L279 HydrophobicContact CE2-CD2 3.67Å; Y228-L279 HydrophobicContact CG-CD1 4.18Å; Y228-L279 HydrophobicContact CG-CD2 4.21Å; Y228-Q284 HydrophobicContact CD2-CB 3.86Å; Y228-Q284 HydrophobicContact CD2-CG 4.3Å; Y228-Q284 HydrophobicContact CE2-CB 3.83Å; Y228-Q284 HydrophobicContact CE2-CG 3.74Å; Y228-A285 PolarHBondContact N-O 3.1Å; Y228-L286 CarbonylContact O-C 3.45Å; Y228-L286 WeakPolarHBondContact O-CA 3.32Å; Y228-S287 PolarHBondContact O-N 2.87Å
229	T	91.3	Very high	84.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.5	-170.4	-55.5	0	0	0	0	110.8	C212 P216 P227 C231 G248 V249 I250 S287	C212-T229 HydrophobicContact CB-CG2 3.81Å; P216-T229 VanDerWaalsContact CG-OG1 3.31Å; P216-T229 WeakPolarHBondContact CG-OG1 3.26Å; P227-T229 PolarHBondContact O-N 3.1Å; P227-T229 PolarHBondContact O-OG1 2.72Å; T229-C231 PolarHBondContact O-N 2.97Å; T229-G248 PolarHBondContact N-O 2.77Å; T229-V249 WeakPolarHBondContact O-CA 3.34Å; T229-I250 PolarHBondContact O-N 3.23Å; T229-S287 VanDerWaalsContact CA-OG 3.31Å; T229-S287 WeakPolarHBondContact CA-OG 3.35Å; T229-S287 WeakPolarHBondContact CB-OG 3.26Å; T229-S287 WeakPolarHBondContact CG2-OG 3.43Å; T229-S287 PolarHBondContact OG1-OG 2.82Å
230	V	86.6	Confident	84.1	Confident	12 Å²	12	44.1 Å²	44.1	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	115.1	171.9	-177.5	0	0	0	0	108.4	I250 S287 V288 W300	V230-I250 HydrophobicContact CG2-CD1 4.42Å; V230-S287 PolarHBondContact N-O 2.82Å; V230-V288 HydrophobicContact CG2-CG2 4.31Å; V230-W300 HydrophobicContact CB-CZ2 4.4Å; V230-W300 HydrophobicContact CG1-CD2 4.31Å; V230-W300 HydrophobicContact CG1-CH2 4.43Å; V230-W300 HydrophobicContact CG1-CZ2 3.7Å; V230-W300 HydrophobicContact CG2-CD2 3.86Å; V230-W300 HydrophobicContact CG2-CE3 3.87Å; V230-W300 HydrophobicContact CG2-CH2 3.66Å; V230-W300 HydrophobicContact CG2-CZ2 3.75Å; V230-W300 HydrophobicContact CG2-CZ3 3.75Å
231	C	79.1	Confident	83.8	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	111.4	-175.3	-167.1	0	0	0	0	110.1	C212 T229 L233 V249 I250 L251	C212-C231 HydrophobicContact CB-CB 4.4Å; C212-C231 PolarHBondContact SG-SG 3.04Å; T229-C231 PolarHBondContact O-N 2.97Å; C231-L233 PolarHBondContact O-N 3.35Å; C231-L233 WeakPolarHBondContact SG-CD1 3.49Å; C231-L233 WeakPolarHBondContact SG-CG 3.41Å; C231-V249 HydrophobicContact CB-CG1 3.51Å; C231-I250 PolarHBondContact N-O 3.1Å; C231-L251 HydrophobicContact CB-CD2 4.35Å
232	P	70.9	Confident	83.5	Confident	44 Å²	44	47.5 Å²	47.5	29%	0.286	25%	0.251	S	S	.	.			trans	-81.3	41.5	-177.9	37	-39	0	0	0	111.9	L252	P232-L252 VanDerWaalsContact CA-CD1 3.46Å; P232-L252 HydrophobicContact CB-CD1 3.62Å
233	L	70.5	Confident	83.5	Confident	55 Å²	55	48 Å²	48	29%	0.288	26%	0.255	S	S	.	.			trans	-94.5	130.1	179.4	-72.5	174.9	0	0	0	111.1	A209 C231 V235 V333	A209-L233 HydrophobicContact CB-CD1 4.24Å; A209-L233 HydrophobicContact CB-CD2 3.97Å; C231-L233 PolarHBondContact O-N 3.35Å; C231-L233 WeakPolarHBondContact SG-CD1 3.49Å; C231-L233 WeakPolarHBondContact SG-CG 3.41Å; L233-V235 HydrophobicContact CB-CG2 4.44Å; L233-V235 PolarHBondContact O-N 2.95Å; L233-V333 HydrophobicContact CD2-CG1 4.28Å
234	H	71.3	Confident	83.5	Confident	94 Å²	94	48 Å²	48	44%	0.435	25%	0.251	S	S	.	.			trans	-83.7	95.1	172.2	-64.7	81.3	0	0	0	111.1	A256 A257	H234-A256 PolarHBondContact NE2-O 3.26Å; H234-A257 PolarHBondContact CE1-O 3.23Å; H234-A257 PolarHBondContact NE2-O 2.89Å
235	V	73.8	Confident	83.4	Confident	34 Å²	34	48.8 Å²	48.8	21%	0.206	25%	0.254	C	S	.	.			trans	-93.4	107.1	175.6	-175.8	0	0	0	0	109.7	L233 S237 L240 L244 L251	L233-V235 HydrophobicContact CB-CG2 4.44Å; L233-V235 PolarHBondContact O-N 2.95Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 2.99Å; V235-L240 HydrophobicContact CG1-CB 3.74Å; V235-L244 HydrophobicContact CG2-CD1 3.96Å; V235-L251 HydrophobicContact CG2-CD2 4.44Å
236	K	73	Confident	83.4	Confident	181 Å²	181	50.1 Å²	50.1	79%	0.787	26%	0.262	S	S	*	.			trans	-69.7	-24	178.4	-65.9	178.4	179.4	167.4	0	113.7	G337	K236-G337 PolarHBondContact NZ-O 3.03Å
237	S	80.5	Confident	83.4	Confident	51 Å²	51	51 Å²	51	36%	0.357	27%	0.267	S	S	.	.			trans	-83.7	116.9	-178.5	177.2	0	0	0	0	111.6	V235 F239 L240 R241	V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 2.99Å; S237-F239 VanDerWaalsContact C-N 3.28Å; S237-F239 PolarHBondContact O-N 3.2Å; S237-L240 PolarHBondContact O-N 3.39Å; S237-R241 WeakPolarHBondContact O-CB 3.43Å; S237-R241 PolarHBondContact O-N 3.22Å
238	S	82.9	Confident	83.2	Confident	101 Å²	101	51 Å²	51	71%	0.706	27%	0.267	S	S	*	.	H	α-helix	trans	-60.6	-34.7	178.2	-46.2	0	0	0	0	113.2	S242	S238-S242 WeakPolarHBondContact O-CB 3.24Å; S238-S242 PolarHBondContact O-N 3.44Å
239	F	84.2	Confident	83	Confident	148 Å²	148	51.8 Å²	51.8	65%	0.649	27%	0.272	S	S	*	.	H	α-helix	trans	-64.9	-50.6	176.3	173.7	-99.9	0	0	0	111.5	S237 R241 S242 V243	S237-F239 VanDerWaalsContact C-N 3.28Å; S237-F239 PolarHBondContact O-N 3.2Å; F239-R241 VanDerWaalsContact C-N 3.31Å; F239-R241 PolarHBondContact O-N 3.21Å; F239-S242 PolarHBondContact O-N 3.05Å; F239-V243 HydrophobicContact CD1-CG2 4.43Å; F239-V243 HydrophobicContact CE1-CG2 4Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CZ-CG2 3.85Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.85Å
240	L	83.2	Confident	82.9	Confident	52 Å²	52	51.8 Å²	51.8	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-40	178.7	-69.6	176.4	0	0	0	111.4	V235 S237 V243 L244 V341	V235-L240 HydrophobicContact CG1-CB 3.74Å; S237-L240 PolarHBondContact O-N 3.39Å; L240-V243 PolarHBondContact O-N 2.97Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.25Å; L240-L244 PolarHBondContact O-N 3.36Å; L240-V341 HydrophobicContact CD1-CB 3.77Å; L240-V341 HydrophobicContact CD1-CG1 4.17Å; L240-V341 HydrophobicContact CD1-CG2 3.69Å
241	R	85.7	Confident	82.8	Confident	28 Å²	28	51.3 Å²	51.3	11%	0.106	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-51.9	173.5	179.1	167.6	-170.3	108.6	4.8	111.3	S237 F239 V243 L244 E245 L251 L252	S237-R241 WeakPolarHBondContact O-CB 3.43Å; S237-R241 PolarHBondContact O-N 3.22Å; F239-R241 VanDerWaalsContact C-N 3.31Å; F239-R241 PolarHBondContact O-N 3.21Å; R241-V243 VanDerWaalsContact C-N 3.32Å; R241-V243 PolarHBondContact O-N 3.39Å; R241-L244 PolarHBondContact O-N 3.08Å; R241-E245 HydrophobicContact CG-CG 4.36Å; R241-E245 VanDerWaalsContact CG-OE1 3.25Å; R241-E245 WeakPolarHBondContact CG-OE1 3.43Å; R241-E245 IonicContact CZ-OE1 3.38Å; R241-E245 IonicContact NE-OE1 3.16Å; R241-E245 PolarHBondContact NE-OE1 3.07Å; R241-E245 IonicContact NH2-OE1 2.69Å; R241-E245 PolarHBondContact NH2-OE1 2.91Å; R241-E245 WeakPolarHBondContact O-CB 3.33Å; R241-E245 VanDerWaalsContact O-CG 3.28Å; R241-E245 WeakPolarHBondContact O-CG 3.5Å; R241-E245 PolarHBondContact O-N 3.48Å; R241-L251 HydrophobicContact CB-CD1 4.29Å; R241-L251 HydrophobicContact CG-CD1 3.77Å; R241-L251 PolarHBondContact NH2-O 3.42Å; R241-L252 PolarHBondContact NH1-O 3.26Å; R241-L252 PolarHBondContact NH2-O 3.44Å; R241-L252 VanDerWaalsContact NH2-O 3.13Å
242	S	86.3	Confident	83	Confident	48 Å²	48	51.5 Å²	51.5	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-38.1	178.1	-172.6	0	0	0	0	113	S238 F239 K246	S238-S242 WeakPolarHBondContact O-CB 3.24Å; S238-S242 PolarHBondContact O-N 3.44Å; F239-S242 PolarHBondContact O-N 3.05Å; S242-K246 WeakPolarHBondContact O-CB 3.28Å; S242-K246 WeakPolarHBondContact O-CG 3.46Å; S242-K246 PolarHBondContact O-N 2.87Å
243	V	88.1	Confident	83.4	Confident	23 Å²	23	50 Å²	50	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-46.8	175.5	169.8	0	0	0	0	110.9	L161 M165 F239 L240 R241 K246 V247	L161-V243 HydrophobicContact CD1-CG1 4.41Å; L161-V243 HydrophobicContact CD2-CG1 4.24Å; M165-V243 HydrophobicContact CE-CG1 4.24Å; M165-V243 HydrophobicContact SD-CG1 4.07Å; F239-V243 HydrophobicContact CD1-CG2 4.43Å; F239-V243 HydrophobicContact CE1-CG2 4Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CZ-CG2 3.85Å; F239-V243 WeakPolarHBondContact O-CG2 3.39Å; F239-V243 PolarHBondContact O-N 2.85Å; L240-V243 PolarHBondContact O-N 2.97Å; R241-V243 VanDerWaalsContact C-N 3.32Å; R241-V243 PolarHBondContact O-N 3.39Å; V243-K246 PolarHBondContact O-N 2.76Å; V243-V247 WeakPolarHBondContact O-CG2 3.25Å; V243-V247 PolarHBondContact O-N 3.32Å
244	L	88.5	Confident	83.5	Confident	47 Å²	47	51.4 Å²	51.4	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-42.6	179.2	-71.2	172	0	0	0	111.6	V235 L240 R241 K246 V247 G248 V249 L251	V235-L244 HydrophobicContact CG2-CD1 3.96Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.25Å; L240-L244 PolarHBondContact O-N 3.36Å; R241-L244 PolarHBondContact O-N 3.08Å; L244-K246 VanDerWaalsContact C-N 3.32Å; L244-K246 PolarHBondContact O-N 3.28Å; L244-V247 CarbonylContact O-C 3.59Å; L244-V247 WeakPolarHBondContact O-CA 3.46Å; L244-V247 WeakPolarHBondContact O-CB 3.41Å; L244-V247 PolarHBondContact O-N 2.9Å; L244-G248 PolarHBondContact O-N 3.48Å; L244-V249 HydrophobicContact CB-CB 4.02Å; L244-V249 HydrophobicContact CB-CG2 4.26Å; L244-V249 HydrophobicContact CD2-CG2 4.19Å; L244-V249 WeakPolarHBondContact O-CB 3.47Å; L244-V249 WeakPolarHBondContact O-CG2 3.13Å; L244-V249 PolarHBondContact O-N 3.21Å; L244-L251 HydrophobicContact CB-CD1 4.04Å; L244-L251 HydrophobicContact CD1-CD1 4.16Å
245	E	88.8	Confident	83.5	Confident	18 Å²	18	53.6 Å²	53.6	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-37.9	176.1	-71.9	168.3	172.5	0	0	112	T155 C156 R241 V247 G248 L251	T155-E245 HydrophobicContact CG2-CB 3.92Å; T155-E245 HydrophobicContact CG2-CG 3.89Å; C156-E245 PolarHBondContact N-O 3.23Å; R241-E245 HydrophobicContact CG-CG 4.36Å; R241-E245 VanDerWaalsContact CG-OE1 3.25Å; R241-E245 WeakPolarHBondContact CG-OE1 3.43Å; R241-E245 IonicContact CZ-OE1 3.38Å; R241-E245 IonicContact NE-OE1 3.16Å; R241-E245 PolarHBondContact NE-OE1 3.07Å; R241-E245 IonicContact NH2-OE1 2.69Å; R241-E245 PolarHBondContact NH2-OE1 2.91Å; R241-E245 WeakPolarHBondContact O-CB 3.33Å; R241-E245 VanDerWaalsContact O-CG 3.28Å; R241-E245 WeakPolarHBondContact O-CG 3.5Å; R241-E245 PolarHBondContact O-N 3.48Å; E245-V247 PolarHBondContact O-N 3.48Å; E245-G248 PolarHBondContact O-N 2.92Å; E245-L251 HydrophobicContact CG-CD1 4.41Å
246	K	89.7	Confident	83.5	Confident	103 Å²	103	52.5 Å²	52.5	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.7	174	-74.4	-178.1	179.2	178.7	0	114.6	C156 S158 L161 S242 V243 L244	C156-K246 CarbonylContact O-C 3.49Å; C156-K246 WeakPolarHBondContact O-CA 3.34Å; S158-K246 WeakPolarHBondContact CB-O 3.19Å; S158-K246 PolarHBondContact N-O 2.8Å; L161-K246 HydrophobicContact CD2-CB 3.39Å; L161-K246 HydrophobicContact CD2-CD 4.34Å; S242-K246 WeakPolarHBondContact O-CB 3.28Å; S242-K246 WeakPolarHBondContact O-CG 3.46Å; S242-K246 PolarHBondContact O-N 2.87Å; V243-K246 PolarHBondContact O-N 2.76Å; L244-K246 VanDerWaalsContact C-N 3.32Å; L244-K246 PolarHBondContact O-N 3.28Å
247	V	89.8	Confident	83.2	Confident	22 Å²	22	47 Å²	47	13%	0.133	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-101.7	-1.5	173.1	175.3	0	0	0	0	110.6	C156 L161 I162 M165 V243 L244 E245	C156-V247 PolarHBondContact O-N 3.28Å; L161-V247 HydrophobicContact CD2-CG2 3.74Å; L161-V247 HydrophobicContact CG-CG2 3.76Å; I162-V247 HydrophobicContact CD1-CG1 3.55Å; M165-V247 HydrophobicContact CB-CG2 4.4Å; M165-V247 HydrophobicContact CG-CG2 3.86Å; V243-V247 WeakPolarHBondContact O-CG2 3.25Å; V243-V247 PolarHBondContact O-N 3.32Å; L244-V247 CarbonylContact O-C 3.59Å; L244-V247 WeakPolarHBondContact O-CA 3.46Å; L244-V247 WeakPolarHBondContact O-CB 3.41Å; L244-V247 PolarHBondContact O-N 2.9Å; E245-V247 PolarHBondContact O-N 3.48Å
248	G	88.8	Confident	82.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	16.8	-179.3	0	0	0	0	0	114.2	C156 Y228 T229 L244 E245	C156-G248 PolarHBondContact O-N 3.4Å; C156-G248 VanDerWaalsContact O-N 3.16Å; Y228-G248 CarbonylContact C-O 3.57Å; Y228-G248 WeakPolarHBondContact CA-O 3.31Å; T229-G248 PolarHBondContact N-O 2.77Å; L244-G248 PolarHBondContact O-N 3.48Å; E245-G248 PolarHBondContact O-N 2.92Å
249	V	90.7	Very high	82.7	Confident	17 Å²	17	42.9 Å²	42.9	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.9	175.5	-174	0	0	0	0	109.7	T229 C231 L244 L251	T229-V249 WeakPolarHBondContact O-CA 3.34Å; C231-V249 HydrophobicContact CB-CG1 3.51Å; L244-V249 HydrophobicContact CB-CB 4.02Å; L244-V249 HydrophobicContact CB-CG2 4.26Å; L244-V249 HydrophobicContact CD2-CG2 4.19Å; L244-V249 WeakPolarHBondContact O-CB 3.47Å; L244-V249 WeakPolarHBondContact O-CG2 3.13Å; L244-V249 PolarHBondContact O-N 3.21Å; V249-L251 HydrophobicContact CG1-CD2 3.89Å; V249-L251 HydrophobicContact CG1-CG 4.07Å
250	I	89.1	Confident	82.3	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.4	174.6	-61.1	177.3	0	0	0	107.2	L152 Y228 T229 V230 C231 M272 L279 W300	L152-I250 HydrophobicContact CD1-CB 4.29Å; L152-I250 HydrophobicContact CD1-CG2 3.45Å; L152-I250 VanDerWaalsContact CD1-CG2 3.45Å; L152-I250 HydrophobicContact CG-CG2 4.3Å; Y228-I250 HydrophobicContact CD1-CG1 4.45Å; T229-I250 PolarHBondContact O-N 3.23Å; V230-I250 HydrophobicContact CG2-CD1 4.42Å; C231-I250 PolarHBondContact N-O 3.1Å; I250-M272 HydrophobicContact CG2-CE 3.8Å; I250-L279 HydrophobicContact CD1-CD1 4.26Å; I250-W300 HydrophobicContact CD1-CH2 4.21Å; I250-W300 HydrophobicContact CG2-CH2 3.92Å; I250-W300 HydrophobicContact CG2-CZ2 4.28Å
251	L	85.2	Confident	82	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144	-177.5	-67.1	168.3	0	0	0	111	L152 C231 V235 R241 L244 E245 V249	L152-L251 VanDerWaalsContact CD1-O 3.23Å; L152-L251 WeakPolarHBondContact CD1-O 3.35Å; C231-L251 HydrophobicContact CB-CD2 4.35Å; V235-L251 HydrophobicContact CG2-CD2 4.44Å; R241-L251 HydrophobicContact CB-CD1 4.29Å; R241-L251 HydrophobicContact CG-CD1 3.77Å; R241-L251 PolarHBondContact NH2-O 3.42Å; L244-L251 HydrophobicContact CB-CD1 4.04Å; L244-L251 HydrophobicContact CD1-CD1 4.16Å; E245-L251 HydrophobicContact CG-CD1 4.41Å; V249-L251 HydrophobicContact CG1-CD2 3.89Å; V249-L251 HydrophobicContact CG1-CG 4.07Å
252	L	81.6	Confident	81.7	Confident	11 Å²	11	40 Å²	40	6%	0.058	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.7	151.1	174	-76	162.1	0	0	0	111.7	P232 R241 E259 A262	P232-L252 VanDerWaalsContact CA-CD1 3.46Å; P232-L252 HydrophobicContact CB-CD1 3.62Å; R241-L252 PolarHBondContact NH1-O 3.26Å; R241-L252 PolarHBondContact NH2-O 3.44Å; R241-L252 VanDerWaalsContact NH2-O 3.13Å; L252-E259 HydrophobicContact CD1-CB 4.25Å; L252-E259 HydrophobicContact CD2-CB 4.25Å; L252-E259 HydrophobicContact CD2-CG 4.42Å; L252-A262 HydrophobicContact CD2-CB 3.69Å
253	P	79.7	Confident	81.4	Confident	13 Å²	13	38 Å²	38	8%	0.084	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-56.9	143.8	173	-21.2	32.7	0	0	0	110.9	L149 N255 A256 Y268	L149-P253 HydrophobicContact CD2-CG 4.05Å; P253-N255 PolarHBondContact O-N 3.26Å; P253-N255 VanDerWaalsContact O-N 3.14Å; P253-A256 PolarHBondContact O-N 3.41Å; P253-Y268 HydrophobicContact CG-CD2 3.46Å; P253-Y268 VanDerWaalsContact CG-CD2 3.46Å; P253-Y268 HydrophobicContact CG-CE2 3.5Å; P253-Y268 VanDerWaalsContact CG-CE2 3.5Å; P253-Y268 HydrophobicContact CG-CG 4.43Å
254	P	73.1	Confident	80.9	Confident	84 Å²	84	40.9 Å²	40.9	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.3	-177.7	25.4	-34	0	0	0	113.6
255	N	71.1	Confident	80.7	Confident	139 Å²	139	42.1 Å²	42.1	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.2	-175.8	-60.9	-6.5	0	0	0	113.5	P253	P253-N255 PolarHBondContact O-N 3.26Å; P253-N255 VanDerWaalsContact O-N 3.14Å
256	A	72.8	Confident	80.4	Confident	11 Å²	11	45.7 Å²	45.7	9%	0.091	26%	0.259	C	S	.	.			trans	-92.4	124.1	-179.5	0	0	0	0	0	109.7	H234 P253 A262	H234-A256 PolarHBondContact NE2-O 3.26Å; P253-A256 PolarHBondContact O-N 3.41Å; A256-A262 HydrophobicContact CB-CB 3.7Å
257	A	67.9	Low	80.1	Confident	66 Å²	66	41.3 Å²	41.3	55%	0.545	24%	0.24	S	C	.	.	S	Bend	trans	-77.6	-29.9	179.1	0	0	0	0	0	111.4	H234 E261	H234-A257 PolarHBondContact CE1-O 3.23Å; H234-A257 PolarHBondContact NE2-O 2.89Å; A257-E261 WeakPolarHBondContact CA-OE2 3.33Å; A257-E261 VanDerWaalsContact CB-OE2 3.28Å; A257-E261 WeakPolarHBondContact CB-OE2 3.46Å; A257-E261 PolarHBondContact N-OE2 2.76Å
258	T	74.6	Confident	79.9	Confident	55 Å²	55	40.5 Å²	40.5	34%	0.337	24%	0.235	S	C	.	.	S	Bend	trans	-128.4	157.7	179.4	63.4	0	0	0	0	112.7	L260 E261 A262	T258-L260 PolarHBondContact O-N 2.89Å; T258-E261 PolarHBondContact N-OE2 3.17Å; T258-E261 PolarHBondContact O-N 3.45Å; T258-E261 WeakPolarHBondContact OG1-CB 3.18Å; T258-E261 WeakPolarHBondContact OG1-CG 3.47Å; T258-E261 PolarHBondContact OG1-N 3.31Å; T258-E261 PolarHBondContact OG1-OE1 3.2Å; T258-A262 PolarHBondContact O-N 2.92Å; T258-A262 VanDerWaalsContact O-N 3.14Å
259	E	77.1	Confident	79.8	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-36.3	173.4	179.7	-177.3	158.2	0	0	110.5	R206 L252 A262 E263 H296 G297	R206-E259 IonicContact CZ-OE2 2.65Å; R206-E259 IonicContact NH1-OE2 3.81Å; R206-E259 PolarHBondContact NH1-OE2 3.35Å; R206-E259 IonicContact NH2-OE1 2.72Å; R206-E259 PolarHBondContact NH2-OE1 2.82Å; R206-E259 IonicContact NH2-OE2 3.36Å; R206-E259 PolarHBondContact NH2-OE2 3.05Å; L252-E259 HydrophobicContact CD1-CB 4.25Å; L252-E259 HydrophobicContact CD2-CB 4.25Å; L252-E259 HydrophobicContact CD2-CG 4.42Å; E259-A262 PolarHBondContact O-N 3.11Å; E259-E263 HydrophobicContact CG-CG 4.49Å; E259-E263 WeakPolarHBondContact O-CB 3.39Å; E259-E263 WeakPolarHBondContact O-CG 3.39Å; E259-E263 PolarHBondContact O-N 2.93Å; E259-H296 WeakPolarHBondContact OE2-CB 3.3Å; E259-H296 IonicContact OE2-CD2 3.59Å; E259-H296 IonicContact OE2-CG 3.72Å; E259-G297 WeakPolarHBondContact OE1-CA 3.48Å; E259-G297 PolarHBondContact OE1-N 3.47Å
260	L	76.2	Confident	79.7	Confident	72 Å²	72	41.4 Å²	41.4	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-46.6	175.3	-176.7	59.6	0	0	0	112.6	T258 A262 E263 M264 P411	T258-L260 PolarHBondContact O-N 2.89Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.28Å; L260-E263 PolarHBondContact O-N 3.29Å; L260-M264 WeakPolarHBondContact O-CG 3.23Å; L260-M264 PolarHBondContact O-N 3.47Å; L260-P411 HydrophobicContact CD1-CB 3.78Å; L260-P411 HydrophobicContact CD1-CG 3.75Å
261	E	77.6	Confident	79.7	Confident	92 Å²	92	41.2 Å²	41.2	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-41.7	176.4	-78.2	159.9	-140.1	0	0	112.3	A257 T258 M264 D265	A257-E261 WeakPolarHBondContact CA-OE2 3.33Å; A257-E261 VanDerWaalsContact CB-OE2 3.28Å; A257-E261 WeakPolarHBondContact CB-OE2 3.46Å; A257-E261 PolarHBondContact N-OE2 2.76Å; T258-E261 PolarHBondContact N-OE2 3.17Å; T258-E261 PolarHBondContact O-N 3.45Å; T258-E261 WeakPolarHBondContact OG1-CB 3.18Å; T258-E261 WeakPolarHBondContact OG1-CG 3.47Å; T258-E261 PolarHBondContact OG1-N 3.31Å; T258-E261 PolarHBondContact OG1-OE1 3.2Å; E261-M264 PolarHBondContact O-N 3.1Å; E261-D265 PolarHBondContact O-N 2.9Å
262	A	79.6	Confident	79.8	Confident	3 Å²	3	41.2 Å²	41.2	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-46.3	175.9	0	0	0	0	0	110.9	L252 A256 T258 E259 L260 M264 D265 Y268	L252-A262 HydrophobicContact CD2-CB 3.69Å; A256-A262 HydrophobicContact CB-CB 3.7Å; T258-A262 PolarHBondContact O-N 2.92Å; T258-A262 VanDerWaalsContact O-N 3.14Å; E259-A262 PolarHBondContact O-N 3.11Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.28Å; A262-M264 VanDerWaalsContact C-N 3.25Å; A262-M264 PolarHBondContact O-N 3.13Å; A262-D265 WeakPolarHBondContact O-CB 3.34Å; A262-D265 PolarHBondContact O-N 3.13Å; A262-D265 VanDerWaalsContact O-N 3.17Å; A262-Y268 VanDerWaalsContact C-CD1 3.44Å; A262-Y268 HydrophobicContact CB-CD1 4.09Å; A262-Y268 HydrophobicContact CB-CE1 3.87Å; A262-Y268 HydrophobicContact CB-CG 4.47Å; A262-Y268 WeakPolarHBondContact O-CB 3.45Å; A262-Y268 WeakPolarHBondContact O-CD1 3.32Å
263	E	80.1	Confident	80.3	Confident	7 Å²	7	41 Å²	41	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-25	-179.8	-64.9	-74.1	153.7	0	0	112.9	E259 L260 D265 Y268 Q299 R303 L413	E259-E263 HydrophobicContact CG-CG 4.49Å; E259-E263 WeakPolarHBondContact O-CB 3.39Å; E259-E263 WeakPolarHBondContact O-CG 3.39Å; E259-E263 PolarHBondContact O-N 2.93Å; L260-E263 PolarHBondContact O-N 3.29Å; E263-D265 VanDerWaalsContact C-N 3.32Å; E263-Y268 HydrophobicContact CG-CE1 4.36Å; E263-Y268 WeakPolarHBondContact OE1-CE1 3.37Å; E263-Q299 HydrophobicContact CG-CG 4.35Å; E263-Q299 WeakPolarHBondContact OE2-CG 3.49Å; E263-R303 IonicContact OE2-CZ 3.54Å; E263-R303 VanDerWaalsContact OE2-CZ 3.29Å; E263-R303 IonicContact OE2-NE 3.68Å; E263-R303 PolarHBondContact OE2-NE 2.92Å; E263-R303 IonicContact OE2-NH2 3.05Å; E263-R303 PolarHBondContact OE2-NH2 3.38Å; E263-L413 HydrophobicContact CB-CD2 4.43Å; E263-L413 VanDerWaalsContact O-CD2 3.24Å; E263-L413 WeakPolarHBondContact O-CD2 3.32Å
264	M	77.9	Confident	80.8	Confident	83 Å²	83	40.6 Å²	40.6	41%	0.409	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-24.9	173.1	-77.8	-171.5	65.5	0	0	113.7	L260 E261 A262 P266 L413	L260-M264 WeakPolarHBondContact O-CG 3.23Å; L260-M264 PolarHBondContact O-N 3.47Å; E261-M264 PolarHBondContact O-N 3.1Å; A262-M264 VanDerWaalsContact C-N 3.25Å; A262-M264 PolarHBondContact O-N 3.13Å; M264-P266 VanDerWaalsContact O-CD 3.23Å; M264-P266 WeakPolarHBondContact O-CD 3.28Å; M264-L413 HydrophobicContact CG-CD2 4.16Å
265	D	82.6	Confident	81.7	Confident	73 Å²	73	36.6 Å²	36.6	39%	0.39	21%	0.212	S	C	.	.	S	Bend	trans	-69.6	114.9	173.3	175.7	3.2	0	0	0	109.9	E261 A262 E263 L267 Y268 S269	E261-D265 PolarHBondContact O-N 2.9Å; A262-D265 WeakPolarHBondContact O-CB 3.34Å; A262-D265 PolarHBondContact O-N 3.13Å; A262-D265 VanDerWaalsContact O-N 3.17Å; E263-D265 VanDerWaalsContact C-N 3.32Å; D265-L267 PolarHBondContact O-N 3.49Å; D265-L267 WeakPolarHBondContact OD1-CB 3.43Å; D265-L267 PolarHBondContact OD1-N 3.47Å; D265-Y268 PolarHBondContact O-N 3.13Å; D265-S269 WeakPolarHBondContact O-CB 3.3Å; D265-S269 PolarHBondContact O-N 3.43Å
266	P	82.4	Confident	82.7	Confident	93 Å²	93	30 Å²	30	60%	0.604	18%	0.177	S	C	*	.	H	α-helix	trans	-58.9	-32.7	-179.9	-22.8	34.4	0	0	0	113.1	M264 A270	M264-P266 VanDerWaalsContact O-CD 3.23Å; M264-P266 WeakPolarHBondContact O-CD 3.28Å; P266-A270 WeakPolarHBondContact O-CB 3.19Å; P266-A270 PolarHBondContact O-N 3.5Å
267	L	85	Confident	83.6	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-50.3	179.9	179.9	62.8	0	0	0	110.8	A126 L127 L145 L149 D265 S269 A270 V271	A126-L267 HydrophobicContact CB-CD1 4.2Å; L127-L267 HydrophobicContact CD2-CD1 3.81Å; L127-L267 HydrophobicContact CD2-CD2 4.27Å; L127-L267 HydrophobicContact CG-CD1 3.8Å; L145-L267 HydrophobicContact CB-CD2 4.5Å; L149-L267 HydrophobicContact CD1-CD2 4.15Å; L149-L267 HydrophobicContact CD1-CG 3.92Å; D265-L267 PolarHBondContact O-N 3.49Å; D265-L267 WeakPolarHBondContact OD1-CB 3.43Å; D265-L267 PolarHBondContact OD1-N 3.47Å; L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 2.96Å; L267-A270 PolarHBondContact O-N 3.36Å; L267-V271 HydrophobicContact CD1-CG2 4.36Å; L267-V271 WeakPolarHBondContact O-CB 3.14Å; L267-V271 WeakPolarHBondContact O-CG2 3.46Å; L267-V271 PolarHBondContact O-N 2.96Å
268	Y	85.8	Confident	84.8	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-54.2	-48.6	173.1	175.3	-96.1	0	0	0	110.2	L149 L152 P253 A262 E263 D265 A270 V271 M272	L149-Y268 HydrophobicContact CD2-CD2 3.69Å; L149-Y268 HydrophobicContact CD2-CE2 4.49Å; L152-Y268 HydrophobicContact CD2-CD2 4.4Å; L152-Y268 HydrophobicContact CD2-CE2 3.73Å; P253-Y268 HydrophobicContact CG-CD2 3.46Å; P253-Y268 VanDerWaalsContact CG-CD2 3.46Å; P253-Y268 HydrophobicContact CG-CE2 3.5Å; P253-Y268 VanDerWaalsContact CG-CE2 3.5Å; P253-Y268 HydrophobicContact CG-CG 4.43Å; A262-Y268 VanDerWaalsContact C-CD1 3.44Å; A262-Y268 HydrophobicContact CB-CD1 4.09Å; A262-Y268 HydrophobicContact CB-CE1 3.87Å; A262-Y268 HydrophobicContact CB-CG 4.47Å; A262-Y268 WeakPolarHBondContact O-CB 3.45Å; A262-Y268 WeakPolarHBondContact O-CD1 3.32Å; E263-Y268 HydrophobicContact CG-CE1 4.36Å; E263-Y268 WeakPolarHBondContact OE1-CE1 3.37Å; D265-Y268 PolarHBondContact O-N 3.13Å; Y268-A270 PolarHBondContact O-N 3.02Å; Y268-V271 PolarHBondContact O-N 3.33Å; Y268-M272 HydrophobicContact CD1-CG 3.89Å; Y268-M272 HydrophobicContact CD2-CG 4Å; Y268-M272 HydrophobicContact CD2-SD 4.31Å; Y268-M272 HydrophobicContact CE1-CG 3.54Å; Y268-M272 HydrophobicContact CE2-CG 3.64Å; Y268-M272 HydrophobicContact CE2-SD 3.79Å; Y268-M272 HydrophobicContact CG-CG 4.13Å; Y268-M272 VanDerWaalsContact CZ-CG 3.41Å; Y268-M272 WeakPolarHBondContact O-CB 3.43Å; Y268-M272 VanDerWaalsContact O-CG 3.25Å; Y268-M272 WeakPolarHBondContact O-CG 3.48Å; Y268-M272 PolarHBondContact O-N 2.93Å
269	S	86.5	Confident	85.6	Confident	26 Å²	26	27.9 Å²	27.9	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-56	-48.8	177.8	179.8	0	0	0	0	112.6	D265 L267 V271 M272 T273 R303	D265-S269 WeakPolarHBondContact O-CB 3.3Å; D265-S269 PolarHBondContact O-N 3.43Å; L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 2.96Å; S269-V271 PolarHBondContact O-N 2.84Å; S269-M272 PolarHBondContact O-N 3.46Å; S269-T273 PolarHBondContact O-N 2.95Å; S269-T273 VanDerWaalsContact O-N 3.07Å; S269-T273 PolarHBondContact O-OG1 3.27Å; S269-R303 VanDerWaalsContact CA-NH2 3.25Å; S269-R303 VanDerWaalsContact CB-NH2 3.26Å; S269-R303 PolarHBondContact O-NH1 3.23Å; S269-R303 PolarHBondContact OG-NH1 2.91Å; S269-R303 VanDerWaalsContact OG-NH1 3.12Å; S269-R303 PolarHBondContact OG-NH2 2.87Å
270	A	87.1	Confident	86.3	Confident	11 Å²	11	27.7 Å²	27.7	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-40.7	179.1	0	0	0	0	0	112.7	R122 V123 A126 P266 L267 Y268 S274	R122-A270 HydrophobicContact CB-CB 4.23Å; V123-A270 HydrophobicContact CG2-CB 4.32Å; A126-A270 HydrophobicContact CB-CB 3.74Å; P266-A270 WeakPolarHBondContact O-CB 3.19Å; P266-A270 PolarHBondContact O-N 3.5Å; L267-A270 PolarHBondContact O-N 3.36Å; Y268-A270 PolarHBondContact O-N 3.02Å; A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 3.39Å; A270-S274 PolarHBondContact O-OG 2.55Å
271	V	89	Confident	86.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-45.6	177.4	170.2	0	0	0	0	110.8	V117 V123 L146 L149 I153 L267 Y268 S269 S274 L275	V117-V271 HydrophobicContact CG1-CG1 4.31Å; V123-V271 HydrophobicContact CG1-CG2 4.13Å; V123-V271 HydrophobicContact CG2-CG2 4.11Å; L146-V271 HydrophobicContact CD2-CG2 4.41Å; L149-V271 HydrophobicContact CD1-CB 4.36Å; L149-V271 HydrophobicContact CD1-CG2 4Å; I153-V271 HydrophobicContact CD1-CG1 3.76Å; I153-V271 HydrophobicContact CG1-CG1 3.7Å; L267-V271 HydrophobicContact CD1-CG2 4.36Å; L267-V271 WeakPolarHBondContact O-CB 3.14Å; L267-V271 WeakPolarHBondContact O-CG2 3.46Å; L267-V271 PolarHBondContact O-N 2.96Å; Y268-V271 PolarHBondContact O-N 3.33Å; S269-V271 PolarHBondContact O-N 2.84Å; V271-S274 PolarHBondContact O-N 3Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 PolarHBondContact O-N 3.26Å
272	M	89	Confident	87.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-41.9	-179.1	-65.5	-37.5	-73.7	0	0	112.9	L152 I250 Y268 S269 S274 L275 V276 W300	L152-M272 HydrophobicContact CD2-CE 3.84Å; L152-M272 HydrophobicContact CD2-SD 3.24Å; L152-M272 WeakPolarHBondContact CD2-SD 3.45Å; L152-M272 HydrophobicContact CG-CE 4.24Å; L152-M272 HydrophobicContact CG-SD 4.04Å; I250-M272 HydrophobicContact CG2-CE 3.8Å; Y268-M272 HydrophobicContact CD1-CG 3.89Å; Y268-M272 HydrophobicContact CD2-CG 4Å; Y268-M272 HydrophobicContact CD2-SD 4.31Å; Y268-M272 HydrophobicContact CE1-CG 3.54Å; Y268-M272 HydrophobicContact CE2-CG 3.64Å; Y268-M272 HydrophobicContact CE2-SD 3.79Å; Y268-M272 HydrophobicContact CG-CG 4.13Å; Y268-M272 VanDerWaalsContact CZ-CG 3.41Å; Y268-M272 WeakPolarHBondContact O-CB 3.43Å; Y268-M272 VanDerWaalsContact O-CG 3.25Å; Y268-M272 WeakPolarHBondContact O-CG 3.48Å; Y268-M272 PolarHBondContact O-N 2.93Å; S269-M272 PolarHBondContact O-N 3.46Å; M272-S274 VanDerWaalsContact C-N 3.28Å; M272-S274 PolarHBondContact O-N 3.28Å; M272-L275 HydrophobicContact CE-CD2 3.91Å; M272-L275 PolarHBondContact O-N 2.83Å; M272-L275 HydrophobicContact SD-CD2 4.34Å; M272-V276 WeakPolarHBondContact O-CB 3.24Å; M272-V276 VanDerWaalsContact O-CG2 3.28Å; M272-V276 WeakPolarHBondContact O-CG2 3.45Å; M272-V276 PolarHBondContact O-N 3.13Å; M272-W300 HydrophobicContact CE-CH2 3.09Å; M272-W300 HydrophobicContact CE-CZ2 3.59Å; M272-W300 HydrophobicContact CE-CZ3 4.06Å
273	T	90.7	Very high	87.9	Confident	8 Å²	8	27.3 Å²	27.3	5%	0.049	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-42.5	173.6	-68.2	0	0	0	0	111.3	S269 R277 R303 L307	S269-T273 PolarHBondContact O-N 2.95Å; S269-T273 VanDerWaalsContact O-N 3.07Å; S269-T273 PolarHBondContact O-OG1 3.27Å; T273-R277 PolarHBondContact O-N 3.46Å; T273-R277 VanDerWaalsContact O-N 3.07Å; T273-R303 PolarHBondContact OG1-NH1 2.89Å; T273-L307 HydrophobicContact CG2-CD2 3.9Å; T273-L307 HydrophobicContact CG2-CG 4.32Å
274	S	91	Very high	88.4	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-42.3	179.8	-57.5	0	0	0	0	111.1	S120 A270 V271 M272 R277 E278	S120-S274 WeakPolarHBondContact CB-OG 3.29Å; S120-S274 PolarHBondContact OG-OG 3.4Å; A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 3.39Å; A270-S274 PolarHBondContact O-OG 2.55Å; V271-S274 PolarHBondContact O-N 3Å; M272-S274 VanDerWaalsContact C-N 3.28Å; M272-S274 PolarHBondContact O-N 3.28Å; S274-R277 WeakPolarHBondContact O-CB 3.23Å; S274-R277 PolarHBondContact O-N 3.26Å; S274-E278 WeakPolarHBondContact O-CG 3.48Å; S274-E278 PolarHBondContact O-N 2.91Å; S274-E278 VanDerWaalsContact O-N 3.1Å
275	L	90.9	Very high	89.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-46.6	175.9	177.9	60.6	0	0	0	112	L152 V271 M272 R277 E278 L279	L152-L275 HydrophobicContact CG-CD2 4.48Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 PolarHBondContact O-N 3.26Å; M272-L275 HydrophobicContact CE-CD2 3.91Å; M272-L275 PolarHBondContact O-N 2.83Å; M272-L275 HydrophobicContact SD-CD2 4.34Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 2.77Å; L275-E278 PolarHBondContact O-N 3.48Å; L275-L279 HydrophobicContact CD1-CD1 4.16Å; L275-L279 HydrophobicContact CD1-CG 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.12Å
276	V	92.1	Very high	89.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-41.4	177.3	171.2	0	0	0	0	111	M272 L279 L280 L286 W300 I304 L307	M272-V276 WeakPolarHBondContact O-CB 3.24Å; M272-V276 VanDerWaalsContact O-CG2 3.28Å; M272-V276 WeakPolarHBondContact O-CG2 3.45Å; M272-V276 PolarHBondContact O-N 3.13Å; V276-L279 PolarHBondContact O-N 3.46Å; V276-L280 HydrophobicContact CG1-CD1 3.79Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CB 3.48Å; V276-L280 VanDerWaalsContact O-CG 3.27Å; V276-L280 WeakPolarHBondContact O-CG 3.36Å; V276-L280 PolarHBondContact O-N 2.61Å; V276-L286 HydrophobicContact CG1-CD1 4.46Å; V276-W300 HydrophobicContact CG2-CE3 3.71Å; V276-W300 HydrophobicContact CG2-CH2 4.45Å; V276-W300 HydrophobicContact CG2-CZ3 3.35Å; V276-I304 HydrophobicContact CG1-CG1 3.75Å; V276-L307 HydrophobicContact CB-CD1 4.31Å; V276-L307 HydrophobicContact CG1-CD1 3.88Å
277	R	93.1	Very high	90.3	Very high	78 Å²	78	16 Å²	16	29%	0.294	8%	0.081	S	C	.	.	H	α-helix	trans	-56.7	-51.6	175.6	-171.3	-170.5	86.6	159.2	5.8	111.5	T273 S274 L275 L280 H281 L307 V313	T273-R277 PolarHBondContact O-N 3.46Å; T273-R277 VanDerWaalsContact O-N 3.07Å; S274-R277 WeakPolarHBondContact O-CB 3.23Å; S274-R277 PolarHBondContact O-N 3.26Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 2.77Å; R277-L280 PolarHBondContact O-N 3.03Å; R277-H281 PolarHBondContact O-N 2.91Å; R277-L307 HydrophobicContact CB-CD1 3.99Å; R277-L307 HydrophobicContact CB-CD2 3.96Å; R277-L307 HydrophobicContact CG-CD2 4.09Å; R277-V313 HydrophobicContact CG-CG2 4.49Å
278	E	91.8	Very high	90.7	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-42.1	-178.6	-63.6	-55.9	128.1	0	0	111.7	R113 R116 V117 S274 L275 L280 H281 E282	R113-E278 HydrophobicContact CG-CB 4.24Å; R116-E278 WeakPolarHBondContact CD-OE2 3.46Å; R116-E278 IonicContact CZ-OE2 3.44Å; R116-E278 IonicContact NE-OE2 2.63Å; R116-E278 PolarHBondContact NE-OE2 3.28Å; R116-E278 IonicContact NH2-OE2 3.2Å; V117-E278 HydrophobicContact CG2-CG 4.07Å; S274-E278 WeakPolarHBondContact O-CG 3.48Å; S274-E278 PolarHBondContact O-N 2.91Å; S274-E278 VanDerWaalsContact O-N 3.1Å; L275-E278 PolarHBondContact O-N 3.48Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 2.84Å; E278-H281 PolarHBondContact O-N 2.84Å; E278-E282 WeakPolarHBondContact O-CB 3.49Å; E278-E282 VanDerWaalsContact O-CG 3.27Å; E278-E282 WeakPolarHBondContact O-CG 3.42Å; E278-E282 PolarHBondContact O-N 2.92Å
279	L	91.4	Very high	91	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-41	176.7	-71.2	175.1	0	0	0	112.3	Y228 I250 L275 V276 E282 G283 Q284 L286	Y228-L279 HydrophobicContact CD1-CD1 4.32Å; Y228-L279 HydrophobicContact CD1-CD2 4.26Å; Y228-L279 HydrophobicContact CD2-CD2 3.92Å; Y228-L279 HydrophobicContact CE1-CD2 4.02Å; Y228-L279 HydrophobicContact CE2-CD2 3.67Å; Y228-L279 HydrophobicContact CG-CD1 4.18Å; Y228-L279 HydrophobicContact CG-CD2 4.21Å; I250-L279 HydrophobicContact CD1-CD1 4.26Å; L275-L279 HydrophobicContact CD1-CD1 4.16Å; L275-L279 HydrophobicContact CD1-CG 4.18Å; L275-L279 HydrophobicContact CG-CD1 4.03Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.12Å; V276-L279 PolarHBondContact O-N 3.46Å; L279-E282 PolarHBondContact O-N 2.91Å; L279-G283 PolarHBondContact O-N 3.28Å; L279-Q284 HydrophobicContact CB-CB 4.41Å; L279-Q284 HydrophobicContact CD2-CB 4.37Å; L279-Q284 HydrophobicContact CD2-CG 4.15Å; L279-Q284 VanDerWaalsContact O-CB 3.31Å; L279-Q284 WeakPolarHBondContact O-CB 3.48Å; L279-Q284 PolarHBondContact O-N 2.83Å; L279-L286 HydrophobicContact CD1-CD2 3.99Å
280	L	91.9	Very high	91.2	Very high	7 Å²	7	14.2 Å²	14.2	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-69.6	-38.1	177.3	-70	173	0	0	0	112.1	P199 V201 V276 R277 E278 G283 L286 I304 V313 V316	P199-L280 HydrophobicContact CB-CD2 3.84Å; P199-L280 HydrophobicContact CG-CD2 4.18Å; V201-L280 HydrophobicContact CG2-CD2 4.39Å; V276-L280 HydrophobicContact CG1-CD1 3.79Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CB 3.48Å; V276-L280 VanDerWaalsContact O-CG 3.27Å; V276-L280 WeakPolarHBondContact O-CG 3.36Å; V276-L280 PolarHBondContact O-N 2.61Å; R277-L280 PolarHBondContact O-N 3.03Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 2.84Å; L280-G283 WeakPolarHBondContact O-CA 3.47Å; L280-G283 PolarHBondContact O-N 3.46Å; L280-L286 HydrophobicContact CD2-CD1 3.7Å; L280-L286 HydrophobicContact CG-CD1 4.04Å; L280-I304 HydrophobicContact CD1-CG1 4.28Å; L280-I304 HydrophobicContact CD1-CG2 4.16Å; L280-V313 HydrophobicContact CB-CG1 4.21Å; L280-V313 HydrophobicContact CB-CG2 4.05Å; L280-V313 HydrophobicContact CD1-CG1 4.25Å; L280-V313 HydrophobicContact CD1-CG2 4.05Å; L280-V316 HydrophobicContact CD1-CG2 4.13Å; L280-V316 HydrophobicContact CD2-CG1 4.48Å; L280-V316 HydrophobicContact CD2-CG2 4Å
281	H	89.8	Confident	91.2	Very high	103 Å²	103	14.5 Å²	14.5	48%	0.477	7%	0.073	S	C	.	.	H	α-helix	trans	-63.2	-39.6	173.3	-87.5	-152.2	0	0	0	112.9	R277 E278 G283 S312	R277-H281 PolarHBondContact O-N 2.91Å; E278-H281 PolarHBondContact O-N 2.84Å; H281-G283 PolarHBondContact O-N 3.29Å; H281-G283 VanDerWaalsContact O-N 3.16Å; H281-S312 PolarHBondContact NE2-O 3.04Å
282	E	88.4	Confident	90.7	Very high	42 Å²	42	15.8 Å²	15.8	20%	0.196	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.7	173.3	-70.5	171.9	-159.4	0	0	112.6	R113 R116 E278 L279 Q284	R113-E282 IonicContact CZ-OE1 3.48Å; R113-E282 IonicContact CZ-OE2 3.76Å; R113-E282 IonicContact NE-OE1 2.82Å; R113-E282 PolarHBondContact NE-OE1 3.2Å; R113-E282 IonicContact NE-OE2 3.94Å; R113-E282 IonicContact NH2-OE1 3.46Å; R113-E282 IonicContact NH2-OE2 2.72Å; R113-E282 PolarHBondContact NH2-OE2 3.36Å; R116-E282 IonicContact NH2-OE1 3.89Å; R116-E282 PolarHBondContact NH2-OE1 2.92Å; E278-E282 WeakPolarHBondContact O-CB 3.49Å; E278-E282 VanDerWaalsContact O-CG 3.27Å; E278-E282 WeakPolarHBondContact O-CG 3.42Å; E278-E282 PolarHBondContact O-N 2.92Å; L279-E282 PolarHBondContact O-N 2.91Å; E282-Q284 VanDerWaalsContact C-N 3.26Å; E282-Q284 HydrophobicContact CB-CG 3.86Å; E282-Q284 PolarHBondContact O-N 2.97Å
283	G	88.7	Confident	90.1	Very high	14 Å²	14	17.4 Å²	17.4	14%	0.144	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	23.6	-176.6	0	0	0	0	0	113.2	R225 L279 L280 H281	R225-G283 PolarHBondContact NH1-O 3.28Å; L279-G283 PolarHBondContact O-N 3.28Å; L280-G283 WeakPolarHBondContact O-CA 3.47Å; L280-G283 PolarHBondContact O-N 3.46Å; H281-G283 PolarHBondContact O-N 3.29Å; H281-G283 VanDerWaalsContact O-N 3.16Å
284	Q	91.1	Very high	89.3	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.056	10%	0.102	C	C	.	.			trans	-70.7	148.6	177.2	-58.4	-62	-29.6	0	0	110.4	Y228 L279 E282	Y228-Q284 HydrophobicContact CD2-CB 3.86Å; Y228-Q284 HydrophobicContact CD2-CG 4.3Å; Y228-Q284 HydrophobicContact CE2-CB 3.83Å; Y228-Q284 HydrophobicContact CE2-CG 3.74Å; L279-Q284 HydrophobicContact CB-CB 4.41Å; L279-Q284 HydrophobicContact CD2-CB 4.37Å; L279-Q284 HydrophobicContact CD2-CG 4.15Å; L279-Q284 VanDerWaalsContact O-CB 3.31Å; L279-Q284 WeakPolarHBondContact O-CB 3.48Å; L279-Q284 PolarHBondContact O-N 2.83Å; E282-Q284 VanDerWaalsContact C-N 3.26Å; E282-Q284 HydrophobicContact CB-CG 3.86Å; E282-Q284 PolarHBondContact O-N 2.97Å
285	A	93.4	Very high	88.7	Confident	3 Å²	3	18.7 Å²	18.7	3%	0.025	10%	0.103	C	C	.	.			trans	-83.1	149.6	171.3	0	0	0	0	0	109.9	L200 Y202 R225 P227 Y228	L200-A285 CarbonylContact O-C 2.84Å; L200-A285 VanDerWaalsContact O-CA 3.26Å; L200-A285 WeakPolarHBondContact O-CA 3.47Å; Y202-A285 HydrophobicContact CE2-CB 4.15Å; R225-A285 HydrophobicContact CB-CB 4.3Å; P227-A285 CarbonylContact C-O 3.32Å; P227-A285 VanDerWaalsContact CA-O 3.25Å; P227-A285 WeakPolarHBondContact CA-O 3.19Å; P227-A285 HydrophobicContact CB-CB 3.98Å; Y228-A285 PolarHBondContact N-O 3.1Å
286	L	95.1	Very high	88.3	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.5	176.1	-69.7	155.2	0	0	0	109.9	L200 V201 Y202 Y228 V276 L279 L280	L200-L286 PolarHBondContact O-N 2.97Å; V201-L286 CarbonylContact C-O 3.54Å; V201-L286 WeakPolarHBondContact CA-O 3.38Å; V201-L286 HydrophobicContact CG2-CB 4.16Å; V201-L286 HydrophobicContact CG2-CD1 4.26Å; Y202-L286 WeakPolarHBondContact CD2-O 3.32Å; Y202-L286 PolarHBondContact N-O 3.21Å; Y228-L286 CarbonylContact O-C 3.45Å; Y228-L286 WeakPolarHBondContact O-CA 3.32Å; V276-L286 HydrophobicContact CG1-CD1 4.46Å; L279-L286 HydrophobicContact CD1-CD2 3.99Å; L280-L286 HydrophobicContact CD2-CD1 3.7Å; L280-L286 HydrophobicContact CG-CD1 4.04Å
287	S	95	Very high	87.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.3	169.3	61.9	0	0	0	0	111.3	Y202 Y228 T229 V230	Y202-S287 CarbonylContact O-C 3.59Å; Y202-S287 VanDerWaalsContact O-CA 3.25Å; Y202-S287 WeakPolarHBondContact O-CA 3.46Å; Y228-S287 PolarHBondContact O-N 2.87Å; T229-S287 VanDerWaalsContact CA-OG 3.31Å; T229-S287 WeakPolarHBondContact CA-OG 3.35Å; T229-S287 WeakPolarHBondContact CB-OG 3.26Å; T229-S287 WeakPolarHBondContact CG2-OG 3.43Å; T229-S287 PolarHBondContact OG1-OG 2.82Å; V230-S287 PolarHBondContact N-O 2.82Å
288	V	93.5	Very high	87.5	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.2	-173.4	-178.2	0	0	0	0	109.4	Y202 V203 Y204 V230 W300	Y202-V288 PolarHBondContact O-N 2.66Å; V203-V288 WeakPolarHBondContact CA-O 3.43Å; Y204-V288 WeakPolarHBondContact CD1-O 3.31Å; Y204-V288 VanDerWaalsContact CE1-C 3.5Å; Y204-V288 PolarHBondContact N-O 3.37Å; V230-V288 HydrophobicContact CG2-CG2 4.31Å; V288-W300 HydrophobicContact CG1-CB 3.86Å; V288-W300 HydrophobicContact CG1-CG 4.36Å; V288-W300 HydrophobicContact CG2-CB 4.19Å
289	G	91.4	Very high	87.3	Confident	3 Å²	3	19 Å²	19	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.2	172.2	0	0	0	0	0	110.9	Y204 R206	Y204-G289 VanDerWaalsContact CZ-CA 3.48Å; Y204-G289 CarbonylContact O-C 3.51Å; Y204-G289 WeakPolarHBondContact O-CA 3.5Å; R206-G289 VanDerWaalsContact CZ-O 3.28Å; R206-G289 PolarHBondContact NE-O 3.37Å; R206-G289 PolarHBondContact NH2-O 3.34Å
290	V	90.7	Very high	87.1	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.5	176.7	-179.2	0	0	0	0	109.9	V203 Y204 R206 H296 L301 V434 I438	V203-V290 HydrophobicContact CG1-CG2 3.68Å; Y204-V290 PolarHBondContact O-N 2.64Å; R206-V290 PolarHBondContact N-O 2.94Å; V290-H296 WeakPolarHBondContact CA-O 3.25Å; V290-L301 HydrophobicContact CG2-CD1 3.88Å; V290-V434 HydrophobicContact CG1-CG1 3.85Å; V290-I438 HydrophobicContact CB-CG1 4.47Å; V290-I438 HydrophobicContact CG1-CD1 3.75Å; V290-I438 HydrophobicContact CG1-CG1 3.7Å
291	S	86.4	Confident	87	Confident	17 Å²	17	19.2 Å²	19.2	12%	0.119	11%	0.109	C	C	.	.			trans	-110.1	124.7	172.3	176.3	0	0	0	0	110.6	T293 S294 G295 H296	S291-T293 VanDerWaalsContact C-N 3.33Å; S291-T293 PolarHBondContact OG-N 2.94Å; S291-T293 PolarHBondContact OG-OG1 2.83Å; S291-T293 VanDerWaalsContact OG-OG1 3.05Å; S291-S294 WeakPolarHBondContact CB-OG 3.35Å; S291-S294 PolarHBondContact OG-N 3.07Å; S291-S294 PolarHBondContact OG-OG 3.29Å; S291-G295 WeakPolarHBondContact O-CA 3.28Å; S291-G295 PolarHBondContact O-N 2.87Å; S291-H296 PolarHBondContact N-O 3.45Å
292	A	79.6	Confident	87	Confident	27 Å²	27	14.9 Å²	14.9	22%	0.223	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.5	176.3	0	0	0	0	0	112.3	W408 I438 P609	A292-W408 VanDerWaalsContact O-CH2 3.26Å; A292-W408 WeakPolarHBondContact O-CH2 3.38Å; A292-I438 HydrophobicContact CB-CD1 4.18Å; A292-I438 HydrophobicContact CB-CG2 4.09Å; A292-P609 HydrophobicContact CB-CG 4.3Å; A292-P609 WeakPolarHBondContact O-CG 3.27Å
293	T	76.4	Confident	87.1	Confident	34 Å²	34	13 Å²	13	21%	0.209	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-36.1	-177.1	52.2	0	0	0	0	112.6	S291 W408 E749 H752	S291-T293 VanDerWaalsContact C-N 3.33Å; S291-T293 PolarHBondContact OG-N 2.94Å; S291-T293 PolarHBondContact OG-OG1 2.83Å; S291-T293 VanDerWaalsContact OG-OG1 3.05Å; T293-W408 VanDerWaalsContact O-CZ3 3.23Å; T293-W408 WeakPolarHBondContact O-CZ3 3.24Å; T293-E749 HydrophobicContact CG2-CB 4.26Å; T293-E749 HydrophobicContact CG2-CG 4.27Å; T293-H752 PolarHBondContact O-CE1 3.44Å; T293-H752 PolarHBondContact O-ND1 3.33Å; T293-H752 VanDerWaalsContact O-ND1 3.09Å
294	S	74.5	Confident	87.3	Confident	34 Å²	34	12.4 Å²	12.4	24%	0.238	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.5	-170.2	59.4	0	0	0	0	114.5	S291 H296	S291-S294 WeakPolarHBondContact CB-OG 3.35Å; S291-S294 PolarHBondContact OG-N 3.07Å; S291-S294 PolarHBondContact OG-OG 3.29Å; S294-H296 WeakPolarHBondContact CB-ND1 3.46Å; S294-H296 PolarHBondContact O-N 3.2Å; S294-H296 PolarHBondContact OG-ND1 2.83Å
295	G	76.5	Confident	87.3	Confident	4 Å²	4	12.5 Å²	12.5	4%	0.041	8%	0.075	C	C	.	.			trans	72.1	-12.7	-176.9	0	0	0	0	0	115.5	S291 G297 G298	S291-G295 WeakPolarHBondContact O-CA 3.28Å; S291-G295 PolarHBondContact O-N 2.87Å; G295-G297 PolarHBondContact O-N 2.82Å; G295-G298 PolarHBondContact O-N 3.45Å
296	H	82.6	Confident	87.2	Confident	55 Å²	55	16 Å²	16	26%	0.255	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	137.7	173.9	-68.4	127.8	0	0	0	112.4	R206 E259 V290 S291 S294 G298	R206-H296 VanDerWaalsContact CZ-CB 3.42Å; R206-H296 VanDerWaalsContact NH1-CB 3.35Å; R206-H296 PolarHBondContact NH2-O 2.8Å; E259-H296 WeakPolarHBondContact OE2-CB 3.3Å; E259-H296 IonicContact OE2-CD2 3.59Å; E259-H296 IonicContact OE2-CG 3.72Å; V290-H296 WeakPolarHBondContact CA-O 3.25Å; S291-H296 PolarHBondContact N-O 3.45Å; S294-H296 WeakPolarHBondContact CB-ND1 3.46Å; S294-H296 PolarHBondContact O-N 3.2Å; S294-H296 PolarHBondContact OG-ND1 2.83Å; H296-G298 VanDerWaalsContact C-N 3.26Å; H296-G298 PolarHBondContact O-N 3.42Å
297	G	82.9	Confident	87	Confident	1 Å²	1	16 Å²	16	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-20.2	-174	0	0	0	0	0	114.2	E259 G295 Q299 W300	E259-G297 WeakPolarHBondContact OE1-CA 3.48Å; E259-G297 PolarHBondContact OE1-N 3.47Å; G295-G297 PolarHBondContact O-N 2.82Å; G297-Q299 VanDerWaalsContact C-N 3.3Å; G297-Q299 PolarHBondContact O-N 3.21Å; G297-W300 PolarHBondContact O-N 2.65Å
298	G	86.9	Confident	86.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-37.6	176	0	0	0	0	0	112.9	G295 H296 W300 L301 A302	G295-G298 PolarHBondContact O-N 3.45Å; H296-G298 VanDerWaalsContact C-N 3.26Å; H296-G298 PolarHBondContact O-N 3.42Å; G298-W300 VanDerWaalsContact C-N 3.3Å; G298-W300 PolarHBondContact O-N 3.41Å; G298-L301 WeakPolarHBondContact O-CB 3.4Å; G298-L301 PolarHBondContact O-N 2.7Å; G298-L301 VanDerWaalsContact O-N 3.11Å; G298-A302 PolarHBondContact O-N 2.61Å
299	Q	86.6	Confident	86.7	Confident	39 Å²	39	23.2 Å²	23.2	18%	0.182	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-35.1	-178.9	-170.7	57.6	20.8	0	0	112.9	E263 G297 L301 A302 R303 L410 L413	E263-Q299 HydrophobicContact CG-CG 4.35Å; E263-Q299 WeakPolarHBondContact OE2-CG 3.49Å; G297-Q299 VanDerWaalsContact C-N 3.3Å; G297-Q299 PolarHBondContact O-N 3.21Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 3.42Å; Q299-A302 PolarHBondContact O-N 2.79Å; Q299-R303 WeakPolarHBondContact O-CG 3.48Å; Q299-R303 PolarHBondContact O-N 3.07Å; Q299-L410 VanDerWaalsContact OE1-CD2 3.31Å; Q299-L413 HydrophobicContact CG-CD1 4.42Å
300	W	88	Confident	86.6	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-41.9	174.5	-76	86.8	0	0	0	112.3	V230 I250 M272 V276 V288 G297 G298 R303 I304	V230-W300 HydrophobicContact CB-CZ2 4.4Å; V230-W300 HydrophobicContact CG1-CD2 4.31Å; V230-W300 HydrophobicContact CG1-CH2 4.43Å; V230-W300 HydrophobicContact CG1-CZ2 3.7Å; V230-W300 HydrophobicContact CG2-CD2 3.86Å; V230-W300 HydrophobicContact CG2-CE3 3.87Å; V230-W300 HydrophobicContact CG2-CH2 3.66Å; V230-W300 HydrophobicContact CG2-CZ2 3.75Å; V230-W300 HydrophobicContact CG2-CZ3 3.75Å; I250-W300 HydrophobicContact CD1-CH2 4.21Å; I250-W300 HydrophobicContact CG2-CH2 3.92Å; I250-W300 HydrophobicContact CG2-CZ2 4.28Å; M272-W300 HydrophobicContact CE-CH2 3.09Å; M272-W300 HydrophobicContact CE-CZ2 3.59Å; M272-W300 HydrophobicContact CE-CZ3 4.06Å; V276-W300 HydrophobicContact CG2-CE3 3.71Å; V276-W300 HydrophobicContact CG2-CH2 4.45Å; V276-W300 HydrophobicContact CG2-CZ3 3.35Å; V288-W300 HydrophobicContact CG1-CB 3.86Å; V288-W300 HydrophobicContact CG1-CG 4.36Å; V288-W300 HydrophobicContact CG2-CB 4.19Å; G297-W300 PolarHBondContact O-N 2.65Å; G298-W300 VanDerWaalsContact C-N 3.3Å; G298-W300 PolarHBondContact O-N 3.41Å; W300-R303 PolarHBondContact O-N 3.18Å; W300-I304 WeakPolarHBondContact O-CG1 3.39Å; W300-I304 PolarHBondContact O-N 2.7Å; W300-I304 VanDerWaalsContact O-N 3.16Å
301	L	90	Very high	86.6	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-68.7	-38.7	176.9	-64.4	169.7	0	0	0	111.4	V201 V203 V290 G298 Q299 I304 R305 L318 V434 L437	V201-L301 HydrophobicContact CG1-CD2 4.45Å; V203-L301 HydrophobicContact CG1-CD1 4.28Å; V203-L301 HydrophobicContact CG2-CD2 3.86Å; V290-L301 HydrophobicContact CG2-CD1 3.88Å; G298-L301 WeakPolarHBondContact O-CB 3.4Å; G298-L301 PolarHBondContact O-N 2.7Å; G298-L301 VanDerWaalsContact O-N 3.11Å; Q299-L301 VanDerWaalsContact C-N 3.35Å; Q299-L301 PolarHBondContact O-N 3.42Å; L301-I304 PolarHBondContact O-N 3.39Å; L301-R305 PolarHBondContact O-N 3Å; L301-L318 HydrophobicContact CD2-CD2 4.16Å; L301-V434 HydrophobicContact CB-CG2 4.36Å; L301-V434 HydrophobicContact CD1-CG2 3.94Å; L301-L437 HydrophobicContact CD1-CD1 3.62Å; L301-L437 HydrophobicContact CD2-CD1 4.21Å
302	A	90.1	Very high	86.7	Confident	12 Å²	12	30.5 Å²	30.5	10%	0.099	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.9	174.9	0	0	0	0	0	112.4	G298 Q299 R305 Q306 L410 S430	G298-A302 PolarHBondContact O-N 2.61Å; Q299-A302 PolarHBondContact O-N 2.79Å; A302-R305 PolarHBondContact O-N 3.38Å; A302-Q306 WeakPolarHBondContact O-CB 3.46Å; A302-Q306 PolarHBondContact O-N 3.44Å; A302-L410 HydrophobicContact CB-CD2 3.57Å; A302-S430 WeakPolarHBondContact CB-OG 3.21Å
303	R	89.8	Confident	87.2	Confident	3 Å²	3	29.3 Å²	29.3	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-46.4	174.1	-70.9	170.2	-172.8	-76.7	-2.3	111.7	E263 S269 T273 Q299 W300 R305 Q306 L307	E263-R303 IonicContact OE2-CZ 3.54Å; E263-R303 VanDerWaalsContact OE2-CZ 3.29Å; E263-R303 IonicContact OE2-NE 3.68Å; E263-R303 PolarHBondContact OE2-NE 2.92Å; E263-R303 IonicContact OE2-NH2 3.05Å; E263-R303 PolarHBondContact OE2-NH2 3.38Å; S269-R303 VanDerWaalsContact CA-NH2 3.25Å; S269-R303 VanDerWaalsContact CB-NH2 3.26Å; S269-R303 PolarHBondContact O-NH1 3.23Å; S269-R303 PolarHBondContact OG-NH1 2.91Å; S269-R303 VanDerWaalsContact OG-NH1 3.12Å; S269-R303 PolarHBondContact OG-NH2 2.87Å; T273-R303 PolarHBondContact OG1-NH1 2.89Å; Q299-R303 WeakPolarHBondContact O-CG 3.48Å; Q299-R303 PolarHBondContact O-N 3.07Å; W300-R303 PolarHBondContact O-N 3.18Å; R303-R305 VanDerWaalsContact C-N 3.33Å; R303-R305 PolarHBondContact O-N 3.14Å; R303-Q306 WeakPolarHBondContact O-CB 3.5Å; R303-Q306 PolarHBondContact O-N 3.12Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.67Å
304	I	92.1	Very high	87.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-45.1	178.7	-65.4	167	0	0	0	110.6	V201 V276 L280 W300 L301 Q306 L307 I308 V316 L367	V201-I304 HydrophobicContact CG1-CD1 4.19Å; V201-I304 HydrophobicContact CG2-CD1 4.14Å; V276-I304 HydrophobicContact CG1-CG1 3.75Å; L280-I304 HydrophobicContact CD1-CG1 4.28Å; L280-I304 HydrophobicContact CD1-CG2 4.16Å; W300-I304 WeakPolarHBondContact O-CG1 3.39Å; W300-I304 PolarHBondContact O-N 2.7Å; W300-I304 VanDerWaalsContact O-N 3.16Å; L301-I304 PolarHBondContact O-N 3.39Å; I304-Q306 PolarHBondContact O-N 3.28Å; I304-L307 PolarHBondContact O-N 3.01Å; I304-I308 HydrophobicContact CG2-CD1 4.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.43Å; I304-I308 PolarHBondContact O-N 3.19Å; I304-I308 VanDerWaalsContact O-N 3.13Å; I304-V316 HydrophobicContact CG2-CB 4.37Å; I304-V316 HydrophobicContact CG2-CG2 3.9Å; I304-L367 HydrophobicContact CG2-CD2 3.9Å
305	R	91.6	Very high	88.8	Confident	15 Å²	15	32.8 Å²	32.8	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-43.7	177	-167.2	-157.9	70.7	-157.4	-3.7	112	L301 A302 R303 L307 I308 K309 D426 S430	L301-R305 PolarHBondContact O-N 3Å; A302-R305 PolarHBondContact O-N 3.38Å; R303-R305 VanDerWaalsContact C-N 3.33Å; R303-R305 PolarHBondContact O-N 3.14Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.23Å; R305-I308 PolarHBondContact O-N 2.9Å; R305-I308 VanDerWaalsContact O-N 3.11Å; R305-K309 PolarHBondContact O-N 3.4Å; R305-D426 IonicContact CZ-OD1 2.77Å; R305-D426 IonicContact CZ-OD2 3.76Å; R305-D426 IonicContact NE-OD1 3.92Å; R305-D426 PolarHBondContact NH1-O 3.44Å; R305-D426 PolarHBondContact NH2-O 2.54Å; R305-D426 IonicContact NH2-OD1 3.02Å; R305-D426 PolarHBondContact NH2-OD1 2.99Å; R305-D426 IonicContact NH2-OD2 3.68Å; R305-D426 PolarHBondContact NH2-OD2 3.31Å; R305-S430 VanDerWaalsContact NH1-CA 3.34Å; R305-S430 PolarHBondContact NH1-OG 3Å; R305-S430 PolarHBondContact NH2-OG 2.55Å
306	Q	90.8	Very high	89.7	Confident	77 Å²	77	32.6 Å²	32.6	36%	0.36	18%	0.183	S	C	.	.	H	α-helix	trans	-56.9	-44.4	176.7	177.8	177.4	0.1	0	0	110.9	A302 R303 I304 I308 K309 E310	A302-Q306 WeakPolarHBondContact O-CB 3.46Å; A302-Q306 PolarHBondContact O-N 3.44Å; R303-Q306 WeakPolarHBondContact O-CB 3.5Å; R303-Q306 PolarHBondContact O-N 3.12Å; I304-Q306 PolarHBondContact O-N 3.28Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 3.22Å; Q306-K309 PolarHBondContact O-N 3.34Å; Q306-E310 HydrophobicContact CG-CG 4.43Å; Q306-E310 WeakPolarHBondContact CG-OE1 2.98Å; Q306-E310 PolarHBondContact NE2-OE1 2.95Å; Q306-E310 WeakPolarHBondContact O-CB 3.5Å; Q306-E310 VanDerWaalsContact O-CG 3.22Å; Q306-E310 WeakPolarHBondContact O-CG 3.17Å; Q306-E310 PolarHBondContact O-N 3.17Å
307	L	91.5	Very high	90.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-34	176.6	-69	170.2	0	0	0	113.2	T273 V276 R277 R303 I304 R305 S312 V313	T273-L307 HydrophobicContact CG2-CD2 3.9Å; T273-L307 HydrophobicContact CG2-CG 4.32Å; V276-L307 HydrophobicContact CB-CD1 4.31Å; V276-L307 HydrophobicContact CG1-CD1 3.88Å; R277-L307 HydrophobicContact CB-CD1 3.99Å; R277-L307 HydrophobicContact CB-CD2 3.96Å; R277-L307 HydrophobicContact CG-CD2 4.09Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.67Å; I304-L307 PolarHBondContact O-N 3.01Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.23Å; L307-S312 WeakPolarHBondContact O-CB 3.13Å; L307-S312 PolarHBondContact O-N 3.35Å; L307-V313 HydrophobicContact CB-CB 4.44Å; L307-V313 HydrophobicContact CB-CG2 4.01Å; L307-V313 PolarHBondContact O-N 3.26Å; L307-V313 VanDerWaalsContact O-N 3.07Å
308	I	92.4	Very high	91	Very high	21 Å²	21	30.6 Å²	30.6	11%	0.108	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-45.7	174.5	-64.8	168.6	0	0	0	110.8	I304 R305 Q306 E310 G311 V313 V316 L367 K368	I304-I308 HydrophobicContact CG2-CD1 4.3Å; I304-I308 WeakPolarHBondContact O-CG1 3.43Å; I304-I308 PolarHBondContact O-N 3.19Å; I304-I308 VanDerWaalsContact O-N 3.13Å; R305-I308 PolarHBondContact O-N 2.9Å; R305-I308 VanDerWaalsContact O-N 3.11Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 3.22Å; I308-E310 VanDerWaalsContact C-N 3.25Å; I308-E310 PolarHBondContact O-N 3.01Å; I308-G311 PolarHBondContact O-N 2.98Å; I308-V313 WeakPolarHBondContact CA-O 3.35Å; I308-V313 HydrophobicContact CG1-CB 4.32Å; I308-V313 HydrophobicContact CG1-CG1 4.42Å; I308-V316 HydrophobicContact CD1-CB 4.3Å; I308-V316 HydrophobicContact CD1-CG2 4.07Å; I308-L367 HydrophobicContact CD1-CB 4.2Å; I308-L367 HydrophobicContact CD1-CD2 3.71Å; I308-L367 HydrophobicContact CD1-CG 3.94Å; I308-K368 HydrophobicContact CG2-CB 4.25Å; I308-K368 HydrophobicContact CG2-CG 4.37Å
309	K	90.3	Very high	91.4	Very high	133 Å²	133	30.6 Å²	30.6	58%	0.578	18%	0.175	S	C	*	.	H	α-helix	trans	-60.6	-36.1	179	-176.7	177.9	178.6	176.8	0	112.3	R305 Q306 G311 D426	R305-K309 PolarHBondContact O-N 3.4Å; Q306-K309 PolarHBondContact O-N 3.34Å; K309-G311 PolarHBondContact O-N 2.65Å; K309-D426 IonicContact NZ-OD1 3.26Å; K309-D426 PolarHBondContact NZ-OD1 3.4Å; K309-D426 IonicContact NZ-OD2 2.64Å; K309-D426 PolarHBondContact NZ-OD2 3.05Å; K309-D426 VanDerWaalsContact NZ-OD2 3.07Å
310	E	89.9	Confident	91.9	Very high	77 Å²	77	28.8 Å²	28.8	36%	0.36	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.2	175.8	-69.5	165.9	175.9	0	0	113.4	R122 Q306 I308 S312	R122-E310 IonicContact CZ-OE1 3.61Å; R122-E310 IonicContact CZ-OE2 2.76Å; R122-E310 IonicContact NH1-OE2 3.07Å; R122-E310 PolarHBondContact NH1-OE2 3.11Å; R122-E310 VanDerWaalsContact NH1-OE2 3.16Å; R122-E310 IonicContact NH2-OE1 3.67Å; R122-E310 PolarHBondContact NH2-OE1 2.88Å; R122-E310 IonicContact NH2-OE2 2.73Å; R122-E310 PolarHBondContact NH2-OE2 3.35Å; Q306-E310 HydrophobicContact CG-CG 4.43Å; Q306-E310 WeakPolarHBondContact CG-OE1 2.98Å; Q306-E310 PolarHBondContact NE2-OE1 2.95Å; Q306-E310 WeakPolarHBondContact O-CB 3.5Å; Q306-E310 VanDerWaalsContact O-CG 3.22Å; Q306-E310 WeakPolarHBondContact O-CG 3.17Å; Q306-E310 PolarHBondContact O-N 3.17Å; I308-E310 VanDerWaalsContact C-N 3.25Å; I308-E310 PolarHBondContact O-N 3.01Å; E310-S312 PolarHBondContact O-N 3.22Å
311	G	89.3	Confident	92.2	Very high	63 Å²	63	28.7 Å²	28.7	65%	0.649	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	8.4	-173.4	0	0	0	0	0	113.6	I308 K309	I308-G311 PolarHBondContact O-N 2.98Å; K309-G311 PolarHBondContact O-N 2.65Å
312	S	88.9	Confident	92.4	Very high	35 Å²	35	28.4 Å²	28.4	25%	0.245	17%	0.166	C	C	.	.	S	Bend	trans	-67.5	-40.5	176.5	-72.7	0	0	0	0	110.6	H281 L307 E310	H281-S312 PolarHBondContact NE2-O 3.04Å; L307-S312 WeakPolarHBondContact O-CB 3.13Å; L307-S312 PolarHBondContact O-N 3.35Å; E310-S312 PolarHBondContact O-N 3.22Å
313	V	91	Very high	92.6	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.161	C	C	.	.	S	Bend	trans	-117.3	132.3	176.2	176.9	0	0	0	0	108.6	R277 L280 L307 I308 V316	R277-V313 HydrophobicContact CG-CG2 4.49Å; L280-V313 HydrophobicContact CB-CG1 4.21Å; L280-V313 HydrophobicContact CB-CG2 4.05Å; L280-V313 HydrophobicContact CD1-CG1 4.25Å; L280-V313 HydrophobicContact CD1-CG2 4.05Å; L307-V313 HydrophobicContact CB-CB 4.44Å; L307-V313 HydrophobicContact CB-CG2 4.01Å; L307-V313 PolarHBondContact O-N 3.26Å; L307-V313 VanDerWaalsContact O-N 3.07Å; I308-V313 WeakPolarHBondContact CA-O 3.35Å; I308-V313 HydrophobicContact CG1-CB 4.32Å; I308-V313 HydrophobicContact CG1-CG1 4.42Å; V313-V316 HydrophobicContact CG1-CG2 3.88Å
314	P	90.5	Very high	92.7	Very high	101 Å²	101	28 Å²	28	66%	0.656	16%	0.162	S	C	*	.			trans	-66.1	-52	-174	24.1	-33.3	0	0	0	113.1	K368	P314-K368 WeakPolarHBondContact O-CD 3.39Å
315	D	94.2	Very high	92.5	Very high	39 Å²	39	28.7 Å²	28.7	21%	0.209	17%	0.165	C	C	.	.			trans	-167.5	163.1	175.8	-171.8	21	0	0	0	109.8	P199 S366 K368	P199-D315 WeakPolarHBondContact CG-O 3.35Å; D315-S366 PolarHBondContact OD1-OG 2.99Å; D315-S366 VanDerWaalsContact OD2-CB 3.24Å; D315-S366 WeakPolarHBondContact OD2-CB 3.24Å; D315-S366 PolarHBondContact OD2-OG 2.8Å; D315-K368 HydrophobicContact CB-CB 4.09Å; D315-K368 HydrophobicContact CB-CD 4.4Å; D315-K368 VanDerWaalsContact CG-CB 3.46Å; D315-K368 WeakPolarHBondContact OD1-CB 3.29Å; D315-K368 PolarHBondContact OD1-N 3.06Å
316	V	95.1	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.			trans	-136.6	137.4	179	179.4	0	0	0	0	109.8	P199 V201 L280 I304 I308 V313 L367	P199-V316 HydrophobicContact CG-CB 4.46Å; P199-V316 HydrophobicContact CG-CG2 4.04Å; P199-V316 WeakPolarHBondContact O-CG1 3.3Å; V201-V316 HydrophobicContact CB-CG1 3.99Å; V201-V316 HydrophobicContact CG2-CG1 3.27Å; L280-V316 HydrophobicContact CD1-CG2 4.13Å; L280-V316 HydrophobicContact CD2-CG1 4.48Å; L280-V316 HydrophobicContact CD2-CG2 4Å; I304-V316 HydrophobicContact CG2-CB 4.37Å; I304-V316 HydrophobicContact CG2-CG2 3.9Å; I308-V316 HydrophobicContact CD1-CB 4.3Å; I308-V316 HydrophobicContact CD1-CG2 4.07Å; V313-V316 HydrophobicContact CG1-CG2 3.88Å; V316-L367 WeakPolarHBondContact O-CB 3.41Å; V316-L367 PolarHBondContact O-N 3.18Å
317	S	95.8	Very high	91.5	Very high	14 Å²	14	26.4 Å²	26.4	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.6	174.2	-71.8	0	0	0	0	110.9	S198 P199 L200 V201 F365	S198-S317 WeakPolarHBondContact OG-CB 3.2Å; S198-S317 PolarHBondContact OG-OG 3.29Å; P199-S317 PolarHBondContact O-N 3.35Å; L200-S317 WeakPolarHBondContact CA-O 3.36Å; V201-S317 PolarHBondContact N-O 3.02Å; S317-F365 CarbonylContact C-O 3.46Å; S317-F365 VanDerWaalsContact CA-O 3.32Å; S317-F365 WeakPolarHBondContact CA-O 3.34Å
318	L	96.3	Very high	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.8	176.3	-71	170.5	0	0	0	111.6	V201 V203 L301 P364 F365 L367 L437	V201-L318 HydrophobicContact CB-CD2 3.92Å; V201-L318 HydrophobicContact CG1-CD2 3.9Å; V201-L318 WeakPolarHBondContact O-CA 3.34Å; V203-L318 HydrophobicContact CG2-CD2 4Å; L301-L318 HydrophobicContact CD2-CD2 4.16Å; L318-P364 WeakPolarHBondContact O-CA 3.25Å; L318-F365 HydrophobicContact CB-CD2 4.21Å; L318-F365 HydrophobicContact CB-CE1 4.25Å; L318-F365 HydrophobicContact CB-CE2 3.73Å; L318-F365 HydrophobicContact CB-CZ 3.76Å; L318-F365 HydrophobicContact CD1-CE2 3.75Å; L318-F365 HydrophobicContact CD1-CZ 4.17Å; L318-F365 HydrophobicContact CG-CE2 4.35Å; L318-F365 PolarHBondContact N-O 3.39Å; L318-F365 PolarHBondContact O-N 3.36Å; L318-L367 HydrophobicContact CD1-CB 3.82Å; L318-L367 HydrophobicContact CD1-CD1 3.71Å; L318-L367 HydrophobicContact CD1-CD2 4.23Å; L318-L367 HydrophobicContact CD1-CG 4.11Å; L318-L367 HydrophobicContact CG-CB 4.11Å; L318-L437 HydrophobicContact CB-CD2 4.45Å; L318-L437 HydrophobicContact CD1-CD1 4.19Å; L318-L437 HydrophobicContact CD1-CD2 4.33Å
319	V	96.2	Very high	88.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	97	180	-174.3	0	0	0	0	110	L190 L200 V201 Y202 V203 V321 P364	L190-V319 HydrophobicContact CD2-CB 4.37Å; L190-V319 HydrophobicContact CD2-CG1 3.9Å; L190-V319 HydrophobicContact CD2-CG2 3.5Å; L200-V319 HydrophobicContact CD2-CG2 3.88Å; V201-V319 PolarHBondContact O-N 3.27Å; Y202-V319 CarbonylContact C-O 3.44Å; Y202-V319 WeakPolarHBondContact CA-O 3.45Å; Y202-V319 HydrophobicContact CD1-CB 3.71Å; Y202-V319 HydrophobicContact CD1-CG1 3.73Å; Y202-V319 HydrophobicContact CD1-CG2 4.28Å; Y202-V319 HydrophobicContact CE1-CB 4.05Å; Y202-V319 HydrophobicContact CE1-CG1 3.91Å; Y202-V319 HydrophobicContact CE1-CG2 4.19Å; Y202-V319 HydrophobicContact CG-CB 4.46Å; V203-V319 PolarHBondContact N-O 2.66Å; V319-V321 HydrophobicContact CG1-CG2 4.4Å; V319-V321 PolarHBondContact O-N 2.86Å; V319-P364 HydrophobicContact CG2-CB 3.89Å
320	P	95.9	Very high	86	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	134.4	164.7	-25	27.2	0	0	0	112.9	V203 S362 F365 L437 A441	V203-P320 CarbonylContact O-C 3.5Å; V203-P320 WeakPolarHBondContact O-CA 3.22Å; P320-S362 WeakPolarHBondContact CB-OG 3.37Å; P320-S362 WeakPolarHBondContact CD-OG 3.47Å; P320-S362 WeakPolarHBondContact CG-OG 3.33Å; P320-S362 VanDerWaalsContact O-CB 3.26Å; P320-S362 WeakPolarHBondContact O-CB 3.05Å; P320-S362 PolarHBondContact O-N 3.32Å; P320-S362 PolarHBondContact O-OG 3.05Å; P320-F365 HydrophobicContact CG-CE1 3.77Å; P320-F365 HydrophobicContact CG-CZ 4.45Å; P320-L437 HydrophobicContact CG-CD2 4Å; P320-A441 HydrophobicContact CB-CB 4.48Å
321	V	95.4	Very high	83.4	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.5	178.6	-177.8	0	0	0	0	109.9	Y202 V203 I215 V319 I323 I359 H360 L361	Y202-V321 HydrophobicContact CD1-CG2 3.94Å; Y202-V321 HydrophobicContact CG-CG2 4.49Å; V203-V321 PolarHBondContact O-N 2.88Å; I215-V321 HydrophobicContact CD1-CG1 4.41Å; I215-V321 HydrophobicContact CG1-CG1 4.41Å; V319-V321 HydrophobicContact CG1-CG2 4.4Å; V319-V321 PolarHBondContact O-N 2.86Å; V321-I323 HydrophobicContact CG1-CG1 4.22Å; V321-I359 HydrophobicContact CG1-CG2 3.99Å; V321-H360 WeakPolarHBondContact CA-O 3.45Å; V321-L361 HydrophobicContact CB-CD2 4.36Å; V321-L361 HydrophobicContact CG1-CD2 3.9Å; V321-L361 HydrophobicContact CG2-CD2 3.61Å
322	G	93.7	Very high	80.7	Confident	1 Å²	1	28 Å²	28	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.9	174.3	0	0	0	0	0	110.4	I359 H360 C444	G322-I359 WeakPolarHBondContact O-CA 3.26Å; G322-H360 PolarHBondContact N-O 2.92Å; G322-H360 PolarHBondContact O-N 3.07Å; G322-C444 VanDerWaalsContact CA-SG 3.53Å; G322-C444 PolarHBondContact N-SG 3.48Å
323	I	93.1	Very high	78.2	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	175.5	-51.2	176.2	0	0	0	108.3	Q207 D211 I215 V321 Y325 V357 M358 I359	Q207-I323 PolarHBondContact NE2-O 3.12Å; D211-I323 HydrophobicContact CB-CD1 3.99Å; I215-I323 HydrophobicContact CD1-CD1 4.14Å; I215-I323 HydrophobicContact CG1-CD1 4.1Å; V321-I323 HydrophobicContact CG1-CG1 4.22Å; I323-Y325 HydrophobicContact CB-CE2 4.25Å; I323-Y325 HydrophobicContact CG2-CD2 4.15Å; I323-Y325 HydrophobicContact CG2-CE1 4.49Å; I323-Y325 HydrophobicContact CG2-CE2 3.41Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.41Å; I323-V357 HydrophobicContact CG2-CG1 3.87Å; I323-M358 WeakPolarHBondContact CA-O 3.36Å; I323-I359 HydrophobicContact CG2-CG1 4.47Å
324	S	92	Very high	75.4	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.3	-178.7	-57.8	0	0	0	0	110.6	V357 M358 A446 M448	S324-V357 CarbonylContact O-C 3.16Å; S324-V357 VanDerWaalsContact O-CA 3.3Å; S324-V357 WeakPolarHBondContact O-CA 3.39Å; S324-M358 PolarHBondContact N-O 3.18Å; S324-M358 PolarHBondContact O-N 3.22Å; S324-A446 VanDerWaalsContact CB-O 3.24Å; S324-A446 WeakPolarHBondContact CB-O 3.4Å; S324-A446 PolarHBondContact OG-N 3.22Å; S324-A446 PolarHBondContact OG-O 3.48Å; S324-M448 VanDerWaalsContact CB-SD 3.52Å
325	Y	89.7	Confident	72.6	Confident	15 Å²	15	38.9 Å²	38.9	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.5	-176.3	-69.9	-82.8	0	0	0	110.6	F177 Q207 D211 L214 I323 V357 M448	F177-Y325 HydrophobicContact CE1-CD1 4.45Å; F177-Y325 HydrophobicContact CE1-CE1 4.45Å; F177-Y325 HydrophobicContact CZ-CE1 4.27Å; Q207-Y325 HydrophobicContact CB-CE2 4.37Å; D211-Y325 PolarHBondContact OD1-OH 2.74Å; L214-Y325 HydrophobicContact CD1-CE1 4.27Å; L214-Y325 WeakPolarHBondContact CD1-OH 3.47Å; I323-Y325 HydrophobicContact CB-CE2 4.25Å; I323-Y325 HydrophobicContact CG2-CD2 4.15Å; I323-Y325 HydrophobicContact CG2-CE1 4.49Å; I323-Y325 HydrophobicContact CG2-CE2 3.41Å; I323-Y325 VanDerWaalsContact CG2-CE2 3.41Å; Y325-V357 HydrophobicContact CD1-CG1 4.26Å; Y325-V357 HydrophobicContact CD1-CG2 3.69Å; Y325-V357 HydrophobicContact CE1-CB 4.45Å; Y325-V357 HydrophobicContact CE1-CG1 3.91Å; Y325-V357 HydrophobicContact CE1-CG2 3.66Å; Y325-M448 WeakPolarHBondContact O-CG 3.46Å
326	D	87	Confident	69.7	Low	2 Å²	2	39 Å²	39	1%	0.011	22%	0.217	C	C	.	.	S	Bend	trans	-70.3	-41.2	171.7	-86.9	-40.1	0	0	0	112	S356 M448 T450 Y500 L504	D326-S356 PolarHBondContact N-O 3.44Å; D326-S356 VanDerWaalsContact OD2-CB 3.3Å; D326-S356 WeakPolarHBondContact OD2-CB 3.26Å; D326-S356 PolarHBondContact OD2-N 2.84Å; D326-S356 PolarHBondContact OD2-OG 3.33Å; D326-M448 HydrophobicContact CB-CE 4.22Å; D326-M448 WeakPolarHBondContact OD1-CB 3.5Å; D326-M448 WeakPolarHBondContact OD1-CE 3.35Å; D326-T450 WeakPolarHBondContact CA-OG1 3.36Å; D326-T450 HydrophobicContact CB-CG2 4.38Å; D326-T450 VanDerWaalsContact O-CB 3.23Å; D326-T450 WeakPolarHBondContact O-CB 3.44Å; D326-T450 VanDerWaalsContact O-CG2 3.24Å; D326-T450 WeakPolarHBondContact O-CG2 3.24Å; D326-T450 PolarHBondContact O-OG1 3.34Å; D326-Y500 WeakPolarHBondContact OD2-CE1 3.28Å; D326-Y500 PolarHBondContact OD2-OH 2.99Å; D326-L504 HydrophobicContact CB-CD1 3.72Å
327	C	74.5	Confident	66.9	Low	42 Å²	42	41.1 Å²	41.1	28%	0.284	24%	0.239	S	C	.	.	S	Bend	trans	-116.5	129	175.9	-175.3	0	0	0	0	105.5	A329	C327-A329 PolarHBondContact O-N 3.46Å; C327-A329 VanDerWaalsContact O-N 3.1Å
328	A	59.9	Low	64.1	Low	30 Å²	30	45.3 Å²	45.3	25%	0.248	27%	0.269	C	S	.	.			trans	-51.3	128.8	169.3	0	0	0	0	0	106.8	D330 H533	A328-D330 PolarHBondContact O-N 3.34Å; A328-H533 WeakPolarHBondContact CB-CE1 3.41Å
329	A	50.9	Low	61.5	Low	30 Å²	30	49.9 Å²	49.9	25%	0.248	29%	0.29	C	S	.	.			trans	-65.6	90.1	165.4	0	0	0	0	0	104.2	C327 T331	C327-A329 PolarHBondContact O-N 3.46Å; C327-A329 VanDerWaalsContact O-N 3.1Å; A329-T331 HydrophobicContact CB-CG2 4.36Å; A329-T331 PolarHBondContact O-N 2.92Å; A329-T331 PolarHBondContact O-OG1 3.32Å
330	D	46.3	Very low	59.4	Low	111 Å²	111	53.7 Å²	53.7	59%	0.594	32%	0.315	S	S	*	.			trans	-63.9	72.7	170.8	-82.4	-9.8	0	0	0	106.8	A328 H533	A328-D330 PolarHBondContact O-N 3.34Å; D330-H533 IonicContact OD1-ND1 3.61Å
331	T	36	Very low	57.2	Low	36 Å²	36	56.8 Å²	56.8	22%	0.221	33%	0.333	C	S	.	.			trans	-104.7	77.2	165.3	58.5	0	0	0	0	103.2	S208 A329 V333 W344	S208-T331 PolarHBondContact OG-OG1 3.04Å; A329-T331 HydrophobicContact CB-CG2 4.36Å; A329-T331 PolarHBondContact O-N 2.92Å; A329-T331 PolarHBondContact O-OG1 3.32Å; T331-V333 WeakPolarHBondContact O-CG2 3.45Å; T331-V333 PolarHBondContact O-N 3.14Å; T331-W344 HydrophobicContact CG2-CZ2 3.96Å
332	N	32.4	Very low	55.2	Low	120 Å²	120	63.6 Å²	63.6	64%	0.642	37%	0.369	S	S	*	.			trans	-59.9	79.2	154.2	-76.9	-30.1	0	0	0	106.4	K334 E335 A336	N332-K334 PolarHBondContact O-N 3.34Å; N332-E335 PolarHBondContact O-N 2.78Å; N332-A336 PolarHBondContact O-N 2.99Å
333	V	37	Very low	53	Low	59 Å²	59	68 Å²	68	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-66.2	-15.6	178.2	176.1	0	0	0	0	110.2	A209 L233 T331 E335 A336 G337	A209-V333 HydrophobicContact CB-CG2 4.18Å; L233-V333 HydrophobicContact CD2-CG1 4.28Å; T331-V333 WeakPolarHBondContact O-CG2 3.45Å; T331-V333 PolarHBondContact O-N 3.14Å; V333-E335 PolarHBondContact O-N 2.85Å; V333-A336 HydrophobicContact CG1-CB 4.38Å; V333-A336 PolarHBondContact O-N 2.91Å; V333-G337 PolarHBondContact O-N 2.95Å
334	K	32.4	Very low	51.1	Low	162 Å²	162	72.7 Å²	72.7	70%	0.704	41%	0.407	S	S	*	.	H	α-helix	trans	-55.7	-28.7	166.5	-72.9	-174	176.3	179.6	0	112.3	N332 E748	N332-K334 PolarHBondContact O-N 3.34Å; K334-E748 IonicContact NZ-OE1 3.53Å; K334-E748 PolarHBondContact NZ-OE1 3.47Å; K334-E748 IonicContact NZ-OE2 3.75Å; K334-E748 PolarHBondContact NZ-OE2 3.16Å
335	E	31.8	Very low	49.4	Very low	146 Å²	146	74.4 Å²	74.4	68%	0.682	42%	0.416	S	S	*	.	H	α-helix	trans	-98.7	-14.2	172.8	-71.2	-179.2	160.7	0	0	114.1	N332 V333 G337 S338	N332-E335 PolarHBondContact O-N 2.78Å; V333-E335 PolarHBondContact O-N 2.85Å; E335-G337 VanDerWaalsContact C-N 3.29Å; E335-G337 PolarHBondContact O-N 2.81Å; E335-S338 PolarHBondContact O-OG 2.98Å; E335-S338 VanDerWaalsContact O-OG 3.1Å
336	A	32.5	Very low	47.7	Very low	40 Å²	40	76.1 Å²	76.1	33%	0.331	43%	0.429	S	S	.	.	H	α-helix	trans	-79.9	-9	176.8	0	0	0	0	0	113.5	N332 V333 S338	N332-A336 PolarHBondContact O-N 2.99Å; V333-A336 HydrophobicContact CG1-CB 4.38Å; V333-A336 PolarHBondContact O-N 2.91Å; A336-S338 PolarHBondContact O-N 2.82Å
337	G	35.9	Very low	46.2	Very low	46 Å²	46	80.4 Å²	80.4	47%	0.474	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-8.7	173.9	0	0	0	0	0	114.7	K236 V333 E335	K236-G337 PolarHBondContact NZ-O 3.03Å; V333-G337 PolarHBondContact O-N 2.95Å; E335-G337 VanDerWaalsContact C-N 3.29Å; E335-G337 PolarHBondContact O-N 2.81Å
338	S	36.2	Very low	45.3	Very low	102 Å²	102	79.5 Å²	79.5	71%	0.713	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-21.4	-178.6	63	0	0	0	0	114.5	E335 A336	E335-S338 PolarHBondContact O-OG 2.98Å; E335-S338 VanDerWaalsContact O-OG 3.1Å; A336-S338 PolarHBondContact O-N 2.82Å
339	Q	42.1	Very low	45.2	Very low	96 Å²	96	82.4 Å²	82.4	45%	0.449	46%	0.455	S	S	.	.	S	Bend	trans	-93.3	137.8	175.6	-66	-144.4	-11	0	0	112.2	V341	Q339-V341 PolarHBondContact O-N 2.96Å
340	P	52.8	Low	45.4	Very low	80 Å²	80	91.8 Å²	91.8	52%	0.519	48%	0.484	S	S	.	.			trans	-61.3	132.2	177.2	22.2	-29	0	0	0	110.1	L342 Q343 W344	P340-L342 PolarHBondContact O-N 2.88Å; P340-Q343 HydrophobicContact CG-CB 3.99Å; P340-Q343 WeakPolarHBondContact O-CB 2.99Å; P340-Q343 PolarHBondContact O-N 3.18Å; P340-W344 PolarHBondContact O-N 2.88Å
341	V	49.6	Very low	46.2	Very low	67 Å²	67	93.2 Å²	93.2	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-48.5	-32.5	-179.6	175.5	0	0	0	0	112.4	L240 Q339 Q343 W344 L345	L240-V341 HydrophobicContact CD1-CB 3.77Å; L240-V341 HydrophobicContact CD1-CG1 4.17Å; L240-V341 HydrophobicContact CD1-CG2 3.69Å; Q339-V341 PolarHBondContact O-N 2.96Å; V341-Q343 PolarHBondContact O-N 2.66Å; V341-W344 PolarHBondContact O-N 3.38Å; V341-L345 HydrophobicContact CG1-CD1 3.88Å; V341-L345 HydrophobicContact CG1-CG 4.22Å; V341-L345 WeakPolarHBondContact O-CB 3.43Å; V341-L345 WeakPolarHBondContact O-CG 3.38Å; V341-L345 PolarHBondContact O-N 3.25Å
342	L	52.4	Low	47.5	Very low	144 Å²	144	99.6 Å²	99.6	75%	0.754	51%	0.51	S	S	*	.	H	α-helix	trans	-61.8	-40.6	175.5	-123.9	89.9	0	0	0	113.5	P340 L345 S346	P340-L342 PolarHBondContact O-N 2.88Å; L342-L345 PolarHBondContact O-N 3.47Å; L342-S346 WeakPolarHBondContact O-CB 3.49Å; L342-S346 PolarHBondContact O-N 2.64Å
343	Q	49.4	Very low	48.9	Very low	94 Å²	94	97.2 Å²	97.2	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-70.7	-40.1	179.9	-167.9	168.7	14.4	0	0	110.3	P340 V341 S346 L347	P340-Q343 HydrophobicContact CG-CB 3.99Å; P340-Q343 WeakPolarHBondContact O-CB 2.99Å; P340-Q343 PolarHBondContact O-N 3.18Å; V341-Q343 PolarHBondContact O-N 2.66Å; Q343-S346 WeakPolarHBondContact CA-OG 3.46Å; Q343-S346 PolarHBondContact O-N 2.84Å; Q343-S346 PolarHBondContact O-OG 3.42Å; Q343-L347 WeakPolarHBondContact O-CG 3.46Å; Q343-L347 PolarHBondContact O-N 3.19Å
344	W	52.7	Low	50.5	Low	100 Å²	100	96.7 Å²	96.7	38%	0.379	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-46.2	172.1	-174.4	80.6	0	0	0	112.5	T331 P340 V341 S346 L347 L348	T331-W344 HydrophobicContact CG2-CZ2 3.96Å; P340-W344 PolarHBondContact O-N 2.88Å; V341-W344 PolarHBondContact O-N 3.38Å; W344-S346 VanDerWaalsContact C-N 3.31Å; W344-S346 PolarHBondContact O-N 3.25Å; W344-L347 PolarHBondContact O-N 2.78Å; W344-L348 HydrophobicContact CD2-CD1 3.5Å; W344-L348 VanDerWaalsContact CD2-CD1 3.5Å; W344-L348 HydrophobicContact CD2-CG 4.39Å; W344-L348 HydrophobicContact CE3-CD1 3.34Å; W344-L348 HydrophobicContact CG-CD1 4.37Å; W344-L348 HydrophobicContact CH2-CD1 3.43Å; W344-L348 VanDerWaalsContact CH2-CD1 3.43Å; W344-L348 HydrophobicContact CZ2-CD1 3.58Å; W344-L348 HydrophobicContact CZ3-CD1 3.31Å; W344-L348 WeakPolarHBondContact O-CG 3.33Å; W344-L348 PolarHBondContact O-N 3.48Å
345	L	55.1	Low	52.9	Low	41 Å²	41	89.1 Å²	89.1	22%	0.215	47%	0.471	C	S	.	.	H	α-helix	trans	-59.3	-41.4	174	-71.8	168.3	0	0	0	111.6	M172 V341 L342 L347 L348 L349	M172-L345 HydrophobicContact CE-CB 4.18Å; M172-L345 HydrophobicContact CE-CD2 3.51Å; M172-L345 HydrophobicContact CE-CG 4.47Å; M172-L345 WeakPolarHBondContact CE-O 3.35Å; M172-L345 HydrophobicContact CG-CD2 4.32Å; M172-L345 HydrophobicContact SD-CD2 4.08Å; V341-L345 HydrophobicContact CG1-CD1 3.88Å; V341-L345 HydrophobicContact CG1-CG 4.22Å; V341-L345 WeakPolarHBondContact O-CB 3.43Å; V341-L345 WeakPolarHBondContact O-CG 3.38Å; V341-L345 PolarHBondContact O-N 3.25Å; L342-L345 PolarHBondContact O-N 3.47Å; L345-L347 PolarHBondContact O-N 3.31Å; L345-L348 PolarHBondContact O-N 2.98Å; L345-L349 WeakPolarHBondContact O-CD1 3.12Å; L345-L349 WeakPolarHBondContact O-CG 3.02Å; L345-L349 PolarHBondContact O-N 2.79Å; L345-L349 VanDerWaalsContact O-N 3.12Å
346	S	54	Low	55.6	Low	50 Å²	50	82.6 Å²	82.6	35%	0.35	44%	0.441	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.5	75.3	0	0	0	0	113	L342 Q343 W344 L349	L342-S346 WeakPolarHBondContact O-CB 3.49Å; L342-S346 PolarHBondContact O-N 2.64Å; Q343-S346 WeakPolarHBondContact CA-OG 3.46Å; Q343-S346 PolarHBondContact O-N 2.84Å; Q343-S346 PolarHBondContact O-OG 3.42Å; W344-S346 VanDerWaalsContact C-N 3.31Å; W344-S346 PolarHBondContact O-N 3.25Å; S346-L349 PolarHBondContact O-N 2.93Å
347	L	56.9	Low	58.4	Low	92 Å²	92	80.7 Å²	80.7	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-35.8	176.6	-72.3	164.4	0	0	0	111.9	Q343 W344 L345 L349 W350 K351	Q343-L347 WeakPolarHBondContact O-CG 3.46Å; Q343-L347 PolarHBondContact O-N 3.19Å; W344-L347 PolarHBondContact O-N 2.78Å; L345-L347 PolarHBondContact O-N 3.31Å; L347-L349 VanDerWaalsContact C-N 3.34Å; L347-W350 PolarHBondContact O-N 2.53Å; L347-K351 PolarHBondContact O-N 3.19Å
348	L	55.7	Low	61	Low	23 Å²	23	78.6 Å²	78.6	12%	0.12	40%	0.403	C	S	.	.	H	α-helix	trans	-70.4	-29.3	176.3	-72	163.5	0	0	0	113.4	M172 S175 V176 W344 L345 W350	M172-L348 HydrophobicContact CE-CB 3.89Å; M172-L348 HydrophobicContact CE-CD1 4.37Å; S175-L348 PolarHBondContact OG-O 2.89Å; V176-L348 HydrophobicContact CG2-CB 3.97Å; V176-L348 HydrophobicContact CG2-CD2 3.61Å; V176-L348 HydrophobicContact CG2-CG 4.27Å; W344-L348 HydrophobicContact CD2-CD1 3.5Å; W344-L348 VanDerWaalsContact CD2-CD1 3.5Å; W344-L348 HydrophobicContact CD2-CG 4.39Å; W344-L348 HydrophobicContact CE3-CD1 3.34Å; W344-L348 HydrophobicContact CG-CD1 4.37Å; W344-L348 HydrophobicContact CH2-CD1 3.43Å; W344-L348 VanDerWaalsContact CH2-CD1 3.43Å; W344-L348 HydrophobicContact CZ2-CD1 3.58Å; W344-L348 HydrophobicContact CZ3-CD1 3.31Å; W344-L348 WeakPolarHBondContact O-CG 3.33Å; W344-L348 PolarHBondContact O-N 3.48Å; L345-L348 PolarHBondContact O-N 2.98Å; L348-W350 PolarHBondContact O-N 2.9Å
349	L	56.6	Low	63.8	Low	91 Å²	91	73.8 Å²	73.8	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-70.1	-23	176.7	-76.9	158.7	0	0	0	112.5	M172 L345 S346 L347	M172-L349 HydrophobicContact CE-CD1 4.42Å; M172-L349 HydrophobicContact CE-CD2 4.35Å; M172-L349 HydrophobicContact CE-CG 3.9Å; M172-L349 HydrophobicContact SD-CD1 4.02Å; M172-L349 HydrophobicContact SD-CD2 3.75Å; M172-L349 HydrophobicContact SD-CG 3.78Å; L345-L349 WeakPolarHBondContact O-CD1 3.12Å; L345-L349 WeakPolarHBondContact O-CG 3.02Å; L345-L349 PolarHBondContact O-N 2.79Å; L345-L349 VanDerWaalsContact O-N 3.12Å; S346-L349 PolarHBondContact O-N 2.93Å; L347-L349 VanDerWaalsContact C-N 3.34Å
350	W	56.6	Low	66.2	Low	228 Å²	228	69.4 Å²	69.4	86%	0.864	35%	0.349	S	S	*	.	H	α-helix	trans	-101.3	-9.6	-177.9	-65.2	1.5	0	0	0	113.8	L347 L348	L347-W350 PolarHBondContact O-N 2.53Å; L348-W350 PolarHBondContact O-N 2.9Å
351	K	62.3	Low	68.1	Low	140 Å²	140	65.8 Å²	65.8	61%	0.609	33%	0.326	S	S	*	.	S	Bend	trans	-71.2	141.5	170.8	-78.2	-175.2	176.4	-175.3	0	110	L347	L347-K351 PolarHBondContact O-N 3.19Å
352	K	63.4	Low	70.2	Confident	171 Å²	171	62.8 Å²	62.8	74%	0.743	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-68.7	136.1	168.5	-72.3	-176.8	178.2	177.7	0	108	A354	K352-A354 PolarHBondContact O-N 2.96Å
353	P	60.6	Low	72.1	Confident	69 Å²	69	56.7 Å²	56.7	45%	0.448	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-61	127.4	178.4	23.5	-32.1	0	0	0	109.5	S175 V176	S175-P353 WeakPolarHBondContact O-CA 3.28Å; S175-P353 WeakPolarHBondContact O-CB 3.16Å; V176-P353 WeakPolarHBondContact O-CA 3.22Å
354	A	71.1	Confident	74.2	Confident	48 Å²	48	53 Å²	53	40%	0.397	26%	0.259	S	S	.	.			trans	-136.8	138.6	-177.6	0	0	0	0	0	109.7	V176 K352 L504	V176-A354 PolarHBondContact O-N 2.88Å; K352-A354 PolarHBondContact O-N 2.96Å; A354-L504 HydrophobicContact CB-CD2 3.92Å
355	G	83	Confident	76.2	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.031	24%	0.242	C	C	.	.			trans	78.1	162.7	-178.8	0	0	0	0	0	114.1	G178 Y500	G178-G355 PolarHBondContact N-O 2.9Å; G355-Y500 WeakPolarHBondContact CA-OH 3.45Å
356	S	88.3	Confident	78.1	Confident	10 Å²	10	47.2 Å²	47.2	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.6	170.9	72.4	0	0	0	0	111.2	S179 D326 M448 Y500	S179-S356 WeakPolarHBondContact O-CA 3.2Å; S179-S356 WeakPolarHBondContact OG-CB 3.37Å; D326-S356 PolarHBondContact N-O 3.44Å; D326-S356 VanDerWaalsContact OD2-CB 3.3Å; D326-S356 WeakPolarHBondContact OD2-CB 3.26Å; D326-S356 PolarHBondContact OD2-N 2.84Å; D326-S356 PolarHBondContact OD2-OG 3.33Å; S356-M448 WeakPolarHBondContact OG-CE 3.38Å; S356-Y500 PolarHBondContact N-OH 3.48Å
357	V	91.8	Very high	80	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.5	173.1	-174.7	0	0	0	0	108.4	F177 S179 I180 Q181 L214 I323 S324 Y325 I359	F177-V357 HydrophobicContact CD1-CG2 3.51Å; F177-V357 HydrophobicContact CD2-CG2 4.14Å; F177-V357 HydrophobicContact CE1-CG2 3.47Å; F177-V357 VanDerWaalsContact CE1-CG2 3.47Å; F177-V357 HydrophobicContact CE2-CG2 4.1Å; F177-V357 HydrophobicContact CG-CG2 3.84Å; F177-V357 HydrophobicContact CZ-CG2 3.78Å; S179-V357 PolarHBondContact O-N 2.71Å; I180-V357 CarbonylContact C-O 3.59Å; I180-V357 WeakPolarHBondContact CA-O 3.39Å; I180-V357 HydrophobicContact CG1-CB 4.3Å; Q181-V357 PolarHBondContact N-O 3.36Å; L214-V357 HydrophobicContact CD1-CG1 4.05Å; I323-V357 HydrophobicContact CG2-CG1 3.87Å; S324-V357 CarbonylContact O-C 3.16Å; S324-V357 VanDerWaalsContact O-CA 3.3Å; S324-V357 WeakPolarHBondContact O-CA 3.39Å; Y325-V357 HydrophobicContact CD1-CG1 4.26Å; Y325-V357 HydrophobicContact CD1-CG2 3.69Å; Y325-V357 HydrophobicContact CE1-CB 4.45Å; Y325-V357 HydrophobicContact CE1-CG1 3.91Å; Y325-V357 HydrophobicContact CE1-CG2 3.66Å; V357-I359 HydrophobicContact CG1-CG1 4.32Å
358	M	91.4	Very high	81.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.7	172.8	-167.8	170.2	-77.5	0	0	110.3	F73 Q181 I323 S324 H360 A446 M448 G489	F73-M358 HydrophobicContact CD1-CE 4.2Å; F73-M358 HydrophobicContact CD1-SD 4.32Å; F73-M358 HydrophobicContact CE1-CE 4.05Å; F73-M358 HydrophobicContact CE1-CG 4.49Å; F73-M358 HydrophobicContact CE1-SD 3.75Å; F73-M358 HydrophobicContact CZ-CE 4.45Å; F73-M358 HydrophobicContact CZ-SD 4.3Å; Q181-M358 HydrophobicContact CB-CE 4.18Å; Q181-M358 HydrophobicContact CB-CG 4.37Å; Q181-M358 CarbonylContact O-C 3.59Å; Q181-M358 WeakPolarHBondContact O-CA 3.48Å; Q181-M358 VanDerWaalsContact OE1-CE 3.3Å; I323-M358 WeakPolarHBondContact CA-O 3.36Å; S324-M358 PolarHBondContact N-O 3.18Å; S324-M358 PolarHBondContact O-N 3.22Å; M358-H360 VanDerWaalsContact CG-CE1 3.46Å; M358-H360 WeakPolarHBondContact CG-CE1 3.28Å; M358-H360 PolarHBondContact SD-CE1 2.82Å; M358-A446 HydrophobicContact SD-CB 4.01Å; M358-M448 HydrophobicContact CB-SD 4.48Å; M358-G489 VanDerWaalsContact CE-O 3.3Å; M358-G489 WeakPolarHBondContact CE-O 3.29Å
359	I	93.8	Very high	83.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.5	-178.4	-55	173.7	0	0	0	108.8	I180 Q181 V182 N183 L214 A218 V321 G322 I323 V357 L361	I180-I359 HydrophobicContact CG2-CD1 4.12Å; Q181-I359 PolarHBondContact O-N 3.05Å; V182-I359 WeakPolarHBondContact CA-O 3.45Å; V182-I359 HydrophobicContact CG2-CB 4.35Å; V182-I359 HydrophobicContact CG2-CD1 4.44Å; N183-I359 PolarHBondContact N-O 3.39Å; L214-I359 HydrophobicContact CB-CD1 4.11Å; A218-I359 HydrophobicContact CB-CD1 4.12Å; V321-I359 HydrophobicContact CG1-CG2 3.99Å; G322-I359 WeakPolarHBondContact O-CA 3.26Å; I323-I359 HydrophobicContact CG2-CG1 4.47Å; V357-I359 HydrophobicContact CG1-CG1 4.32Å; I359-L361 HydrophobicContact CG2-CD2 4.46Å
360	H	92.4	Very high	85.2	Confident	4 Å²	4	40 Å²	40	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.5	175.2	-69	73.8	0	0	0	109.7	N183 V321 G322 M358 C444 A446 D487	N183-H360 PolarHBondContact ND2-CD2 2.96Å; N183-H360 PolarHBondContact ND2-NE2 2.92Å; V321-H360 WeakPolarHBondContact CA-O 3.45Å; G322-H360 PolarHBondContact N-O 2.92Å; G322-H360 PolarHBondContact O-N 3.07Å; M358-H360 VanDerWaalsContact CG-CE1 3.46Å; M358-H360 WeakPolarHBondContact CG-CE1 3.28Å; M358-H360 PolarHBondContact SD-CE1 2.82Å; H360-C444 WeakPolarHBondContact CB-O 3.28Å; H360-A446 WeakPolarHBondContact CE1-CB 3.44Å; H360-D487 IonicContact CD2-OD2 3.36Å; H360-D487 IonicContact CE1-OD2 2.79Å; H360-D487 IonicContact NE2-OD2 3.19Å; H360-D487 PolarHBondContact NE2-OD2 2.93Å
361	L	93.6	Very high	86.8	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.7	168.8	-56.7	172.5	0	0	0	107.7	H186 L187 L190 Y202 L219 V321 I359	H186-L361 WeakPolarHBondContact CB-O 3.46Å; H186-L361 PolarHBondContact CD2-O 3.23Å; H186-L361 VanDerWaalsContact CD2-O 3.32Å; L187-L361 HydrophobicContact CD1-CD1 4.35Å; L190-L361 HydrophobicContact CD1-CB 3.91Å; L190-L361 HydrophobicContact CD1-CD1 3.76Å; L190-L361 HydrophobicContact CD1-CG 4.42Å; Y202-L361 HydrophobicContact CD1-CD2 4.33Å; Y202-L361 HydrophobicContact CE1-CD2 4.42Å; L219-L361 HydrophobicContact CD2-CD1 3.99Å; V321-L361 HydrophobicContact CB-CD2 4.36Å; V321-L361 HydrophobicContact CG1-CD2 3.9Å; V321-L361 HydrophobicContact CG2-CD2 3.61Å; I359-L361 HydrophobicContact CG2-CD2 4.46Å
362	S	92.6	Very high	88.1	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.028	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-80.6	173.6	178.6	77.3	0	0	0	0	112.1	G50 P320	G50-S362 WeakPolarHBondContact O-CA 3.38Å; G50-S362 VanDerWaalsContact O-CB 3.28Å; G50-S362 WeakPolarHBondContact O-CB 3.44Å; P320-S362 WeakPolarHBondContact CB-OG 3.37Å; P320-S362 WeakPolarHBondContact CD-OG 3.47Å; P320-S362 WeakPolarHBondContact CG-OG 3.33Å; P320-S362 VanDerWaalsContact O-CB 3.26Å; P320-S362 WeakPolarHBondContact O-CB 3.05Å; P320-S362 PolarHBondContact O-N 3.32Å; P320-S362 PolarHBondContact O-OG 3.05Å
363	Q	92.1	Very high	89	Confident	15 Å²	15	24 Å²	24	7%	0.07	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-60.4	132.2	169.4	-175.7	175.7	-1.2	0	0	110.1	G50 S60	G50-Q363 WeakPolarHBondContact O-CB 3.49Å; G50-Q363 PolarHBondContact O-N 2.71Å; S60-Q363 PolarHBondContact O-NE2 3Å
364	P	94.3	Very high	89.8	Confident	16 Å²	16	23.2 Å²	23.2	10%	0.104	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.2	141.9	172	27.1	-32.9	0	0	0	111	A189 L190 A193 L200 L318 V319	A189-P364 HydrophobicContact CB-CG 4.21Å; L190-P364 HydrophobicContact CD2-CB 4.1Å; L190-P364 HydrophobicContact CD2-CG 4Å; A193-P364 HydrophobicContact CB-CG 4.23Å; L200-P364 HydrophobicContact CD2-CB 4.17Å; L318-P364 WeakPolarHBondContact O-CA 3.25Å; V319-P364 HydrophobicContact CG2-CB 3.89Å
365	F	94.2	Very high	90.4	Very high	4 Å²	4	28 Å²	28	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153	173.7	62.8	-96.7	0	0	0	112.3	C52 T57 S317 L318 P320 M370 L437	C52-F365 HydrophobicContact CB-CB 3.77Å; C52-F365 HydrophobicContact CB-CD1 3.74Å; C52-F365 HydrophobicContact CB-CG 4.05Å; T57-F365 HydrophobicContact CG2-CB 4.1Å; T57-F365 HydrophobicContact CG2-CD2 3.74Å; T57-F365 HydrophobicContact CG2-CE2 4.49Å; T57-F365 HydrophobicContact CG2-CG 4.14Å; S317-F365 CarbonylContact C-O 3.46Å; S317-F365 VanDerWaalsContact CA-O 3.32Å; S317-F365 WeakPolarHBondContact CA-O 3.34Å; L318-F365 HydrophobicContact CB-CD2 4.21Å; L318-F365 HydrophobicContact CB-CE1 4.25Å; L318-F365 HydrophobicContact CB-CE2 3.73Å; L318-F365 HydrophobicContact CB-CZ 3.76Å; L318-F365 HydrophobicContact CD1-CE2 3.75Å; L318-F365 HydrophobicContact CD1-CZ 4.17Å; L318-F365 HydrophobicContact CG-CE2 4.35Å; L318-F365 PolarHBondContact N-O 3.39Å; L318-F365 PolarHBondContact O-N 3.36Å; P320-F365 HydrophobicContact CG-CE1 3.77Å; P320-F365 HydrophobicContact CG-CZ 4.45Å; F365-M370 HydrophobicContact CD2-SD 4.28Å; F365-M370 HydrophobicContact CE2-SD 3.52Å; F365-M370 VanDerWaalsContact CE2-SD 3.52Å; F365-M370 HydrophobicContact CZ-SD 4.18Å; F365-L437 HydrophobicContact CE1-CD2 4.46Å; F365-L437 HydrophobicContact CZ-CD2 3.79Å
366	S	95.1	Very high	90.1	Very high	17 Å²	17	27.9 Å²	27.9	12%	0.119	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.3	-179.7	167.3	0	0	0	0	111.9	S60 D315 K368 E369 M370	S60-S366 PolarHBondContact OG-N 3.42Å; D315-S366 PolarHBondContact OD1-OG 2.99Å; D315-S366 VanDerWaalsContact OD2-CB 3.24Å; D315-S366 WeakPolarHBondContact OD2-CB 3.24Å; D315-S366 PolarHBondContact OD2-OG 2.8Å; S366-K368 PolarHBondContact OG-N 3.05Å; S366-E369 WeakPolarHBondContact OG-CB 3.49Å; S366-E369 PolarHBondContact OG-N 2.87Å; S366-M370 PolarHBondContact O-N 3.42Å
367	L	94.4	Very high	89.3	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-69.2	-37.8	172.1	175.3	53.3	0	0	0	111	I304 I308 V316 L318 M370 C371 I433	I304-L367 HydrophobicContact CG2-CD2 3.9Å; I308-L367 HydrophobicContact CD1-CB 4.2Å; I308-L367 HydrophobicContact CD1-CD2 3.71Å; I308-L367 HydrophobicContact CD1-CG 3.94Å; V316-L367 WeakPolarHBondContact O-CB 3.41Å; V316-L367 PolarHBondContact O-N 3.18Å; L318-L367 HydrophobicContact CD1-CB 3.82Å; L318-L367 HydrophobicContact CD1-CD1 3.71Å; L318-L367 HydrophobicContact CD1-CD2 4.23Å; L318-L367 HydrophobicContact CD1-CG 4.11Å; L318-L367 HydrophobicContact CG-CB 4.11Å; L367-M370 PolarHBondContact O-N 3.14Å; L367-C371 PolarHBondContact O-N 3.26Å; L367-C371 PolarHBondContact O-SG 2.97Å; L367-I433 HydrophobicContact CD1-CD1 4.04Å; L367-I433 HydrophobicContact CD1-CG2 4.17Å
368	K	93.3	Very high	88.2	Confident	82 Å²	82	34.3 Å²	34.3	36%	0.357	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-47.5	176.4	-178	173.5	176.9	176.5	0	111.3	I308 P314 D315 S366 M370 C371 E372	I308-K368 HydrophobicContact CG2-CB 4.25Å; I308-K368 HydrophobicContact CG2-CG 4.37Å; P314-K368 WeakPolarHBondContact O-CD 3.39Å; D315-K368 HydrophobicContact CB-CB 4.09Å; D315-K368 HydrophobicContact CB-CD 4.4Å; D315-K368 VanDerWaalsContact CG-CB 3.46Å; D315-K368 WeakPolarHBondContact OD1-CB 3.29Å; D315-K368 PolarHBondContact OD1-N 3.06Å; S366-K368 PolarHBondContact OG-N 3.05Å; K368-M370 VanDerWaalsContact C-N 3.3Å; K368-M370 PolarHBondContact O-N 3.31Å; K368-C371 PolarHBondContact O-N 2.97Å; K368-E372 WeakPolarHBondContact CE-OE1 3.32Å; K368-E372 HydrophobicContact CG-CG 4.3Å; K368-E372 WeakPolarHBondContact CG-OE1 3.38Å; K368-E372 IonicContact NZ-OE1 3.04Å; K368-E372 WeakPolarHBondContact O-CB 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.22Å; K368-E372 PolarHBondContact O-N 3.33Å
369	E	93.7	Very high	87.4	Confident	21 Å²	21	36 Å²	36	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-55.6	-47.2	174.8	-178.6	-170.5	173.4	0	0	111.3	T57 P58 N59 S60 S366 C371 E372 S373	T57-E369 WeakPolarHBondContact CA-OE1 3.23Å; P58-E369 VanDerWaalsContact CD-OE1 3.31Å; P58-E369 WeakPolarHBondContact CD-OE1 3.47Å; N59-E369 WeakPolarHBondContact CA-OE1 3.17Å; N59-E369 VanDerWaalsContact CB-OE1 3.24Å; N59-E369 WeakPolarHBondContact CB-OE1 3.38Å; N59-E369 PolarHBondContact N-OE1 3.19Å; S60-E369 VanDerWaalsContact CB-OE2 3.31Å; S60-E369 WeakPolarHBondContact CB-OE2 3.28Å; S60-E369 PolarHBondContact N-OE1 3.18Å; S60-E369 PolarHBondContact N-OE2 3.06Å; S60-E369 PolarHBondContact OG-OE2 3.37Å; S366-E369 WeakPolarHBondContact OG-CB 3.49Å; S366-E369 PolarHBondContact OG-N 2.87Å; E369-C371 VanDerWaalsContact C-N 3.31Å; E369-C371 PolarHBondContact O-N 2.86Å; E369-E372 PolarHBondContact O-N 3.48Å; E369-S373 WeakPolarHBondContact O-CB 3.07Å; E369-S373 PolarHBondContact O-N 3.39Å
370	M	92.2	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-39.8	-179.8	-173.7	158.7	128.9	0	0	112.2	C56 T57 F365 S366 L367 K368 S373 C376 I433 H436	C56-M370 HydrophobicContact CB-CG 4.22Å; T57-M370 HydrophobicContact CG2-CB 3.82Å; T57-M370 HydrophobicContact CG2-CG 4.28Å; T57-M370 HydrophobicContact CG2-SD 4.39Å; F365-M370 HydrophobicContact CD2-SD 4.28Å; F365-M370 HydrophobicContact CE2-SD 3.52Å; F365-M370 VanDerWaalsContact CE2-SD 3.52Å; F365-M370 HydrophobicContact CZ-SD 4.18Å; S366-M370 PolarHBondContact O-N 3.42Å; L367-M370 PolarHBondContact O-N 3.14Å; K368-M370 VanDerWaalsContact C-N 3.3Å; K368-M370 PolarHBondContact O-N 3.31Å; M370-S373 PolarHBondContact O-OG 3.01Å; M370-C376 WeakPolarHBondContact CG-SG 3.48Å; M370-C376 PolarHBondContact O-SG 3.03Å; M370-C376 VanDerWaalsContact O-SG 3.4Å; M370-I433 HydrophobicContact CE-CB 3.74Å; M370-I433 HydrophobicContact CE-CG1 3.53Å; M370-I433 HydrophobicContact CE-CG2 3.65Å; M370-H436 HydrophobicContact CE-CB 4.07Å
371	C	89.9	Confident	86.5	Confident	29 Å²	29	43 Å²	43	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-47.4	175.6	-63.4	0	0	0	0	112.4	L367 K368 E369 S373 G374	L367-C371 PolarHBondContact O-N 3.26Å; L367-C371 PolarHBondContact O-SG 2.97Å; K368-C371 PolarHBondContact O-N 2.97Å; E369-C371 VanDerWaalsContact C-N 3.31Å; E369-C371 PolarHBondContact O-N 2.86Å; C371-S373 VanDerWaalsContact C-N 3.31Å; C371-S373 PolarHBondContact O-N 3.11Å; C371-G374 PolarHBondContact O-N 3.44Å
372	E	88.4	Confident	86.2	Confident	139 Å²	139	44.1 Å²	44.1	65%	0.65	23%	0.227	S	C	*	.	H	α-helix	trans	-71.1	-26	-175.8	-71.8	176	170.3	0	0	112.7	K368 E369 G374	K368-E372 WeakPolarHBondContact CE-OE1 3.32Å; K368-E372 HydrophobicContact CG-CG 4.3Å; K368-E372 WeakPolarHBondContact CG-OE1 3.38Å; K368-E372 IonicContact NZ-OE1 3.04Å; K368-E372 WeakPolarHBondContact O-CB 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.22Å; K368-E372 PolarHBondContact O-N 3.33Å; E369-E372 PolarHBondContact O-N 3.48Å; E372-G374 PolarHBondContact O-N 3.16Å
373	S	82.8	Confident	86	Confident	35 Å²	35	45.7 Å²	45.7	25%	0.245	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.5	178.5	73.7	0	0	0	0	113.3	C56 E369 M370 C371 R375	C56-S373 PolarHBondContact O-OG 3.04Å; E369-S373 WeakPolarHBondContact O-CB 3.07Å; E369-S373 PolarHBondContact O-N 3.39Å; M370-S373 PolarHBondContact O-OG 3.01Å; C371-S373 VanDerWaalsContact C-N 3.31Å; C371-S373 PolarHBondContact O-N 3.11Å; S373-R375 WeakPolarHBondContact O-CG 3.5Å; S373-R375 PolarHBondContact O-N 3.44Å; S373-R375 PolarHBondContact OG-N 3.33Å
374	G	78.1	Confident	85.9	Confident	51 Å²	51	45 Å²	45	53%	0.526	24%	0.235	S	C	.	.			trans	64.6	-4.1	-171.7	0	0	0	0	0	114.8	C371 E372 C376	C371-G374 PolarHBondContact O-N 3.44Å; E372-G374 PolarHBondContact O-N 3.16Å; G374-C376 PolarHBondContact O-N 3.13Å
375	R	82.3	Confident	85.7	Confident	149 Å²	149	48.1 Å²	48.1	56%	0.562	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.1	-170.7	-69.5	167	-169.7	-153.4	1.3	114.2	Q55 S373 R377 C615	Q55-R375 WeakPolarHBondContact O-CD 3.42Å; S373-R375 WeakPolarHBondContact O-CG 3.5Å; S373-R375 PolarHBondContact O-N 3.44Å; S373-R375 PolarHBondContact OG-N 3.33Å; R375-R377 PolarHBondContact O-N 3.49Å; R375-C615 VanDerWaalsContact O-CB 3.25Å; R375-C615 WeakPolarHBondContact O-CB 3.28Å
376	C	76.8	Confident	85.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13	175.4	-68.6	0	0	0	0	113	M370 G374 L429 A432 P614 C615	M370-C376 WeakPolarHBondContact CG-SG 3.48Å; M370-C376 PolarHBondContact O-SG 3.03Å; M370-C376 VanDerWaalsContact O-SG 3.4Å; G374-C376 PolarHBondContact O-N 3.13Å; C376-L429 HydrophobicContact CB-CD1 4.22Å; C376-A432 HydrophobicContact CB-CB 4.45Å; C376-P614 CarbonylContact O-C 3.58Å; C376-P614 VanDerWaalsContact O-C 3.29Å; C376-C615 PolarHBondContact O-N 3.26Å
377	R	72.2	Confident	85.2	Confident	56 Å²	56	50.6 Å²	50.6	21%	0.211	26%	0.26	C	S	.	.			trans	-137.3	127.4	179.2	-60.2	156.8	174.6	-101.1	-91.3	107.9	R375 S425 D428 L429 A432	R375-R377 PolarHBondContact O-N 3.49Å; R377-S425 PolarHBondContact NH1-O 3.28Å; R377-D428 PolarHBondContact NH2-O 2.92Å; R377-L429 VanDerWaalsContact CZ-CA 3.43Å; R377-A432 HydrophobicContact CG-CB 3.72Å
378	V	67.8	Low	85	Confident	89 Å²	89	50.5 Å²	50.5	54%	0.539	26%	0.259	S	S	.	.			trans	-108.3	-47.3	177.2	179.1	0	0	0	0	109.7	C615	V378-C615 WeakPolarHBondContact CG2-O 3.25Å
379	D	75.3	Confident	84.8	Confident	37 Å²	37	48.2 Å²	48.2	20%	0.198	25%	0.251	C	S	.	.	S	Bend	trans	-88.9	158.6	-178.4	-58.9	-18.4	0	0	0	112.6	K403 S617 T618	D379-K403 HydrophobicContact CB-CB 3.93Å; D379-S617 WeakPolarHBondContact OD1-CB 3.49Å; D379-S617 WeakPolarHBondContact OD2-CA 3.44Å; D379-S617 WeakPolarHBondContact OD2-CB 3.49Å; D379-T618 PolarHBondContact OD2-N 2.69Å
380	E	82	Confident	84.5	Confident	140 Å²	140	48.9 Å²	48.9	65%	0.654	26%	0.257	S	S	*	.			trans	-66.6	136.9	163.3	-171.8	172.1	-176.6	0	0	110.4	L382 G402 K403	E380-L382 HydrophobicContact CG-CD2 4.12Å; E380-L382 HydrophobicContact CG-CG 4.43Å; E380-G402 CarbonylContact O-C 3.58Å; E380-G402 VanDerWaalsContact O-CA 3.29Å; E380-G402 WeakPolarHBondContact O-CA 3.28Å; E380-K403 PolarHBondContact O-N 2.95Å
381	W	85.3	Confident	84.2	Confident	13 Å²	13	50 Å²	50	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.2	-176.8	-77.5	35.3	0	0	0	110.1	K403 R405 V431 A432 L435 P614	W381-K403 CarbonylContact C-O 3.57Å; W381-K403 VanDerWaalsContact CA-O 3.29Å; W381-K403 WeakPolarHBondContact CA-O 3.34Å; W381-K403 HydrophobicContact CZ2-CD 4.48Å; W381-R405 HydrophobicContact CB-CB 4.24Å; W381-R405 HydrophobicContact CB-CG 4.44Å; W381-R405 HydrophobicContact CE3-CG 4.32Å; W381-R405 VanDerWaalsContact O-CZ 3.27Å; W381-R405 PolarHBondContact O-NE 3.25Å; W381-R405 PolarHBondContact O-NH2 2.98Å; W381-V431 HydrophobicContact CH2-CB 4.22Å; W381-V431 HydrophobicContact CH2-CG1 3.9Å; W381-V431 HydrophobicContact CZ3-CB 3.93Å; W381-V431 HydrophobicContact CZ3-CG1 3.58Å; W381-A432 HydrophobicContact CH2-CB 4Å; W381-A432 HydrophobicContact CZ2-CB 3.87Å; W381-L435 HydrophobicContact CH2-CD1 3.76Å; W381-L435 HydrophobicContact CZ3-CD1 4.44Å; W381-P614 HydrophobicContact CZ2-CB 4.35Å
382	L	87.6	Confident	84.1	Confident	27 Å²	27	48.8 Å²	48.8	14%	0.141	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.7	-176.4	-62.3	175.1	0	0	0	110.9	E380 L387 V400 K403 R405	E380-L382 HydrophobicContact CG-CD2 4.12Å; E380-L382 HydrophobicContact CG-CG 4.43Å; L382-L387 HydrophobicContact CB-CD1 4.36Å; L382-L387 HydrophobicContact CB-CD2 4.18Å; L382-L387 HydrophobicContact CB-CG 4.08Å; L382-L387 HydrophobicContact CD1-CD2 3.98Å; L382-V400 HydrophobicContact CD1-CG1 3.76Å; L382-K403 PolarHBondContact N-O 2.69Å; L382-R405 WeakPolarHBondContact O-CB 3.46Å; L382-R405 PolarHBondContact O-N 3.06Å
383	P	88.1	Confident	84	Confident	38 Å²	38	44 Å²	44	25%	0.247	23%	0.234	C	C	.	.			trans	-47.7	140.4	163.2	-28	37	0	0	0	111.4	Q385 D386 L387	P383-Q385 HydrophobicContact CB-CG 3.84Å; P383-Q385 PolarHBondContact O-N 3.36Å; P383-D386 WeakPolarHBondContact CD-OD2 3.44Å; P383-D386 WeakPolarHBondContact CG-OD2 3.25Å; P383-D386 PolarHBondContact O-N 3.11Å; P383-L387 PolarHBondContact O-N 3.39Å
384	L	89.7	Confident	83.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-29.1	179.7	-177.2	59.5	0	0	0	111.8	D386 L387 L388 R404 H605 T757 D760 L761	L384-D386 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 2.98Å; L384-L387 PolarHBondContact O-N 3.23Å; L384-L388 HydrophobicContact CD1-CD1 3.59Å; L384-L388 HydrophobicContact CD1-CG 3.86Å; L384-L388 HydrophobicContact CG-CD1 4.23Å; L384-L388 PolarHBondContact O-N 3.18Å; L384-R404 HydrophobicContact CB-CG 4.17Å; L384-R404 HydrophobicContact CD1-CB 4.43Å; L384-R404 HydrophobicContact CD1-CG 4.29Å; L384-H605 HydrophobicContact CD1-CB 3.7Å; L384-T757 HydrophobicContact CD2-CG2 4.02Å; L384-D760 HydrophobicContact CB-CB 3.87Å; L384-D760 WeakPolarHBondContact CB-O 3.21Å; L384-D760 HydrophobicContact CD2-CB 3.96Å; L384-L761 HydrophobicContact CD2-CD1 4.48Å; L384-L761 HydrophobicContact CD2-CD2 3.97Å; L384-L761 HydrophobicContact CD2-CG 3.64Å; L384-L761 HydrophobicContact CG-CD2 3.74Å; L384-L761 HydrophobicContact CG-CG 3.95Å
385	Q	90.8	Very high	83.7	Confident	80 Å²	80	50.8 Å²	50.8	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-55.7	-42.5	174	86.6	-168.8	21.3	0	0	112	P383 L387 L389 P390 D760	P383-Q385 HydrophobicContact CB-CG 3.84Å; P383-Q385 PolarHBondContact O-N 3.36Å; Q385-L387 VanDerWaalsContact C-N 3.33Å; Q385-L387 PolarHBondContact O-N 2.97Å; Q385-L389 HydrophobicContact CB-CD1 3.67Å; Q385-L389 HydrophobicContact CB-CG 4.12Å; Q385-L389 WeakPolarHBondContact O-CB 3.39Å; Q385-L389 WeakPolarHBondContact O-CG 3.46Å; Q385-L389 PolarHBondContact O-N 3.33Å; Q385-P390 WeakPolarHBondContact O-CD 3.19Å; Q385-D760 PolarHBondContact N-O 3.1Å
386	D	89	Confident	83.2	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-76	-27.8	-175.3	-59.2	-19.8	0	0	0	110.9	P383 L384	P383-D386 WeakPolarHBondContact CD-OD2 3.44Å; P383-D386 WeakPolarHBondContact CG-OD2 3.25Å; P383-D386 PolarHBondContact O-N 3.11Å; L384-D386 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 2.98Å
387	L	89	Confident	82.3	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-78.8	-40	178.5	-64.7	169.2	0	0	0	112.6	L382 P383 L384 Q385 V400 R404	L382-L387 HydrophobicContact CB-CD1 4.36Å; L382-L387 HydrophobicContact CB-CD2 4.18Å; L382-L387 HydrophobicContact CB-CG 4.08Å; L382-L387 HydrophobicContact CD1-CD2 3.98Å; P383-L387 PolarHBondContact O-N 3.39Å; L384-L387 PolarHBondContact O-N 3.23Å; Q385-L387 VanDerWaalsContact C-N 3.33Å; Q385-L387 PolarHBondContact O-N 2.97Å; L387-V400 HydrophobicContact CD2-CB 4.25Å; L387-V400 HydrophobicContact CD2-CG1 3.97Å; L387-R404 HydrophobicContact CD1-CB 4.36Å
388	L	90.8	Very high	81.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-116.9	-27.9	-169.5	-68.1	-173.9	0	0	0	115.4	L384 V391 I392 Q602 H605 L606 L761 F793	L384-L388 HydrophobicContact CD1-CD1 3.59Å; L384-L388 HydrophobicContact CD1-CG 3.86Å; L384-L388 HydrophobicContact CG-CD1 4.23Å; L384-L388 PolarHBondContact O-N 3.18Å; L388-V391 PolarHBondContact O-N 3.01Å; L388-I392 HydrophobicContact CB-CD1 3.81Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.34Å; L388-I392 WeakPolarHBondContact O-CG1 3.49Å; L388-I392 PolarHBondContact O-N 3.44Å; L388-Q602 HydrophobicContact CD2-CB 4.33Å; L388-Q602 HydrophobicContact CD2-CG 4.43Å; L388-H605 HydrophobicContact CD1-CB 3.95Å; L388-H605 HydrophobicContact CD2-CB 4.28Å; L388-H605 HydrophobicContact CG-CB 4.15Å; L388-L606 HydrophobicContact CD1-CD2 3.59Å; L388-L606 HydrophobicContact CD1-CG 3.95Å; L388-L761 HydrophobicContact CB-CD2 3.88Å; L388-L761 HydrophobicContact CD1-CD2 4.15Å; L388-F793 HydrophobicContact CD1-CE1 4.37Å; L388-F793 HydrophobicContact CD2-CZ 4.09Å
389	L	88.6	Confident	81.4	Confident	33 Å²	33	56 Å²	56	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-39.4	-179.5	-69.2	179.6	0	0	0	113.7	Q385 V391 I392 I393 L761 F781	Q385-L389 HydrophobicContact CB-CD1 3.67Å; Q385-L389 HydrophobicContact CB-CG 4.12Å; Q385-L389 WeakPolarHBondContact O-CB 3.39Å; Q385-L389 WeakPolarHBondContact O-CG 3.46Å; Q385-L389 PolarHBondContact O-N 3.33Å; L389-V391 PolarHBondContact O-N 3.33Å; L389-I392 PolarHBondContact O-N 3.05Å; L389-I393 HydrophobicContact CD2-CG1 4.41Å; L389-I393 WeakPolarHBondContact O-CB 3.49Å; L389-I393 PolarHBondContact O-N 3.43Å; L389-L761 WeakPolarHBondContact CD1-O 3.43Å; L389-F781 HydrophobicContact CD2-CE2 3.83Å; L389-F781 HydrophobicContact CD2-CZ 3.62Å
390	P	87.7	Confident	81	Confident	36 Å²	36	56.9 Å²	56.9	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-36.2	175.6	-25.1	35.3	0	0	0	112.5	Q385 N394 N395 R396	Q385-P390 WeakPolarHBondContact O-CD 3.19Å; P390-N394 CarbonylContact O-C 3.48Å; P390-N394 WeakPolarHBondContact O-CA 3.29Å; P390-N394 VanDerWaalsContact O-CB 3.29Å; P390-N394 WeakPolarHBondContact O-CB 3.38Å; P390-N394 PolarHBondContact O-N 3.22Å; P390-N394 VanDerWaalsContact O-N 3.15Å; P390-N395 PolarHBondContact O-N 2.92Å; P390-R396 PolarHBondContact O-N 3.47Å
391	V	86.6	Confident	80.6	Confident	22 Å²	22	56.2 Å²	56.2	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-47.3	176.7	-176.2	0	0	0	0	110.6	L388 L389 N395 F793	L388-V391 PolarHBondContact O-N 3.01Å; L389-V391 PolarHBondContact O-N 3.33Å; V391-N395 WeakPolarHBondContact O-CA 3.38Å; V391-N395 PolarHBondContact O-N 2.93Å; V391-F793 HydrophobicContact CG1-CE2 3.98Å
392	I	88.2	Confident	80.5	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-41.6	-173.8	-66.1	162.9	0	0	0	112.5	L388 L389 L761 K789 L790 F793	L388-I392 HydrophobicContact CB-CD1 3.81Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.34Å; L388-I392 WeakPolarHBondContact O-CG1 3.49Å; L388-I392 PolarHBondContact O-N 3.44Å; L389-I392 PolarHBondContact O-N 3.05Å; I392-L761 HydrophobicContact CD1-CD2 4.14Å; I392-K789 HydrophobicContact CG2-CB 4.47Å; I392-L790 HydrophobicContact CD1-CD1 3.88Å; I392-L790 HydrophobicContact CG2-CB 4.15Å; I392-L790 HydrophobicContact CG2-CD1 4.39Å; I392-F793 HydrophobicContact CD1-CD1 3.85Å; I392-F793 HydrophobicContact CD1-CE1 3.98Å; I392-F793 HydrophobicContact CD1-CG 4.32Å; I392-F793 HydrophobicContact CG1-CB 4.13Å; I392-F793 HydrophobicContact CG1-CD1 3.65Å; I392-F793 HydrophobicContact CG1-CD2 3.88Å; I392-F793 HydrophobicContact CG1-CE1 3.95Å; I392-F793 HydrophobicContact CG1-CE2 4.18Å; I392-F793 HydrophobicContact CG1-CG 3.6Å; I392-F793 HydrophobicContact CG1-CZ 4.21Å; I392-F793 HydrophobicContact CG2-CB 4.46Å
393	I	86.1	Confident	80.4	Confident	39 Å²	39	55.2 Å²	55.2	20%	0.2	29%	0.293	C	S	.	.	H	α-helix	trans	-97.1	-43.6	-171.9	-57	-62.4	0	0	0	111.7	L389 F781 N786	L389-I393 HydrophobicContact CD2-CG1 4.41Å; L389-I393 WeakPolarHBondContact O-CB 3.49Å; L389-I393 PolarHBondContact O-N 3.43Å; I393-F781 HydrophobicContact CD1-CE1 4.33Å; I393-F781 HydrophobicContact CD1-CZ 4.17Å; I393-N786 HydrophobicContact CD1-CB 3.93Å
394	N	80.5	Confident	80.4	Confident	100 Å²	100	54 Å²	54	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-101	0	-172.4	-57.7	-27.8	0	0	0	113.2	P390 R396	P390-N394 CarbonylContact O-C 3.48Å; P390-N394 WeakPolarHBondContact O-CA 3.29Å; P390-N394 VanDerWaalsContact O-CB 3.29Å; P390-N394 WeakPolarHBondContact O-CB 3.38Å; P390-N394 PolarHBondContact O-N 3.22Å; P390-N394 VanDerWaalsContact O-N 3.15Å; N394-R396 HydrophobicContact CB-CG 4.05Å; N394-R396 PolarHBondContact O-N 2.97Å; N394-R396 VanDerWaalsContact O-N 3.08Å
395	N	74.4	Confident	80.3	Confident	128 Å²	128	57.7 Å²	57.7	68%	0.684	30%	0.297	S	S	*	.			trans	49.2	32.7	-174.8	-64.2	-22.5	0	0	0	113.1	P390 V391	P390-N395 PolarHBondContact O-N 2.92Å; V391-N395 WeakPolarHBondContact O-CA 3.38Å; V391-N395 PolarHBondContact O-N 2.93Å
396	R	70.5	Confident	80	Confident	152 Å²	152	54.8 Å²	54.8	57%	0.574	28%	0.284	S	S	*	.			trans	-75.6	132.1	175.5	-72	-168.8	-179	-169.1	-0.3	109.6	P390 N394	P390-R396 PolarHBondContact O-N 3.47Å; N394-R396 HydrophobicContact CB-CG 4.05Å; N394-R396 PolarHBondContact O-N 2.97Å; N394-R396 VanDerWaalsContact O-N 3.08Å
397	S	58.4	Low	79.3	Confident	81 Å²	81	53.8 Å²	53.8	57%	0.566	28%	0.282	S	S	*	.			trans	-92	0.9	176.5	54.6	0	0	0	0	113.6	S399	S397-S399 PolarHBondContact O-N 2.73Å
398	D	60.4	Low	78.8	Confident	119 Å²	119	55 Å²	55	64%	0.636	29%	0.286	S	S	*	.			trans	-71	106.8	178.4	-63.8	-30.2	0	0	0	109.1	V400	D398-V400 PolarHBondContact O-N 3.45Å
399	S	60.3	Low	78.3	Confident	51 Å²	51	55 Å²	55	36%	0.357	29%	0.286	S	S	.	.			trans	-64	110.1	179	60.9	0	0	0	0	110.1	S397 F401	S397-S399 PolarHBondContact O-N 2.73Å; S399-F401 PolarHBondContact O-N 2.97Å
400	V	66.5	Low	77.9	Confident	56 Å²	56	53.7 Å²	53.7	34%	0.339	28%	0.279	S	S	.	.			trans	-75.4	114.3	172	-177.3	0	0	0	0	108.3	L382 L387 D398 G402	L382-V400 HydrophobicContact CD1-CG1 3.76Å; L387-V400 HydrophobicContact CD2-CB 4.25Å; L387-V400 HydrophobicContact CD2-CG1 3.97Å; D398-V400 PolarHBondContact O-N 3.45Å; V400-G402 PolarHBondContact O-N 3.33Å
401	F	75.1	Confident	76.9	Confident	127 Å²	127	54.3 Å²	54.3	56%	0.557	28%	0.283	S	S	*	.			trans	-71.5	125.9	176.4	-63.4	-78.1	0	0	0	110.2	S399	S399-F401 PolarHBondContact O-N 2.97Å
402	G	81.9	Confident	75.7	Confident	6 Å²	6	57.1 Å²	57.1	6%	0.062	30%	0.301	C	S	.	.			trans	166.2	-179.8	177.6	0	0	0	0	0	113.2	E380 V400 H605 T618	E380-G402 CarbonylContact O-C 3.58Å; E380-G402 VanDerWaalsContact O-CA 3.29Å; E380-G402 WeakPolarHBondContact O-CA 3.28Å; V400-G402 PolarHBondContact O-N 3.33Å; G402-H605 PolarHBondContact O-CE1 3.34Å; G402-T618 PolarHBondContact O-OG1 3.05Å; G402-T618 VanDerWaalsContact O-OG1 3.14Å
403	K	85.1	Confident	74.1	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.5	174.7	-168.4	169.6	-164.2	127.6	0	110	D379 E380 W381 L382 R405 M612 P613 P614 Q616	D379-K403 HydrophobicContact CB-CB 3.93Å; E380-K403 PolarHBondContact O-N 2.95Å; W381-K403 CarbonylContact C-O 3.57Å; W381-K403 VanDerWaalsContact CA-O 3.29Å; W381-K403 WeakPolarHBondContact CA-O 3.34Å; W381-K403 HydrophobicContact CZ2-CD 4.48Å; L382-K403 PolarHBondContact N-O 2.69Å; K403-R405 PolarHBondContact O-N 3.37Å; K403-M612 HydrophobicContact CG-CE 4.5Å; K403-P613 PolarHBondContact NZ-O 2.97Å; K403-P614 PolarHBondContact NZ-O 3.22Å; K403-Q616 PolarHBondContact NZ-O 3.16Å
404	R	88.7	Confident	72.3	Confident	12 Å²	12	64 Å²	64	5%	0.045	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	121.8	176.8	172.8	177.6	175.7	178.9	-1.1	110.5	L384 L387 M406 H605 T757 D760	L384-R404 HydrophobicContact CB-CG 4.17Å; L384-R404 HydrophobicContact CD1-CB 4.43Å; L384-R404 HydrophobicContact CD1-CG 4.29Å; L387-R404 HydrophobicContact CD1-CB 4.36Å; R404-M406 HydrophobicContact CG-CE 4.32Å; R404-M406 HydrophobicContact CG-CG 4.28Å; R404-H605 VanDerWaalsContact CD-O 3.28Å; R404-H605 WeakPolarHBondContact CD-O 3.22Å; R404-H605 PolarHBondContact NH1-O 2.72Å; R404-H605 VanDerWaalsContact NH1-O 3.14Å; R404-T757 PolarHBondContact NH2-OG1 2.91Å; R404-D760 IonicContact CZ-OD2 3.42Å; R404-D760 VanDerWaalsContact CZ-OD2 3.26Å; R404-D760 IonicContact NE-OD2 3.21Å; R404-D760 PolarHBondContact NE-OD2 2.86Å; R404-D760 IonicContact NH2-OD2 2.7Å; R404-D760 PolarHBondContact NH2-OD2 2.94Å
405	R	86.9	Confident	70.2	Confident	79 Å²	79	63.6 Å²	63.6	30%	0.298	34%	0.338	S	S	.	.			trans	-74.4	123.7	172.2	-170.9	-177	-66.7	-171.7	-3.4	110.2	W381 L382 K403	W381-R405 HydrophobicContact CB-CB 4.24Å; W381-R405 HydrophobicContact CB-CG 4.44Å; W381-R405 HydrophobicContact CE3-CG 4.32Å; W381-R405 VanDerWaalsContact O-CZ 3.27Å; W381-R405 PolarHBondContact O-NE 3.25Å; W381-R405 PolarHBondContact O-NH2 2.98Å; L382-R405 WeakPolarHBondContact O-CB 3.46Å; L382-R405 PolarHBondContact O-N 3.06Å; K403-R405 PolarHBondContact O-N 3.37Å
406	M	84.5	Confident	68.2	Low	19 Å²	19	60.6 Å²	60.6	9%	0.094	33%	0.331	C	S	.	.			trans	-113.3	57.5	-179.9	-63.1	173.5	177.2	0	0	111.1	R404 W408 L409 V431 L435 P609	R404-M406 HydrophobicContact CG-CE 4.32Å; R404-M406 HydrophobicContact CG-CG 4.28Å; M406-W408 PolarHBondContact O-N 2.85Å; M406-W408 VanDerWaalsContact O-N 3.16Å; M406-L409 HydrophobicContact CB-CD1 3.79Å; M406-L409 HydrophobicContact CB-CG 4.25Å; M406-L409 WeakPolarHBondContact O-CB 3.34Å; M406-L409 PolarHBondContact O-N 2.96Å; M406-L409 VanDerWaalsContact O-N 3.15Å; M406-L409 HydrophobicContact SD-CD1 4.22Å; M406-V431 HydrophobicContact CB-CG1 4.34Å; M406-L435 HydrophobicContact SD-CD1 3.91Å; M406-L435 HydrophobicContact SD-CD2 3.97Å; M406-P609 HydrophobicContact CE-CB 4.23Å; M406-P609 HydrophobicContact SD-CB 3.71Å
407	S	75.4	Confident	66.7	Low	47 Å²	47	57.9 Å²	57.9	33%	0.329	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.7	-173.7	51.9	0	0	0	0	113.5	L409 L410	S407-L409 PolarHBondContact O-N 3.13Å; S407-L410 CarbonylContact O-C 3.53Å; S407-L410 VanDerWaalsContact O-C 3.32Å; S407-L410 PolarHBondContact O-N 3.27Å; S407-L410 VanDerWaalsContact O-N 3.11Å
408	W	77.6	Confident	65.5	Low	31 Å²	31	63.4 Å²	63.4	12%	0.117	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.2	179.2	59.6	-100.3	0	0	0	114.3	A292 T293 M406 L410 P411 P609 D760	A292-W408 VanDerWaalsContact O-CH2 3.26Å; A292-W408 WeakPolarHBondContact O-CH2 3.38Å; T293-W408 VanDerWaalsContact O-CZ3 3.23Å; T293-W408 WeakPolarHBondContact O-CZ3 3.24Å; M406-W408 PolarHBondContact O-N 2.85Å; M406-W408 VanDerWaalsContact O-N 3.16Å; W408-L410 PolarHBondContact O-N 3.41Å; W408-P411 WeakPolarHBondContact O-CD 3.15Å; W408-P609 HydrophobicContact CH2-CB 4.48Å; W408-P609 HydrophobicContact CH2-CG 3.87Å; W408-P609 HydrophobicContact CZ2-CB 4.49Å; W408-P609 HydrophobicContact CZ2-CG 4.11Å; W408-D760 PolarHBondContact NE1-OD2 3.22Å
409	L	81	Confident	64.5	Low	1 Å²	1	64.2 Å²	64.2	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-62.9	-21.1	172.5	-74.6	171	0	0	0	112.2	M406 S407 V431 L435	M406-L409 HydrophobicContact CB-CD1 3.79Å; M406-L409 HydrophobicContact CB-CG 4.25Å; M406-L409 WeakPolarHBondContact O-CB 3.34Å; M406-L409 PolarHBondContact O-N 2.96Å; M406-L409 VanDerWaalsContact O-N 3.15Å; M406-L409 HydrophobicContact SD-CD1 4.22Å; S407-L409 PolarHBondContact O-N 3.13Å; L409-V431 HydrophobicContact CB-CG1 4.08Å; L409-V431 HydrophobicContact CD1-CG1 3.76Å; L409-L435 HydrophobicContact CD1-CD1 4.26Å; L409-L435 HydrophobicContact CD1-CD2 3.5Å; L409-L435 VanDerWaalsContact CD1-CD2 3.5Å; L409-L435 HydrophobicContact CD1-CG 3.75Å
410	L	80.1	Confident	63.8	Low	5 Å²	5	65.4 Å²	65.4	3%	0.026	35%	0.353	C	S	.	.	S	Bend	trans	-136.5	84.8	174.9	-86	147.2	0	0	0	109.3	Q299 A302 S407 W408 R427 V431 V434	Q299-L410 VanDerWaalsContact OE1-CD2 3.31Å; A302-L410 HydrophobicContact CB-CD2 3.57Å; S407-L410 CarbonylContact O-C 3.53Å; S407-L410 VanDerWaalsContact O-C 3.32Å; S407-L410 PolarHBondContact O-N 3.27Å; S407-L410 VanDerWaalsContact O-N 3.11Å; W408-L410 PolarHBondContact O-N 3.41Å; L410-R427 HydrophobicContact CB-CG 4.36Å; L410-V431 HydrophobicContact CB-CG2 4.13Å; L410-V431 HydrophobicContact CD1-CB 4.32Å; L410-V431 HydrophobicContact CD1-CG2 3.62Å; L410-V431 HydrophobicContact CG-CG2 4.43Å; L410-V434 HydrophobicContact CD1-CG2 4.36Å
411	P	66.4	Low	62.8	Low	49 Å²	49	71.2 Å²	71.2	32%	0.318	38%	0.377	S	S	.	.			trans	-56.5	141.4	-179.3	-26	36.7	0	0	0	112.2	L260 W408 L413	L260-P411 HydrophobicContact CD1-CB 3.78Å; L260-P411 HydrophobicContact CD1-CG 3.75Å; W408-P411 WeakPolarHBondContact O-CD 3.15Å; P411-L413 PolarHBondContact O-N 3.01Å
412	T	61	Low	61.5	Low	81 Å²	81	74 Å²	74	50%	0.497	39%	0.389	S	S	.	.			trans	-69.5	114.6	178.2	39.7	0	0	0	0	110.9	R427	T412-R427 VanDerWaalsContact CG2-NH1 3.32Å
413	L	54.9	Low	60.3	Low	47 Å²	47	76.2 Å²	76.2	25%	0.246	40%	0.403	C	S	.	.			trans	-83.8	120.3	167.3	-59.8	174.9	0	0	0	107.2	E263 M264 Q299 P411 S415	E263-L413 HydrophobicContact CB-CD2 4.43Å; E263-L413 VanDerWaalsContact O-CD2 3.24Å; E263-L413 WeakPolarHBondContact O-CD2 3.32Å; M264-L413 HydrophobicContact CG-CD2 4.16Å; Q299-L413 HydrophobicContact CG-CD1 4.42Å; P411-L413 PolarHBondContact O-N 3.01Å; L413-S415 PolarHBondContact O-N 3.33Å; L413-S415 PolarHBondContact O-OG 3.41Å
414	H	48	Very low	59.4	Low	142 Å²	142	78.3 Å²	78.3	66%	0.657	41%	0.413	S	S	*	.			trans	-26.7	111.2	-171.4	-62	-64.8	0	0	0	114.8
415	S	37	Very low	58.5	Low	91 Å²	91	81.3 Å²	81.3	64%	0.636	44%	0.436	S	S	*	.			trans	-134.1	147.6	168.5	-65.1	0	0	0	0	108.4	L413	L413-S415 PolarHBondContact O-N 3.33Å; L413-S415 PolarHBondContact O-OG 3.41Å
416	A	33.2	Very low	58.1	Low	64 Å²	64	79.4 Å²	79.4	53%	0.529	43%	0.431	S	S	.	.			trans	-66.7	145.9	-178.3	0	0	0	0	0	111.7	E418 L419	A416-E418 VanDerWaalsContact C-N 3.25Å; A416-E418 PolarHBondContact O-N 2.92Å; A416-E418 VanDerWaalsContact O-N 3.13Å; A416-L419 PolarHBondContact O-N 3.47Å
417	P	39	Very low	58	Low	96 Å²	96	80.6 Å²	80.6	62%	0.623	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-62.2	-23.2	-169.8	19.7	-30.8	0	0	0	115.5	L419 E420	P417-L419 PolarHBondContact O-N 3.26Å; P417-E420 VanDerWaalsContact CA-CD 3.48Å; P417-E420 WeakPolarHBondContact O-CB 3.16Å; P417-E420 WeakPolarHBondContact O-CG 3.14Å; P417-E420 PolarHBondContact O-N 3.04Å
418	E	31.4	Very low	58.4	Low	196 Å²	196	78.8 Å²	78.8	92%	0.916	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-80.2	-13	-174.9	-63.6	177	176.9	0	0	114.2	A416	A416-E418 VanDerWaalsContact C-N 3.25Å; A416-E418 PolarHBondContact O-N 2.92Å; A416-E418 VanDerWaalsContact O-N 3.13Å
419	L	39.3	Very low	58.9	Low	137 Å²	137	78.8 Å²	78.8	72%	0.717	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-96.5	2.1	175	-101.3	139.1	0	0	0	112.9	A416 P417 S423	A416-L419 PolarHBondContact O-N 3.47Å; P417-L419 PolarHBondContact O-N 3.26Å; L419-S423 WeakPolarHBondContact O-CB 3.24Å
420	E	46.6	Very low	59.3	Low	76 Å²	76	79 Å²	79	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-72.7	-39.3	-164.5	-75.7	-175.6	161.4	0	0	114.2	P417 K422 S423 H424	P417-E420 VanDerWaalsContact CA-CD 3.48Å; P417-E420 WeakPolarHBondContact O-CB 3.16Å; P417-E420 WeakPolarHBondContact O-CG 3.14Å; P417-E420 PolarHBondContact O-N 3.04Å; E420-K422 PolarHBondContact O-N 3.34Å; E420-S423 WeakPolarHBondContact CA-OG 3.44Å; E420-S423 CarbonylContact O-C 3.52Å; E420-S423 WeakPolarHBondContact O-CA 3.37Å; E420-S423 WeakPolarHBondContact O-CB 3.23Å; E420-S423 PolarHBondContact O-N 3.3Å; E420-S423 PolarHBondContact O-OG 3.44Å; E420-H424 PolarHBondContact O-CD2 3.48Å; E420-H424 VanDerWaalsContact O-CG 3.29Å; E420-H424 PolarHBondContact O-N 3.28Å
421	E	44.9	Very low	59.8	Low	177 Å²	177	78.8 Å²	78.8	83%	0.827	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-43.7	-173.8	-74.1	-174.7	162.5	0	0	114	S423 H424	E421-S423 VanDerWaalsContact C-N 3.27Å; E421-S423 PolarHBondContact O-N 3.42Å; E421-H424 PolarHBondContact O-N 3.02Å
422	K	48.5	Very low	60.9	Low	187 Å²	187	76.4 Å²	76.4	81%	0.813	41%	0.409	S	S	*	.	H	α-helix	trans	-73.6	-22.6	175.8	-143.1	170.2	-169.6	171.5	0	112	E420 S425	E420-K422 PolarHBondContact O-N 3.34Å; K422-S425 PolarHBondContact O-OG 2.96Å
423	S	57.6	Low	62.4	Low	52 Å²	52	72.9 Å²	72.9	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-78.5	-29.1	175.6	87.1	0	0	0	0	112.7	L419 E420 E421 D426 R427	L419-S423 WeakPolarHBondContact O-CB 3.24Å; E420-S423 WeakPolarHBondContact CA-OG 3.44Å; E420-S423 CarbonylContact O-C 3.52Å; E420-S423 WeakPolarHBondContact O-CA 3.37Å; E420-S423 WeakPolarHBondContact O-CB 3.23Å; E420-S423 PolarHBondContact O-N 3.3Å; E420-S423 PolarHBondContact O-OG 3.44Å; E421-S423 VanDerWaalsContact C-N 3.27Å; E421-S423 PolarHBondContact O-N 3.42Å; S423-D426 PolarHBondContact O-N 3.06Å; S423-R427 WeakPolarHBondContact O-CB 3.46Å; S423-R427 PolarHBondContact O-N 3.49Å
424	H	64.6	Low	64.2	Low	56 Å²	56	70.6 Å²	70.6	26%	0.259	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-47.7	-176.6	-78.3	-56.4	0	0	0	112.7	E420 E421 D426 R427 D428	E420-H424 PolarHBondContact O-CD2 3.48Å; E420-H424 VanDerWaalsContact O-CG 3.29Å; E420-H424 PolarHBondContact O-N 3.28Å; E421-H424 PolarHBondContact O-N 3.02Å; H424-D426 VanDerWaalsContact C-N 3.26Å; H424-D426 PolarHBondContact O-N 3.38Å; H424-R427 PolarHBondContact ND1-NH1 3.15Å; H424-R427 PolarHBondContact ND1-NH2 3.31Å; H424-R427 PolarHBondContact O-N 2.84Å; H424-D428 VanDerWaalsContact O-CB 3.25Å; H424-D428 WeakPolarHBondContact O-CB 3.21Å; H424-D428 PolarHBondContact O-N 3.31Å
425	S	71	Confident	66.3	Low	75 Å²	75	64.2 Å²	64.2	52%	0.524	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-39	177.8	62	0	0	0	0	112.1	R377 K422 L429	R377-S425 PolarHBondContact NH1-O 3.28Å; K422-S425 PolarHBondContact O-OG 2.96Å; S425-L429 PolarHBondContact O-N 2.87Å
426	D	77.8	Confident	68.9	Low	38 Å²	38	60 Å²	60	20%	0.203	32%	0.316	C	S	.	.	H	α-helix	trans	-69.3	-48.4	176.6	-156.5	52.3	0	0	0	110.8	R305 K309 S423 H424 D428 L429 S430	R305-D426 IonicContact CZ-OD1 2.77Å; R305-D426 IonicContact CZ-OD2 3.76Å; R305-D426 IonicContact NE-OD1 3.92Å; R305-D426 PolarHBondContact NH1-O 3.44Å; R305-D426 PolarHBondContact NH2-O 2.54Å; R305-D426 IonicContact NH2-OD1 3.02Å; R305-D426 PolarHBondContact NH2-OD1 2.99Å; R305-D426 IonicContact NH2-OD2 3.68Å; R305-D426 PolarHBondContact NH2-OD2 3.31Å; K309-D426 IonicContact NZ-OD1 3.26Å; K309-D426 PolarHBondContact NZ-OD1 3.4Å; K309-D426 IonicContact NZ-OD2 2.64Å; K309-D426 PolarHBondContact NZ-OD2 3.05Å; K309-D426 VanDerWaalsContact NZ-OD2 3.07Å; S423-D426 PolarHBondContact O-N 3.06Å; H424-D426 VanDerWaalsContact C-N 3.26Å; H424-D426 PolarHBondContact O-N 3.38Å; D426-D428 VanDerWaalsContact C-N 3.34Å; D426-D428 PolarHBondContact O-N 3.24Å; D426-L429 WeakPolarHBondContact O-CB 3.26Å; D426-L429 PolarHBondContact O-N 3.36Å; D426-L429 VanDerWaalsContact O-N 3.14Å; D426-S430 PolarHBondContact O-N 2.86Å
427	R	81.8	Confident	71.8	Confident	44 Å²	44	57 Å²	57	17%	0.166	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-46.8	178.6	-176.3	-169.5	65.4	-153.8	-0.9	111.4	L410 T412 S423 H424 L429 S430 V431	L410-R427 HydrophobicContact CB-CG 4.36Å; T412-R427 VanDerWaalsContact CG2-NH1 3.32Å; S423-R427 WeakPolarHBondContact O-CB 3.46Å; S423-R427 PolarHBondContact O-N 3.49Å; H424-R427 PolarHBondContact ND1-NH1 3.15Å; H424-R427 PolarHBondContact ND1-NH2 3.31Å; H424-R427 PolarHBondContact O-N 2.84Å; R427-L429 PolarHBondContact O-N 3.35Å; R427-S430 WeakPolarHBondContact O-CA 3.45Å; R427-S430 VanDerWaalsContact O-CB 3.28Å; R427-S430 WeakPolarHBondContact O-CB 3.46Å; R427-S430 PolarHBondContact O-N 3.36Å; R427-V431 PolarHBondContact O-N 3.06Å
428	D	85.6	Confident	74.4	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-33.8	-178.6	-69.9	-2.1	0	0	0	109.1	R377 H424 D426 S430 V431 A432	R377-D428 PolarHBondContact NH2-O 2.92Å; H424-D428 VanDerWaalsContact O-CB 3.25Å; H424-D428 WeakPolarHBondContact O-CB 3.21Å; H424-D428 PolarHBondContact O-N 3.31Å; D426-D428 VanDerWaalsContact C-N 3.34Å; D426-D428 PolarHBondContact O-N 3.24Å; D428-S430 VanDerWaalsContact C-N 3.28Å; D428-S430 PolarHBondContact O-N 3.02Å; D428-V431 WeakPolarHBondContact O-CA 3.48Å; D428-V431 WeakPolarHBondContact O-CB 3.24Å; D428-V431 PolarHBondContact O-N 2.81Å; D428-V431 VanDerWaalsContact O-N 3.09Å; D428-A432 PolarHBondContact O-N 3.33Å
429	L	87.4	Confident	77.3	Confident	31 Å²	31	45.8 Å²	45.8	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-35.1	173.5	-178.7	64.9	0	0	0	112	C376 R377 S425 D426 R427 V431 A432 I433	C376-L429 HydrophobicContact CB-CD1 4.22Å; R377-L429 VanDerWaalsContact CZ-CA 3.43Å; S425-L429 PolarHBondContact O-N 2.87Å; D426-L429 WeakPolarHBondContact O-CB 3.26Å; D426-L429 PolarHBondContact O-N 3.36Å; D426-L429 VanDerWaalsContact O-N 3.14Å; R427-L429 PolarHBondContact O-N 3.35Å; L429-V431 VanDerWaalsContact C-N 3.33Å; L429-A432 PolarHBondContact O-N 3.41Å; L429-I433 HydrophobicContact CD1-CD1 4.48Å; L429-I433 HydrophobicContact CG-CD1 4.07Å; L429-I433 WeakPolarHBondContact O-CD1 3.14Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.03Å
430	S	89.1	Confident	79.8	Confident	5 Å²	5	40.5 Å²	40.5	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-42.1	173.8	-80.4	0	0	0	0	109.6	A302 R305 D426 R427 D428 A432 I433 V434	A302-S430 WeakPolarHBondContact CB-OG 3.21Å; R305-S430 VanDerWaalsContact NH1-CA 3.34Å; R305-S430 PolarHBondContact NH1-OG 3Å; R305-S430 PolarHBondContact NH2-OG 2.55Å; D426-S430 PolarHBondContact O-N 2.86Å; R427-S430 WeakPolarHBondContact O-CA 3.45Å; R427-S430 VanDerWaalsContact O-CB 3.28Å; R427-S430 WeakPolarHBondContact O-CB 3.46Å; R427-S430 PolarHBondContact O-N 3.36Å; D428-S430 VanDerWaalsContact C-N 3.28Å; D428-S430 PolarHBondContact O-N 3.02Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 2.93Å; S430-I433 PolarHBondContact O-N 2.9Å; S430-V434 VanDerWaalsContact O-CG2 3.24Å; S430-V434 WeakPolarHBondContact O-CG2 3.34Å; S430-V434 PolarHBondContact O-N 2.94Å
431	V	89.9	Confident	82	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-44.1	176.2	-177.2	0	0	0	0	110.7	W381 M406 L409 L410 R427 D428 L429 I433 V434 L435	W381-V431 HydrophobicContact CH2-CB 4.22Å; W381-V431 HydrophobicContact CH2-CG1 3.9Å; W381-V431 HydrophobicContact CZ3-CB 3.93Å; W381-V431 HydrophobicContact CZ3-CG1 3.58Å; M406-V431 HydrophobicContact CB-CG1 4.34Å; L409-V431 HydrophobicContact CB-CG1 4.08Å; L409-V431 HydrophobicContact CD1-CG1 3.76Å; L410-V431 HydrophobicContact CB-CG2 4.13Å; L410-V431 HydrophobicContact CD1-CB 4.32Å; L410-V431 HydrophobicContact CD1-CG2 3.62Å; L410-V431 HydrophobicContact CG-CG2 4.43Å; R427-V431 PolarHBondContact O-N 3.06Å; D428-V431 WeakPolarHBondContact O-CA 3.48Å; D428-V431 WeakPolarHBondContact O-CB 3.24Å; D428-V431 PolarHBondContact O-N 2.81Å; D428-V431 VanDerWaalsContact O-N 3.09Å; L429-V431 VanDerWaalsContact C-N 3.33Å; V431-I433 PolarHBondContact O-N 3.43Å; V431-V434 PolarHBondContact O-N 2.66Å; V431-L435 HydrophobicContact CG1-CD1 4.15Å; V431-L435 HydrophobicContact CG1-CG 4.38Å; V431-L435 WeakPolarHBondContact O-CB 3.43Å; V431-L435 WeakPolarHBondContact O-CG 3.23Å; V431-L435 PolarHBondContact O-N 3.1Å
432	A	90.9	Very high	84.2	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-44.2	175.9	0	0	0	0	0	111.8	C376 R377 W381 D428 L429 S430 V434 L435 H436 P614	C376-A432 HydrophobicContact CB-CB 4.45Å; R377-A432 HydrophobicContact CG-CB 3.72Å; W381-A432 HydrophobicContact CH2-CB 4Å; W381-A432 HydrophobicContact CZ2-CB 3.87Å; D428-A432 PolarHBondContact O-N 3.33Å; L429-A432 PolarHBondContact O-N 3.41Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 2.93Å; A432-V434 PolarHBondContact O-N 3.34Å; A432-L435 PolarHBondContact O-N 2.99Å; A432-H436 WeakPolarHBondContact O-CB 3.4Å; A432-H436 PolarHBondContact O-N 3.38Å; A432-P614 HydrophobicContact CB-CB 4.26Å; A432-P614 VanDerWaalsContact O-CG 3.24Å; A432-P614 WeakPolarHBondContact O-CG 3.3Å
433	I	91.8	Very high	86.2	Confident	6 Å²	6	21.3 Å²	21.3	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-44.8	176.3	-67.4	162	0	0	0	111.1	L367 M370 L429 S430 V431 H436 L437	L367-I433 HydrophobicContact CD1-CD1 4.04Å; L367-I433 HydrophobicContact CD1-CG2 4.17Å; M370-I433 HydrophobicContact CE-CB 3.74Å; M370-I433 HydrophobicContact CE-CG1 3.53Å; M370-I433 HydrophobicContact CE-CG2 3.65Å; L429-I433 HydrophobicContact CD1-CD1 4.48Å; L429-I433 HydrophobicContact CG-CD1 4.07Å; L429-I433 WeakPolarHBondContact O-CD1 3.14Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.03Å; S430-I433 PolarHBondContact O-N 2.9Å; V431-I433 PolarHBondContact O-N 3.43Å; I433-H436 PolarHBondContact O-N 3.39Å; I433-L437 HydrophobicContact CG2-CD1 3.88Å; I433-L437 WeakPolarHBondContact O-CG 3.14Å; I433-L437 PolarHBondContact O-N 3.49Å
434	V	92.3	Very high	87.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.3	-48.2	177.8	171.9	0	0	0	0	110.9	V290 L301 L410 S430 V431 A432 H436 L437 I438	V290-V434 HydrophobicContact CG1-CG1 3.85Å; L301-V434 HydrophobicContact CB-CG2 4.36Å; L301-V434 HydrophobicContact CD1-CG2 3.94Å; L410-V434 HydrophobicContact CD1-CG2 4.36Å; S430-V434 VanDerWaalsContact O-CG2 3.24Å; S430-V434 WeakPolarHBondContact O-CG2 3.34Å; S430-V434 PolarHBondContact O-N 2.94Å; V431-V434 PolarHBondContact O-N 2.66Å; A432-V434 PolarHBondContact O-N 3.34Å; V434-H436 VanDerWaalsContact C-N 3.32Å; V434-H436 PolarHBondContact O-N 3.27Å; V434-L437 PolarHBondContact O-N 3.09Å; V434-I438 HydrophobicContact CG1-CD1 3.9Å; V434-I438 HydrophobicContact CG1-CG1 4.49Å; V434-I438 VanDerWaalsContact O-CG1 3.32Å; V434-I438 WeakPolarHBondContact O-CG1 3.31Å; V434-I438 PolarHBondContact O-N 3.42Å
435	L	92.4	Very high	88.9	Confident	7 Å²	7	17.2 Å²	17.2	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-40.8	176.3	-75.6	176.7	0	0	0	112.2	W381 M406 L409 V431 A432 L437 I438 F439 P609 P614	W381-L435 HydrophobicContact CH2-CD1 3.76Å; W381-L435 HydrophobicContact CZ3-CD1 4.44Å; M406-L435 HydrophobicContact SD-CD1 3.91Å; M406-L435 HydrophobicContact SD-CD2 3.97Å; L409-L435 HydrophobicContact CD1-CD1 4.26Å; L409-L435 HydrophobicContact CD1-CD2 3.5Å; L409-L435 VanDerWaalsContact CD1-CD2 3.5Å; L409-L435 HydrophobicContact CD1-CG 3.75Å; V431-L435 HydrophobicContact CG1-CD1 4.15Å; V431-L435 HydrophobicContact CG1-CG 4.38Å; V431-L435 WeakPolarHBondContact O-CB 3.43Å; V431-L435 WeakPolarHBondContact O-CG 3.23Å; V431-L435 PolarHBondContact O-N 3.1Å; A432-L435 PolarHBondContact O-N 2.99Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.86Å; L435-I438 PolarHBondContact O-N 3.48Å; L435-F439 WeakPolarHBondContact O-CB 3.44Å; L435-F439 PolarHBondContact O-N 2.89Å; L435-P609 HydrophobicContact CD2-CB 3.93Å; L435-P614 HydrophobicContact CB-CB 4.41Å; L435-P614 HydrophobicContact CB-CG 4.16Å
436	H	92.9	Very high	89.8	Confident	4 Å²	4	13.8 Å²	13.8	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-40.9	177.1	-169.3	-74.1	0	0	0	111.3	C53 M370 A432 I433 V434 F439 S440 P614	C53-H436 VanDerWaalsContact CB-CE1 3.49Å; C53-H436 WeakPolarHBondContact CB-CE1 3.02Å; C53-H436 VanDerWaalsContact CB-NE2 3.28Å; C53-H436 WeakPolarHBondContact CB-NE2 3.21Å; M370-H436 HydrophobicContact CE-CB 4.07Å; A432-H436 WeakPolarHBondContact O-CB 3.4Å; A432-H436 PolarHBondContact O-N 3.38Å; I433-H436 PolarHBondContact O-N 3.39Å; V434-H436 VanDerWaalsContact C-N 3.32Å; V434-H436 PolarHBondContact O-N 3.27Å; H436-F439 PolarHBondContact O-N 3.39Å; H436-S440 PolarHBondContact CE1-OG 3.45Å; H436-S440 PolarHBondContact ND1-OG 2.85Å; H436-S440 VanDerWaalsContact O-CB 3.28Å; H436-S440 WeakPolarHBondContact O-CB 3.17Å; H436-S440 PolarHBondContact O-N 2.85Å; H436-S440 PolarHBondContact O-OG 3.28Å; H436-P614 HydrophobicContact CB-CG 3.61Å
437	L	93.3	Very high	90.5	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-68.2	-40.1	176.4	-73.7	165.3	0	0	0	112	V203 L301 L318 P320 F365 I433 V434 L435 S440 A441	V203-L437 HydrophobicContact CB-CD2 4.33Å; V203-L437 HydrophobicContact CG1-CB 4.13Å; V203-L437 HydrophobicContact CG1-CD1 4.26Å; V203-L437 HydrophobicContact CG2-CD1 4.21Å; V203-L437 HydrophobicContact CG2-CD2 4.39Å; L301-L437 HydrophobicContact CD1-CD1 3.62Å; L301-L437 HydrophobicContact CD2-CD1 4.21Å; L318-L437 HydrophobicContact CB-CD2 4.45Å; L318-L437 HydrophobicContact CD1-CD1 4.19Å; L318-L437 HydrophobicContact CD1-CD2 4.33Å; P320-L437 HydrophobicContact CG-CD2 4Å; F365-L437 HydrophobicContact CE1-CD2 4.46Å; F365-L437 HydrophobicContact CZ-CD2 3.79Å; I433-L437 HydrophobicContact CG2-CD1 3.88Å; I433-L437 WeakPolarHBondContact O-CG 3.14Å; I433-L437 PolarHBondContact O-N 3.49Å; V434-L437 PolarHBondContact O-N 3.09Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.86Å; L437-S440 PolarHBondContact O-N 2.72Å; L437-A441 VanDerWaalsContact O-CB 3.25Å; L437-A441 WeakPolarHBondContact O-CB 3.4Å; L437-A441 PolarHBondContact O-N 3.35Å
438	I	92.8	Very high	91.1	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.031	6%	0.058	C	C	.	.	H	α-helix	trans	-59	-50.3	173.4	-70	165.9	0	0	0	109.7	L205 V290 A292 V434 L435 S440 A441 A442	L205-I438 HydrophobicContact CD2-CB 4.04Å; L205-I438 HydrophobicContact CD2-CG1 3.91Å; L205-I438 HydrophobicContact CD2-CG2 3.78Å; V290-I438 HydrophobicContact CB-CG1 4.47Å; V290-I438 HydrophobicContact CG1-CD1 3.75Å; V290-I438 HydrophobicContact CG1-CG1 3.7Å; A292-I438 HydrophobicContact CB-CD1 4.18Å; A292-I438 HydrophobicContact CB-CG2 4.09Å; V434-I438 HydrophobicContact CG1-CD1 3.9Å; V434-I438 HydrophobicContact CG1-CG1 4.49Å; V434-I438 VanDerWaalsContact O-CG1 3.32Å; V434-I438 WeakPolarHBondContact O-CG1 3.31Å; V434-I438 PolarHBondContact O-N 3.42Å; L435-I438 PolarHBondContact O-N 3.48Å; I438-S440 PolarHBondContact O-N 3.4Å; I438-A441 PolarHBondContact O-N 2.98Å; I438-A442 WeakPolarHBondContact O-CB 3.49Å; I438-A442 PolarHBondContact O-N 3.35Å
439	F	92.6	Very high	91.4	Very high	50 Å²	50	9.7 Å²	9.7	22%	0.219	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-43	178	178.2	-97.5	0	0	0	112.3	L435 H436 A442 S443 G610 I611 P613	L435-F439 WeakPolarHBondContact O-CB 3.44Å; L435-F439 PolarHBondContact O-N 2.89Å; H436-F439 PolarHBondContact O-N 3.39Å; F439-A442 PolarHBondContact O-N 3.28Å; F439-S443 WeakPolarHBondContact O-CB 3.2Å; F439-S443 PolarHBondContact O-N 2.96Å; F439-S443 PolarHBondContact O-OG 2.93Å; F439-S443 VanDerWaalsContact O-OG 3.1Å; F439-G610 WeakPolarHBondContact CA-O 3.49Å; F439-I611 VanDerWaalsContact CD2-O 3.28Å; F439-I611 WeakPolarHBondContact CD2-O 3.24Å; F439-I611 VanDerWaalsContact CE2-O 3.26Å; F439-I611 WeakPolarHBondContact CE2-O 3.31Å; F439-P613 HydrophobicContact CD1-CB 3.83Å; F439-P613 HydrophobicContact CD1-CG 4.46Å; F439-P613 HydrophobicContact CD2-CB 4.48Å; F439-P613 HydrophobicContact CE1-CB 3.89Å; F439-P613 HydrophobicContact CE1-CG 4.09Å; F439-P613 HydrophobicContact CE2-CG 4.33Å; F439-P613 HydrophobicContact CG-CB 4.13Å; F439-P613 HydrophobicContact CZ-CB 4.26Å; F439-P613 HydrophobicContact CZ-CG 4.01Å
440	S	92.9	Very high	91.7	Very high	25 Å²	25	8.2 Å²	8.2	18%	0.175	5%	0.049	C	C	.	.	H	α-helix	trans	-66.4	-42.7	179.9	-60.2	0	0	0	0	111.9	H436 L437 I438 S443 C444	H436-S440 PolarHBondContact CE1-OG 3.45Å; H436-S440 PolarHBondContact ND1-OG 2.85Å; H436-S440 VanDerWaalsContact O-CB 3.28Å; H436-S440 WeakPolarHBondContact O-CB 3.17Å; H436-S440 PolarHBondContact O-N 2.85Å; H436-S440 PolarHBondContact O-OG 3.28Å; L437-S440 PolarHBondContact O-N 2.72Å; I438-S440 PolarHBondContact O-N 3.4Å; S440-S443 PolarHBondContact O-N 3.13Å; S440-C444 PolarHBondContact O-N 3.34Å; S440-C444 VanDerWaalsContact O-N 3.09Å; S440-C444 PolarHBondContact O-SG 3.12Å
441	A	92.9	Very high	92	Very high	2 Å²	2	8 Å²	8	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-68	-40.4	177.1	0	0	0	0	0	111.7	L205 P320 L437 I438 C444 T445	L205-A441 HydrophobicContact CD1-CB 4.3Å; L205-A441 HydrophobicContact CG-CB 3.92Å; P320-A441 HydrophobicContact CB-CB 4.48Å; L437-A441 VanDerWaalsContact O-CB 3.25Å; L437-A441 WeakPolarHBondContact O-CB 3.4Å; L437-A441 PolarHBondContact O-N 3.35Å; I438-A441 PolarHBondContact O-N 2.98Å; A441-C444 PolarHBondContact O-N 2.89Å; A441-C444 PolarHBondContact O-SG 2.92Å; A441-T445 VanDerWaalsContact O-CG2 3.22Å; A441-T445 WeakPolarHBondContact O-CG2 3.44Å; A441-T445 PolarHBondContact O-N 3.35Å
442	A	90.9	Very high	92.3	Very high	11 Å²	11	8 Å²	8	9%	0.091	5%	0.048	C	C	.	.	H	α-helix	trans	-62.4	-46.4	172.3	0	0	0	0	0	111.1	L205 I438 F439 C444 T445	L205-A442 HydrophobicContact CD1-CB 3.87Å; I438-A442 WeakPolarHBondContact O-CB 3.49Å; I438-A442 PolarHBondContact O-N 3.35Å; F439-A442 PolarHBondContact O-N 3.28Å; A442-C444 VanDerWaalsContact C-N 3.27Å; A442-C444 PolarHBondContact O-N 3.07Å; A442-T445 WeakPolarHBondContact O-CB 2.82Å; A442-T445 PolarHBondContact O-N 2.88Å; A442-T445 VanDerWaalsContact O-N 3.1Å; A442-T445 PolarHBondContact O-OG1 2.94Å
443	S	89	Confident	92.5	Very high	24 Å²	24	8.1 Å²	8.1	17%	0.168	5%	0.048	C	C	.	.	H	α-helix	trans	-64.8	-25.6	-178.4	-79.4	0	0	0	0	114.4	M49 F439 S440 R486	M49-S443 WeakPolarHBondContact CE-O 3.18Å; F439-S443 WeakPolarHBondContact O-CB 3.2Å; F439-S443 PolarHBondContact O-N 2.96Å; F439-S443 PolarHBondContact O-OG 2.93Å; F439-S443 VanDerWaalsContact O-OG 3.1Å; S440-S443 PolarHBondContact O-N 3.13Å; S443-R486 VanDerWaalsContact CB-NH1 3.32Å; S443-R486 PolarHBondContact O-NH1 3.18Å; S443-R486 PolarHBondContact OG-NH1 3.35Å
444	C	88.2	Confident	92.7	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.007	5%	0.046	C	C	.	.	H	α-helix	trans	-91.2	-5.3	175.9	72.5	0	0	0	0	113.9	G322 H360 S440 A441 A442	G322-C444 VanDerWaalsContact CA-SG 3.53Å; G322-C444 PolarHBondContact N-SG 3.48Å; H360-C444 WeakPolarHBondContact CB-O 3.28Å; S440-C444 PolarHBondContact O-N 3.34Å; S440-C444 VanDerWaalsContact O-N 3.09Å; S440-C444 PolarHBondContact O-SG 3.12Å; A441-C444 PolarHBondContact O-N 2.89Å; A441-C444 PolarHBondContact O-SG 2.92Å; A442-C444 VanDerWaalsContact C-N 3.27Å; A442-C444 PolarHBondContact O-N 3.07Å
445	T	90.6	Very high	92.8	Very high	22 Å²	22	7.8 Å²	7.8	14%	0.135	5%	0.046	C	C	.	.	P	Polyproline II helix	trans	-70.1	132.3	172.4	63.3	0	0	0	0	110.4	A441 A442	A441-T445 VanDerWaalsContact O-CG2 3.22Å; A441-T445 WeakPolarHBondContact O-CG2 3.44Å; A441-T445 PolarHBondContact O-N 3.35Å; A442-T445 WeakPolarHBondContact O-CB 2.82Å; A442-T445 PolarHBondContact O-N 2.88Å; A442-T445 VanDerWaalsContact O-N 3.1Å; A442-T445 PolarHBondContact O-OG1 2.94Å
446	A	90.9	Very high	93	Very high	2 Å²	2	7.5 Å²	7.5	2%	0.017	5%	0.045	C	C	.	.	P	Polyproline II helix	trans	-81.6	147	173.8	0	0	0	0	0	111.4	S324 M358 H360 D487	S324-A446 VanDerWaalsContact CB-O 3.24Å; S324-A446 WeakPolarHBondContact CB-O 3.4Å; S324-A446 PolarHBondContact OG-N 3.22Å; S324-A446 PolarHBondContact OG-O 3.48Å; M358-A446 HydrophobicContact SD-CB 4.01Å; H360-A446 WeakPolarHBondContact CE1-CB 3.44Å; A446-D487 WeakPolarHBondContact CA-O 3.2Å; A446-D487 HydrophobicContact CB-CB 4.48Å
447	V	93	Very high	93.1	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.018	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-82.1	123.6	177.2	-178.4	0	0	0	0	109.8	L452 L481 D487 V488 G489 V541	V447-L452 HydrophobicContact CG1-CD2 3.5Å; V447-L452 VanDerWaalsContact CG1-CD2 3.5Å; V447-L452 HydrophobicContact CG1-CG 4.22Å; V447-L481 HydrophobicContact CB-CD1 4.17Å; V447-L481 HydrophobicContact CG1-CD1 3.94Å; V447-L481 HydrophobicContact CG2-CD1 4.31Å; V447-L481 HydrophobicContact CG2-CD2 4.34Å; V447-D487 PolarHBondContact N-O 2.98Å; V447-V488 HydrophobicContact CB-CG1 4.5Å; V447-V488 CarbonylContact O-C 3.57Å; V447-V488 VanDerWaalsContact O-CA 3.26Å; V447-V488 WeakPolarHBondContact O-CA 3.38Å; V447-G489 PolarHBondContact O-N 3.28Å; V447-V541 HydrophobicContact CG1-CG2 3.75Å
448	M	92.8	Very high	93	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	5%	0.05	C	C	.	.	P	Polyproline II helix	trans	-83.5	163.5	-179.6	-58.5	-55.8	-69.6	0	0	111.6	S324 Y325 D326 S356 M358 T450 S451 L452	S324-M448 VanDerWaalsContact CB-SD 3.52Å; Y325-M448 WeakPolarHBondContact O-CG 3.46Å; D326-M448 HydrophobicContact CB-CE 4.22Å; D326-M448 WeakPolarHBondContact OD1-CB 3.5Å; D326-M448 WeakPolarHBondContact OD1-CE 3.35Å; S356-M448 WeakPolarHBondContact OG-CE 3.38Å; M358-M448 HydrophobicContact CB-SD 4.48Å; M448-T450 VanDerWaalsContact C-N 3.27Å; M448-T450 PolarHBondContact O-N 2.8Å; M448-S451 WeakPolarHBondContact O-CB 3.26Å; M448-S451 PolarHBondContact O-N 2.89Å; M448-L452 PolarHBondContact O-N 3.3Å
449	S	93.1	Very high	93	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.051	C	C	.	.	H	α-helix	trans	-69.4	-30.2	-177	63.2	0	0	0	0	112.1	L452 V453 S501	S449-L452 PolarHBondContact O-N 3.33Å; S449-V453 WeakPolarHBondContact O-CG2 3.43Å; S449-V453 PolarHBondContact O-N 2.95Å; S449-S501 WeakPolarHBondContact CB-OG 3.26Å; S449-S501 PolarHBondContact O-OG 3.34Å; S449-S501 PolarHBondContact OG-OG 3.23Å
450	T	94.3	Very high	93	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-69.5	-33.9	173.6	54	0	0	0	0	111.9	D326 M448 S454 S501 L504 L505	D326-T450 WeakPolarHBondContact CA-OG1 3.36Å; D326-T450 HydrophobicContact CB-CG2 4.38Å; D326-T450 VanDerWaalsContact O-CB 3.23Å; D326-T450 WeakPolarHBondContact O-CB 3.44Å; D326-T450 VanDerWaalsContact O-CG2 3.24Å; D326-T450 WeakPolarHBondContact O-CG2 3.24Å; D326-T450 PolarHBondContact O-OG1 3.34Å; M448-T450 VanDerWaalsContact C-N 3.27Å; M448-T450 PolarHBondContact O-N 2.8Å; T450-S454 VanDerWaalsContact O-CB 3.25Å; T450-S454 WeakPolarHBondContact O-CB 3.33Å; T450-S454 PolarHBondContact O-N 2.82Å; T450-S454 PolarHBondContact O-OG 3.29Å; T450-S501 PolarHBondContact N-OG 2.85Å; T450-L504 HydrophobicContact CG2-CB 4.13Å; T450-L504 HydrophobicContact CG2-CD1 3.96Å; T450-L505 HydrophobicContact CG2-CD1 4.48Å; T450-L505 HydrophobicContact CG2-CD2 4.44Å; T450-L505 HydrophobicContact CG2-CG 4.17Å
451	S	95	Very high	92.9	Very high	2 Å²	2	9 Å²	9	1%	0.014	5%	0.049	C	C	.	.	H	α-helix	trans	-60	-46.4	171.7	-61.9	0	0	0	0	111.5	M448 S454 S455 L537	M448-S451 WeakPolarHBondContact O-CB 3.26Å; M448-S451 PolarHBondContact O-N 2.89Å; S451-S454 PolarHBondContact O-N 2.96Å; S451-S455 WeakPolarHBondContact O-CB 3.32Å; S451-S455 PolarHBondContact O-N 2.71Å; S451-S455 PolarHBondContact O-OG 3.44Å; S451-L537 WeakPolarHBondContact CB-O 3.38Å; S451-L537 PolarHBondContact OG-O 2.9Å
452	L	95.2	Very high	92.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-51.1	178.1	-57.7	-170.1	0	0	0	112.5	V447 M448 S449 S454 S455 L456 V474 L477 L478 L481 F490 V541	V447-L452 HydrophobicContact CG1-CD2 3.5Å; V447-L452 VanDerWaalsContact CG1-CD2 3.5Å; V447-L452 HydrophobicContact CG1-CG 4.22Å; M448-L452 PolarHBondContact O-N 3.3Å; S449-L452 PolarHBondContact O-N 3.33Å; L452-S454 VanDerWaalsContact C-N 3.3Å; L452-S454 PolarHBondContact O-N 3.01Å; L452-S455 PolarHBondContact O-N 2.92Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.21Å; L452-V474 HydrophobicContact CD1-CG1 4.24Å; L452-L477 HydrophobicContact CB-CD2 4.24Å; L452-L477 HydrophobicContact CD2-CD2 3.93Å; L452-L477 HydrophobicContact CD2-CG 4.14Å; L452-L478 HydrophobicContact CD1-CB 4.38Å; L452-L481 HydrophobicContact CD2-CD1 3.19Å; L452-L481 HydrophobicContact CG-CD1 4.47Å; L452-F490 HydrophobicContact CD1-CE1 3.92Å; L452-F490 HydrophobicContact CD1-CZ 3.5Å; L452-F490 VanDerWaalsContact CD1-CZ 3.5Å; L452-F490 HydrophobicContact CG-CE1 4.39Å; L452-F490 HydrophobicContact CG-CZ 4.42Å; L452-V541 HydrophobicContact CD2-CG2 4.1Å
453	V	95.7	Very high	92.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-41.7	-180	173.2	0	0	0	0	110.2	S449 L456 L457 L470 V474 L502 L505	S449-V453 WeakPolarHBondContact O-CG2 3.43Å; S449-V453 PolarHBondContact O-N 2.95Å; V453-L456 PolarHBondContact O-N 3.38Å; V453-L457 HydrophobicContact CG1-CD1 3.71Å; V453-L457 HydrophobicContact CG1-CG 4.18Å; V453-L457 VanDerWaalsContact O-CB 3.31Å; V453-L457 WeakPolarHBondContact O-CB 3.41Å; V453-L457 WeakPolarHBondContact O-CG 3.28Å; V453-L457 PolarHBondContact O-N 3.15Å; V453-L470 HydrophobicContact CG1-CD2 4.28Å; V453-V474 HydrophobicContact CG2-CG2 4.08Å; V453-L502 HydrophobicContact CG1-CD2 4.24Å; V453-L505 HydrophobicContact CB-CD1 4.11Å; V453-L505 HydrophobicContact CG1-CD1 3.82Å
454	S	95.4	Very high	92.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-44.4	178.1	-55	0	0	0	0	112.1	T450 S451 L452 L456 L457 L458 L534	T450-S454 VanDerWaalsContact O-CB 3.25Å; T450-S454 WeakPolarHBondContact O-CB 3.33Å; T450-S454 PolarHBondContact O-N 2.82Å; T450-S454 PolarHBondContact O-OG 3.29Å; S451-S454 PolarHBondContact O-N 2.96Å; L452-S454 VanDerWaalsContact C-N 3.3Å; L452-S454 PolarHBondContact O-N 3.01Å; S454-L456 PolarHBondContact O-N 3.25Å; S454-L457 PolarHBondContact O-N 3.11Å; S454-L458 WeakPolarHBondContact O-CB 3.21Å; S454-L458 WeakPolarHBondContact O-CG 3.15Å; S454-L458 PolarHBondContact O-N 3.21Å; S454-L534 WeakPolarHBondContact CB-O 3.4Å; S454-L534 VanDerWaalsContact OG-CD2 3.28Å; S454-L534 WeakPolarHBondContact OG-CD2 3.15Å
455	S	95.7	Very high	92.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-44.3	176	-62.3	0	0	0	0	112.2	S451 L452 L458 Y459 A538 V541	S451-S455 WeakPolarHBondContact O-CB 3.32Å; S451-S455 PolarHBondContact O-N 2.71Å; S451-S455 PolarHBondContact O-OG 3.44Å; L452-S455 PolarHBondContact O-N 2.92Å; S455-L458 PolarHBondContact O-N 3.35Å; S455-Y459 VanDerWaalsContact O-CB 3.29Å; S455-Y459 WeakPolarHBondContact O-CB 3.05Å; S455-Y459 WeakPolarHBondContact O-CD2 3.26Å; S455-Y459 PolarHBondContact O-N 3.29Å; S455-A538 VanDerWaalsContact OG-CA 3.25Å; S455-A538 WeakPolarHBondContact OG-CA 3.4Å; S455-A538 WeakPolarHBondContact OG-CB 3.5Å; S455-A538 PolarHBondContact OG-O 3.46Å; S455-V541 VanDerWaalsContact OG-CB 3.28Å; S455-V541 WeakPolarHBondContact OG-CB 3.46Å; S455-V541 WeakPolarHBondContact OG-CG2 3.34Å
456	L	95.9	Very high	92.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-65.3	-43.3	177.6	-71.9	171.6	0	0	0	111.8	L452 V453 S454 L458 K460 H461 L470 D473 V474 W476 L477 F693	L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.21Å; V453-L456 PolarHBondContact O-N 3.38Å; S454-L456 PolarHBondContact O-N 3.25Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-L458 PolarHBondContact O-N 3.15Å; L456-K460 HydrophobicContact CD2-CB 4.43Å; L456-K460 HydrophobicContact CD2-CD 4.28Å; L456-K460 CarbonylContact O-C 3.54Å; L456-K460 WeakPolarHBondContact O-CA 3.38Å; L456-K460 WeakPolarHBondContact O-CB 3.48Å; L456-K460 PolarHBondContact O-N 3.47Å; L456-H461 PolarHBondContact O-N 2.97Å; L456-L470 HydrophobicContact CB-CD1 4.24Å; L456-L470 HydrophobicContact CD1-CD1 4.06Å; L456-D473 HydrophobicContact CD1-CB 3.97Å; L456-D473 HydrophobicContact CD2-CB 4.01Å; L456-V474 HydrophobicContact CD1-CB 4.22Å; L456-V474 HydrophobicContact CD1-CG2 3.47Å; L456-V474 VanDerWaalsContact CD1-CG2 3.47Å; L456-W476 HydrophobicContact CD2-CZ3 4.34Å; L456-L477 HydrophobicContact CD1-CD2 4.35Å; L456-L477 HydrophobicContact CD2-CB 4.48Å; L456-L477 HydrophobicContact CD2-CD2 4.12Å; L456-L477 HydrophobicContact CG-CD2 3.89Å; L456-F693 HydrophobicContact CD2-CE2 4.32Å
457	L	94.5	Very high	92.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-66.6	-34.4	179.4	-73	177.8	0	0	0	112.9	V453 S454 H461 S462 V465 L509 I522 P524	V453-L457 HydrophobicContact CG1-CD1 3.71Å; V453-L457 HydrophobicContact CG1-CG 4.18Å; V453-L457 VanDerWaalsContact O-CB 3.31Å; V453-L457 WeakPolarHBondContact O-CB 3.41Å; V453-L457 WeakPolarHBondContact O-CG 3.28Å; V453-L457 PolarHBondContact O-N 3.15Å; S454-L457 PolarHBondContact O-N 3.11Å; L457-H461 CarbonylContact O-C 3.54Å; L457-S462 VanDerWaalsContact O-CA 3.3Å; L457-S462 WeakPolarHBondContact O-CA 3.38Å; L457-S462 PolarHBondContact O-N 2.86Å; L457-V465 HydrophobicContact CD2-CG1 3.71Å; L457-L509 HydrophobicContact CD1-CD1 4.33Å; L457-L509 HydrophobicContact CD1-CD2 3.55Å; L457-I522 HydrophobicContact CD1-CG2 4.3Å; L457-I522 HydrophobicContact CD2-CG2 4.1Å; L457-P524 HydrophobicContact CB-CG 4.01Å
458	L	92.3	Very high	92.6	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.136	14%	0.141	C	C	.	.	I	π-helix	trans	-83.5	-48.3	178.5	-69.8	179.9	0	0	0	112.9	S454 S455 L456 V531 L534 A538	S454-L458 WeakPolarHBondContact O-CB 3.21Å; S454-L458 WeakPolarHBondContact O-CG 3.15Å; S454-L458 PolarHBondContact O-N 3.21Å; S455-L458 PolarHBondContact O-N 3.35Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-L458 PolarHBondContact O-N 3.15Å; L458-V531 HydrophobicContact CD2-CG1 4.04Å; L458-L534 VanDerWaalsContact CD1-C 3.48Å; L458-L534 HydrophobicContact CD1-CB 3.72Å; L458-L534 HydrophobicContact CD2-CB 4.24Å; L458-L534 HydrophobicContact CD2-CD1 4.41Å; L458-L534 HydrophobicContact CG-CB 4.04Å; L458-A538 HydrophobicContact CD1-CB 4.11Å
459	Y	92.4	Very high	92.6	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.059	15%	0.153	C	C	.	.	I	π-helix	trans	-93.1	-29.6	-169.1	-52.5	-39.3	0	0	0	113.1	S455 A538 T542 F693 R696 M697	S455-Y459 VanDerWaalsContact O-CB 3.29Å; S455-Y459 WeakPolarHBondContact O-CB 3.05Å; S455-Y459 WeakPolarHBondContact O-CD2 3.26Å; S455-Y459 PolarHBondContact O-N 3.29Å; Y459-A538 HydrophobicContact CE2-CB 3.88Å; Y459-T542 PolarHBondContact OH-OG1 2.97Å; Y459-F693 HydrophobicContact CD2-CE2 4.24Å; Y459-F693 HydrophobicContact CG-CE2 4.48Å; Y459-R696 HydrophobicContact CD1-CB 4.01Å; Y459-R696 WeakPolarHBondContact CD1-O 3.47Å; Y459-R696 WeakPolarHBondContact CE1-O 3.35Å; Y459-R696 HydrophobicContact CG-CB 4.36Å; Y459-R696 WeakPolarHBondContact O-CD 3.45Å; Y459-R696 PolarHBondContact O-NH1 3.31Å; Y459-M697 HydrophobicContact CD2-CG 3.82Å; Y459-M697 HydrophobicContact CE2-CB 4.38Å; Y459-M697 HydrophobicContact CE2-CG 3.92Å; Y459-M697 HydrophobicContact CG-CG 4.36Å
460	K	91.7	Very high	92.6	Very high	46 Å²	46	27.3 Å²	27.3	20%	0.2	15%	0.153	C	C	.	.	I	π-helix	trans	-103.1	-49.1	178.9	-164	172.1	-178.2	175.9	0	112.2	L456 D473 E689 F693	L456-K460 HydrophobicContact CD2-CB 4.43Å; L456-K460 HydrophobicContact CD2-CD 4.28Å; L456-K460 CarbonylContact O-C 3.54Å; L456-K460 WeakPolarHBondContact O-CA 3.38Å; L456-K460 WeakPolarHBondContact O-CB 3.48Å; L456-K460 PolarHBondContact O-N 3.47Å; K460-D473 IonicContact NZ-OD1 3.52Å; K460-D473 PolarHBondContact NZ-OD1 3.17Å; K460-D473 IonicContact NZ-OD2 3.88Å; K460-E689 IonicContact NZ-OE2 3.33Å; K460-F693 HydrophobicContact CB-CD2 4Å; K460-F693 HydrophobicContact CB-CE2 4.46Å
461	H	91.8	Very high	92.6	Very high	31 Å²	31	28.6 Å²	28.6	14%	0.144	16%	0.161	C	C	.	.			trans	-116.5	44.6	-165.1	-62.8	-60.3	0	0	0	114.3	L456 L457 K463 G464 V465 D473	L456-H461 PolarHBondContact O-N 2.97Å; L457-H461 CarbonylContact O-C 3.54Å; H461-K463 PolarHBondContact O-N 3.49Å; H461-G464 PolarHBondContact O-N 3.44Å; H461-V465 HydrophobicContact CB-CB 3.79Å; H461-V465 HydrophobicContact CB-CG1 4.12Å; H461-V465 HydrophobicContact CB-CG2 4.49Å; H461-D473 IonicContact CD2-OD2 2.73Å; H461-D473 IonicContact CE1-OD2 2.91Å; H461-D473 PolarHBondContact CE1-OD2 2.92Å; H461-D473 IonicContact NE2-OD2 3.24Å; H461-D473 PolarHBondContact NE2-OD2 3.26Å
462	S	84.8	Confident	92.4	Very high	68 Å²	68	36.2 Å²	36.2	48%	0.476	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	-178	60.9	0	0	0	0	114.2	L457	L457-S462 VanDerWaalsContact O-CA 3.3Å; L457-S462 WeakPolarHBondContact O-CA 3.38Å; L457-S462 PolarHBondContact O-N 2.86Å
463	K	87.1	Confident	92.3	Very high	190 Å²	190	36.5 Å²	36.5	83%	0.826	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.8	176.4	-60.7	-177.5	-178.6	173.7	0	114	H461	H461-K463 PolarHBondContact O-N 3.49Å
464	G	90.6	Very high	92.3	Very high	18 Å²	18	36.6 Å²	36.6	19%	0.186	19%	0.192	C	C	.	.			trans	107.8	157.1	-177.4	0	0	0	0	0	114.5	H461 I522	H461-G464 PolarHBondContact O-N 3.44Å; G464-I522 CarbonylContact C-O 3.53Å; G464-I522 WeakPolarHBondContact CA-O 3.35Å
465	V	94	Very high	92.1	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.8	-176.1	65.2	0	0	0	0	111.2	L457 H461 V469 L470 I522	L457-V465 HydrophobicContact CD2-CG1 3.71Å; H461-V465 HydrophobicContact CB-CB 3.79Å; H461-V465 HydrophobicContact CB-CG1 4.12Å; H461-V465 HydrophobicContact CB-CG2 4.49Å; V465-V469 HydrophobicContact CG2-CB 3.71Å; V465-V469 HydrophobicContact CG2-CG1 3.6Å; V465-L470 HydrophobicContact CG1-CB 4.01Å; V465-L470 HydrophobicContact CG1-CD1 4.24Å; V465-L470 HydrophobicContact CG1-CD2 4.48Å; V465-L470 HydrophobicContact CG1-CG 4.47Å; V465-L470 HydrophobicContact CG2-CB 4.26Å; V465-I522 HydrophobicContact CG1-CB 4.49Å; V465-I522 PolarHBondContact N-O 3.21Å; V465-I522 PolarHBondContact O-N 3.39Å
466	S	92.8	Very high	91.9	Very high	25 Å²	25	40.6 Å²	40.6	18%	0.175	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	154.8	172.3	78.6	0	0	0	0	110.7	S468 V469 L470 D519	S466-S468 VanDerWaalsContact C-N 3.28Å; S466-S468 PolarHBondContact O-N 3.11Å; S466-S468 PolarHBondContact OG-OG 2.87Å; S466-V469 PolarHBondContact O-N 3.27Å; S466-V469 WeakPolarHBondContact OG-CG2 3.4Å; S466-V469 PolarHBondContact OG-N 3.33Å; S466-L470 WeakPolarHBondContact O-CB 3.49Å; S466-L470 PolarHBondContact O-N 2.99Å; S466-D519 WeakPolarHBondContact CB-OD2 3.46Å; S466-D519 PolarHBondContact OG-OD2 3.48Å; S466-D519 VanDerWaalsContact OG-OD2 3.05Å
467	T	90.3	Very high	91.8	Very high	30 Å²	30	40.6 Å²	40.6	18%	0.184	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-37.8	-177.2	-42.5	0	0	0	0	111.5	L470 C471 I498 L502 D519 P520 I522	T467-L470 PolarHBondContact O-N 3.28Å; T467-C471 PolarHBondContact O-N 3.35Å; T467-C471 PolarHBondContact O-SG 3.35Å; T467-I498 HydrophobicContact CG2-CG2 4.15Å; T467-L502 HydrophobicContact CG2-CD1 4.49Å; T467-D519 WeakPolarHBondContact CA-OD1 3.41Å; T467-D519 WeakPolarHBondContact CB-OD1 3.31Å; T467-D519 PolarHBondContact N-OD1 3.12Å; T467-D519 PolarHBondContact N-OD2 2.91Å; T467-D519 PolarHBondContact OG1-OD1 3.09Å; T467-P520 PolarHBondContact N-O 3.38Å; T467-P520 WeakPolarHBondContact OG1-CD 3.28Å; T467-P520 WeakPolarHBondContact OG1-CG 3.45Å; T467-P520 PolarHBondContact OG1-O 3.22Å; T467-I522 HydrophobicContact CG2-CD1 4.35Å
468	S	90.1	Very high	91.6	Very high	72 Å²	72	40.7 Å²	40.7	50%	0.503	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-42.5	177.2	55	0	0	0	0	113.3	S466 C471 R472 D519	S466-S468 VanDerWaalsContact C-N 3.28Å; S466-S468 PolarHBondContact O-N 3.11Å; S466-S468 PolarHBondContact OG-OG 2.87Å; S468-C471 WeakPolarHBondContact O-CB 3.41Å; S468-C471 PolarHBondContact O-N 3.46Å; S468-R472 PolarHBondContact O-N 2.82Å; S468-D519 VanDerWaalsContact CB-OD2 3.24Å; S468-D519 WeakPolarHBondContact CB-OD2 3.29Å; S468-D519 PolarHBondContact N-OD1 3.44Å; S468-D519 PolarHBondContact N-OD2 2.89Å; S468-D519 PolarHBondContact OG-OD2 3.42Å
469	V	92.4	Very high	91.5	Very high	42 Å²	42	45.2 Å²	45.2	26%	0.255	23%	0.233	S	C	.	.	H	α-helix	trans	-69.5	-41.7	176.6	174.4	0	0	0	0	110.3	V465 S466 C471 R472 D473	V465-V469 HydrophobicContact CG2-CB 3.71Å; V465-V469 HydrophobicContact CG2-CG1 3.6Å; S466-V469 PolarHBondContact O-N 3.27Å; S466-V469 WeakPolarHBondContact OG-CG2 3.4Å; S466-V469 PolarHBondContact OG-N 3.33Å; V469-C471 VanDerWaalsContact C-N 3.28Å; V469-C471 PolarHBondContact O-N 3.38Å; V469-R472 PolarHBondContact O-N 3.43Å; V469-D473 PolarHBondContact O-N 2.63Å
470	L	93.6	Very high	91.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-40.2	174.8	-177.3	62.6	0	0	0	111.4	V453 L456 V465 S466 T467 R472 D473 V474 I498 L502 I522	V453-L470 HydrophobicContact CG1-CD2 4.28Å; L456-L470 HydrophobicContact CB-CD1 4.24Å; L456-L470 HydrophobicContact CD1-CD1 4.06Å; V465-L470 HydrophobicContact CG1-CB 4.01Å; V465-L470 HydrophobicContact CG1-CD1 4.24Å; V465-L470 HydrophobicContact CG1-CD2 4.48Å; V465-L470 HydrophobicContact CG1-CG 4.47Å; V465-L470 HydrophobicContact CG2-CB 4.26Å; S466-L470 WeakPolarHBondContact O-CB 3.49Å; S466-L470 PolarHBondContact O-N 2.99Å; T467-L470 PolarHBondContact O-N 3.28Å; L470-R472 PolarHBondContact O-N 3.44Å; L470-D473 PolarHBondContact O-N 3.06Å; L470-V474 HydrophobicContact CD1-CG2 4.08Å; L470-V474 HydrophobicContact CG-CG2 4.25Å; L470-V474 WeakPolarHBondContact O-CB 3.34Å; L470-V474 VanDerWaalsContact O-CG2 3.23Å; L470-V474 WeakPolarHBondContact O-CG2 3.46Å; L470-V474 PolarHBondContact O-N 3.08Å; L470-I498 HydrophobicContact CD2-CG2 4.27Å; L470-L502 HydrophobicContact CD2-CD2 4.23Å; L470-I522 HydrophobicContact CD2-CD1 3.71Å
471	C	92.4	Very high	91.3	Very high	27 Å²	27	44.6 Å²	44.6	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-52.7	173.6	-68	0	0	0	0	112.1	T467 S468 V469 D473 V474 A475 L494 I498	T467-C471 PolarHBondContact O-N 3.35Å; T467-C471 PolarHBondContact O-SG 3.35Å; S468-C471 WeakPolarHBondContact O-CB 3.41Å; S468-C471 PolarHBondContact O-N 3.46Å; V469-C471 VanDerWaalsContact C-N 3.28Å; V469-C471 PolarHBondContact O-N 3.38Å; C471-D473 VanDerWaalsContact C-N 3.32Å; C471-D473 PolarHBondContact O-N 3.08Å; C471-V474 PolarHBondContact O-N 3.06Å; C471-A475 PolarHBondContact O-N 2.94Å; C471-L494 HydrophobicContact CB-CD2 4.12Å; C471-L494 HydrophobicContact CB-CG 4.47Å; C471-L494 WeakPolarHBondContact O-CD2 3.31Å; C471-I498 HydrophobicContact CB-CD1 3.75Å; C471-I498 WeakPolarHBondContact SG-CD1 3.49Å
472	R	92.3	Very high	91.1	Very high	163 Å²	163	44.2 Å²	44.2	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-58.7	-45.2	179.5	-177.4	-175.5	64.7	-166.7	-0	111.7	S468 V469 L470 A475 W476	S468-R472 PolarHBondContact O-N 2.82Å; V469-R472 PolarHBondContact O-N 3.43Å; L470-R472 PolarHBondContact O-N 3.44Å; R472-A475 WeakPolarHBondContact O-CB 3.39Å; R472-A475 PolarHBondContact O-N 3.25Å; R472-W476 PolarHBondContact O-N 3.04Å
473	D	93.4	Very high	91.1	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.032	24%	0.239	C	C	.	.	H	α-helix	trans	-72.8	-30.4	-177.5	-68.5	-31.5	0	0	0	112.9	L456 K460 H461 V469 L470 C471 L477	L456-D473 HydrophobicContact CD1-CB 3.97Å; L456-D473 HydrophobicContact CD2-CB 4.01Å; K460-D473 IonicContact NZ-OD1 3.52Å; K460-D473 PolarHBondContact NZ-OD1 3.17Å; K460-D473 IonicContact NZ-OD2 3.88Å; H461-D473 IonicContact CD2-OD2 2.73Å; H461-D473 IonicContact CE1-OD2 2.91Å; H461-D473 PolarHBondContact CE1-OD2 2.92Å; H461-D473 IonicContact NE2-OD2 3.24Å; H461-D473 PolarHBondContact NE2-OD2 3.26Å; V469-D473 PolarHBondContact O-N 2.63Å; L470-D473 PolarHBondContact O-N 3.06Å; C471-D473 VanDerWaalsContact C-N 3.32Å; C471-D473 PolarHBondContact O-N 3.08Å; D473-L477 WeakPolarHBondContact O-CB 3.48Å; D473-L477 PolarHBondContact O-N 3.38Å
474	V	94	Very high	91.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-40.8	170.7	169.2	0	0	0	0	110.8	L452 V453 L456 L470 C471 L477 L478 L494 I498	L452-V474 HydrophobicContact CD1-CG1 4.24Å; V453-V474 HydrophobicContact CG2-CG2 4.08Å; L456-V474 HydrophobicContact CD1-CB 4.22Å; L456-V474 HydrophobicContact CD1-CG2 3.47Å; L456-V474 VanDerWaalsContact CD1-CG2 3.47Å; L470-V474 HydrophobicContact CD1-CG2 4.08Å; L470-V474 HydrophobicContact CG-CG2 4.25Å; L470-V474 WeakPolarHBondContact O-CB 3.34Å; L470-V474 VanDerWaalsContact O-CG2 3.23Å; L470-V474 WeakPolarHBondContact O-CG2 3.46Å; L470-V474 PolarHBondContact O-N 3.08Å; C471-V474 PolarHBondContact O-N 3.06Å; V474-L477 PolarHBondContact O-N 2.92Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 PolarHBondContact O-N 3.48Å; V474-L494 HydrophobicContact CB-CD1 4.2Å; V474-L494 HydrophobicContact CG1-CD1 3.73Å; V474-I498 HydrophobicContact CB-CD1 4.25Å; V474-I498 HydrophobicContact CG1-CD1 4.49Å; V474-I498 HydrophobicContact CG1-CG1 4.46Å; V474-I498 HydrophobicContact CG2-CD1 4.33Å; V474-I498 HydrophobicContact CG2-CG1 4.35Å
475	A	92.4	Very high	91	Very high	23 Å²	23	45.4 Å²	45.4	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-47.7	175.5	0	0	0	0	0	111.1	C471 R472 L478 E479 L494	C471-A475 PolarHBondContact O-N 2.94Å; R472-A475 WeakPolarHBondContact O-CB 3.39Å; R472-A475 PolarHBondContact O-N 3.25Å; A475-L478 WeakPolarHBondContact O-CB 3.41Å; A475-L478 PolarHBondContact O-N 2.95Å; A475-E479 WeakPolarHBondContact O-CG 3.44Å; A475-E479 PolarHBondContact O-N 2.86Å; A475-L494 HydrophobicContact CB-CD2 3.93Å
476	W	91.6	Very high	90.7	Very high	60 Å²	60	47.6 Å²	47.6	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-52.3	174.5	166.7	71	0	0	0	112.1	L456 R472 L478 E479 E480 M690 F693	L456-W476 HydrophobicContact CD2-CZ3 4.34Å; R472-W476 PolarHBondContact O-N 3.04Å; W476-L478 VanDerWaalsContact C-N 3.26Å; W476-L478 PolarHBondContact O-N 2.98Å; W476-E479 WeakPolarHBondContact O-CB 3.37Å; W476-E479 PolarHBondContact O-N 3Å; W476-E479 VanDerWaalsContact O-N 3.1Å; W476-E480 HydrophobicContact CD2-CG 4.29Å; W476-E480 HydrophobicContact CZ2-CG 3.92Å; W476-E480 PolarHBondContact NE1-OE1 2.9Å; W476-E480 WeakPolarHBondContact O-CG 3.42Å; W476-E480 PolarHBondContact O-N 3.49Å; W476-M690 HydrophobicContact CH2-CE 4.14Å; W476-M690 HydrophobicContact CH2-SD 3.53Å; W476-M690 VanDerWaalsContact CH2-SD 3.53Å; W476-M690 HydrophobicContact CZ2-CE 3.67Å; W476-M690 HydrophobicContact CZ2-SD 3.41Å; W476-M690 WeakPolarHBondContact CZ2-SD 3.46Å; W476-F693 AromaticContact CH2-CD1 3.89Å; W476-F693 HydrophobicContact CH2-CD1 3.89Å; W476-F693 AromaticContact CH2-CE1 3.85Å; W476-F693 HydrophobicContact CH2-CE1 3.85Å; W476-F693 HydrophobicContact CZ3-CD1 4.4Å; W476-F693 HydrophobicContact CZ3-CE1 4.1Å; W476-F693 HydrophobicContact CZ3-CZ 4.38Å
477	L	93	Very high	90.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-33.5	-178.5	-175.7	60.9	0	0	0	112.1	L452 L456 D473 V474 E480 L481 V541 F545 F693	L452-L477 HydrophobicContact CB-CD2 4.24Å; L452-L477 HydrophobicContact CD2-CD2 3.93Å; L452-L477 HydrophobicContact CD2-CG 4.14Å; L456-L477 HydrophobicContact CD1-CD2 4.35Å; L456-L477 HydrophobicContact CD2-CB 4.48Å; L456-L477 HydrophobicContact CD2-CD2 4.12Å; L456-L477 HydrophobicContact CG-CD2 3.89Å; D473-L477 WeakPolarHBondContact O-CB 3.48Å; D473-L477 PolarHBondContact O-N 3.38Å; V474-L477 PolarHBondContact O-N 2.92Å; L477-E480 PolarHBondContact O-N 2.88Å; L477-L481 VanDerWaalsContact O-CG 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.48Å; L477-L481 PolarHBondContact O-N 3.46Å; L477-V541 HydrophobicContact CD1-CG1 4.3Å; L477-V541 HydrophobicContact CD2-CG1 4.43Å; L477-F545 HydrophobicContact CD1-CE2 3.79Å; L477-F545 HydrophobicContact CD1-CZ 3.71Å; L477-F693 HydrophobicContact CD1-CE1 4.17Å; L477-F693 HydrophobicContact CD1-CZ 4.04Å; L477-F693 HydrophobicContact CD2-CZ 4.47Å
478	L	91.8	Very high	90.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-43.9	173.9	174.7	60.7	0	0	0	111.6	L42 L452 V474 A475 W476 L481 L482 V488 F490	L42-L478 HydrophobicContact CD1-CD2 3.6Å; L452-L478 HydrophobicContact CD1-CB 4.38Å; V474-L478 WeakPolarHBondContact O-CB 3.46Å; V474-L478 PolarHBondContact O-N 3.48Å; A475-L478 WeakPolarHBondContact O-CB 3.41Å; A475-L478 PolarHBondContact O-N 2.95Å; W476-L478 VanDerWaalsContact C-N 3.26Å; W476-L478 PolarHBondContact O-N 2.98Å; L478-L481 PolarHBondContact O-N 3.49Å; L478-L482 HydrophobicContact CD1-CD1 3.99Å; L478-L482 HydrophobicContact CD1-CG 4.25Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 VanDerWaalsContact O-CG 3.3Å; L478-L482 WeakPolarHBondContact O-CG 3.24Å; L478-L482 PolarHBondContact O-N 3Å; L478-L482 VanDerWaalsContact O-N 3.07Å; L478-V488 HydrophobicContact CD1-CB 4.37Å; L478-V488 HydrophobicContact CD1-CG1 3.69Å; L478-V488 HydrophobicContact CD1-CG2 4.07Å; L478-F490 HydrophobicContact CD1-CZ 4.15Å; L478-F490 HydrophobicContact CD2-CE2 4.49Å
479	E	89.3	Confident	90.3	Very high	121 Å²	121	41.7 Å²	41.7	57%	0.565	19%	0.194	S	C	*	.	H	α-helix	trans	-61.1	-45.1	175.2	-72.1	170.9	-171.4	0	0	111.2	A475 W476 L481 L482 F483	A475-E479 WeakPolarHBondContact O-CG 3.44Å; A475-E479 PolarHBondContact O-N 2.86Å; W476-E479 WeakPolarHBondContact O-CB 3.37Å; W476-E479 PolarHBondContact O-N 3Å; W476-E479 VanDerWaalsContact O-N 3.1Å; E479-L481 VanDerWaalsContact C-N 3.31Å; E479-L481 PolarHBondContact O-N 3.15Å; E479-L482 PolarHBondContact O-N 3.31Å; E479-F483 WeakPolarHBondContact O-CB 3.45Å; E479-F483 PolarHBondContact O-N 3.48Å
480	E	89.3	Confident	90	Very high	47 Å²	47	40.4 Å²	40.4	22%	0.22	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-35.9	177.3	-69	-64.3	153.1	0	0	113.2	W476 L477 R484 F545	W476-E480 HydrophobicContact CD2-CG 4.29Å; W476-E480 HydrophobicContact CZ2-CG 3.92Å; W476-E480 PolarHBondContact NE1-OE1 2.9Å; W476-E480 WeakPolarHBondContact O-CG 3.42Å; W476-E480 PolarHBondContact O-N 3.49Å; L477-E480 PolarHBondContact O-N 2.88Å; E480-R484 WeakPolarHBondContact O-CG 3.43Å; E480-R484 PolarHBondContact O-N 2.79Å; E480-R484 PolarHBondContact O-NH1 2.97Å; E480-R484 IonicContact OE2-CZ 3.63Å; E480-R484 IonicContact OE2-NH1 3.72Å; E480-R484 PolarHBondContact OE2-NH1 3.18Å; E480-R484 IonicContact OE2-NH2 2.73Å; E480-F545 HydrophobicContact CB-CE1 4.01Å; E480-F545 HydrophobicContact CB-CZ 3.69Å
481	L	90.7	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.7	-42.6	175.5	-76	174	0	0	0	112.3	V447 L452 L477 L478 E479 R484 N485 R486 V488 T544 F545	V447-L481 HydrophobicContact CB-CD1 4.17Å; V447-L481 HydrophobicContact CG1-CD1 3.94Å; V447-L481 HydrophobicContact CG2-CD1 4.31Å; V447-L481 HydrophobicContact CG2-CD2 4.34Å; L452-L481 HydrophobicContact CD2-CD1 3.19Å; L452-L481 HydrophobicContact CG-CD1 4.47Å; L477-L481 VanDerWaalsContact O-CG 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.48Å; L477-L481 PolarHBondContact O-N 3.46Å; L478-L481 PolarHBondContact O-N 3.49Å; E479-L481 VanDerWaalsContact C-N 3.31Å; E479-L481 PolarHBondContact O-N 3.15Å; L481-R484 CarbonylContact O-C 3.29Å; L481-R484 PolarHBondContact O-N 3.5Å; L481-N485 PolarHBondContact O-N 3.3Å; L481-R486 PolarHBondContact O-N 3.07Å; L481-V488 HydrophobicContact CD1-CG1 4.48Å; L481-T544 HydrophobicContact CD2-CG2 3.48Å; L481-T544 VanDerWaalsContact CD2-CG2 3.48Å; L481-F545 HydrophobicContact CD2-CD2 4.37Å; L481-F545 HydrophobicContact CD2-CE2 3.55Å; L481-F545 HydrophobicContact CD2-CZ 4.27Å; L481-F545 HydrophobicContact CG-CE2 4.13Å; L481-F545 HydrophobicContact CG-CZ 4.49Å
482	L	87.2	Confident	89	Confident	23 Å²	23	40.9 Å²	40.9	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-38.4	178.7	-68.1	169.6	0	0	0	110.9	I44 L478 E479 R484 N485	I44-L482 HydrophobicContact CB-CD1 4.21Å; I44-L482 HydrophobicContact CD1-CD1 3.62Å; I44-L482 HydrophobicContact CG2-CD1 3.91Å; L478-L482 HydrophobicContact CD1-CD1 3.99Å; L478-L482 HydrophobicContact CD1-CG 4.25Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 VanDerWaalsContact O-CG 3.3Å; L478-L482 WeakPolarHBondContact O-CG 3.24Å; L478-L482 PolarHBondContact O-N 3Å; L478-L482 VanDerWaalsContact O-N 3.07Å; E479-L482 PolarHBondContact O-N 3.31Å; L482-R484 PolarHBondContact O-N 2.97Å; L482-N485 WeakPolarHBondContact O-CA 3.36Å; L482-N485 PolarHBondContact O-N 2.86Å
483	F	86	Confident	88.7	Confident	152 Å²	152	36.6 Å²	36.6	67%	0.667	19%	0.187	S	C	*	.	H	α-helix	trans	-57	-36.2	172.3	-178.2	-101.8	0	0	0	112	E479 N485	E479-F483 WeakPolarHBondContact O-CB 3.45Å; E479-F483 PolarHBondContact O-N 3.48Å; F483-N485 PolarHBondContact O-N 3.23Å
484	R	87.4	Confident	88.5	Confident	36 Å²	36	38 Å²	38	14%	0.136	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	14.8	175	-70.3	170.6	179.2	72	2.9	114.1	E480 L481 L482 R486 T544 E548 C632	E480-R484 WeakPolarHBondContact O-CG 3.43Å; E480-R484 PolarHBondContact O-N 2.79Å; E480-R484 PolarHBondContact O-NH1 2.97Å; E480-R484 IonicContact OE2-CZ 3.63Å; E480-R484 IonicContact OE2-NH1 3.72Å; E480-R484 PolarHBondContact OE2-NH1 3.18Å; E480-R484 IonicContact OE2-NH2 2.73Å; L481-R484 CarbonylContact O-C 3.29Å; L481-R484 PolarHBondContact O-N 3.5Å; L482-R484 PolarHBondContact O-N 2.97Å; R484-R486 VanDerWaalsContact C-N 3.28Å; R484-R486 PolarHBondContact O-N 3.36Å; R484-T544 HydrophobicContact CB-CG2 4.01Å; R484-E548 IonicContact CZ-OE1 2.83Å; R484-E548 VanDerWaalsContact CZ-OE1 3.24Å; R484-E548 IonicContact NE-OE1 3.77Å; R484-E548 PolarHBondContact NE-OE1 3.1Å; R484-E548 IonicContact NE-OE2 3.83Å; R484-E548 IonicContact NH2-OE1 2.87Å; R484-E548 PolarHBondContact NH2-OE1 2.99Å; R484-C632 PolarHBondContact NH2-SG 3.28Å
485	N	86.4	Confident	88.2	Confident	114 Å²	114	42 Å²	42	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.4	-177.6	-69.9	-53.7	0	0	0	113	P47 M49 L481 L482 F483	P47-N485 HydrophobicContact CB-CB 4.21Å; M49-N485 WeakPolarHBondContact CE-O 3.41Å; L481-N485 PolarHBondContact O-N 3.3Å; L482-N485 WeakPolarHBondContact O-CA 3.36Å; L482-N485 PolarHBondContact O-N 2.86Å; F483-N485 PolarHBondContact O-N 3.23Å
486	R	88.2	Confident	88	Confident	53 Å²	53	46.7 Å²	46.7	20%	0.2	24%	0.238	C	C	.	.			trans	-102.8	138.7	171.4	-61.9	-52.2	-174.4	168.8	-2.9	112.1	S443 L481 R484 T544	S443-R486 VanDerWaalsContact CB-NH1 3.32Å; S443-R486 PolarHBondContact O-NH1 3.18Å; S443-R486 PolarHBondContact OG-NH1 3.35Å; L481-R486 PolarHBondContact O-N 3.07Å; R484-R486 VanDerWaalsContact C-N 3.28Å; R484-R486 PolarHBondContact O-N 3.36Å; R486-T544 HydrophobicContact CB-CG2 4.27Å; R486-T544 HydrophobicContact CG-CG2 3.32Å
487	D	88.4	Confident	88	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	23%	0.23	C	C	.	.			trans	-84	153.6	176.6	-171.6	25.7	0	0	0	111.1	R46 P47 M49 H360 A446 V447	R46-D487 IonicContact CZ-OD1 3.94Å; R46-D487 IonicContact NH1-OD1 3.71Å; R46-D487 PolarHBondContact NH1-OD1 3.3Å; P47-D487 HydrophobicContact CG-CB 4.3Å; M49-D487 HydrophobicContact CG-CB 3.56Å; M49-D487 HydrophobicContact SD-CB 4.45Å; H360-D487 IonicContact CD2-OD2 3.36Å; H360-D487 IonicContact CE1-OD2 2.79Å; H360-D487 IonicContact NE2-OD2 3.19Å; H360-D487 PolarHBondContact NE2-OD2 2.93Å; A446-D487 WeakPolarHBondContact CA-O 3.2Å; A446-D487 HydrophobicContact CB-CB 4.48Å; V447-D487 PolarHBondContact N-O 2.98Å
488	V	89.2	Confident	87.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-122.6	139.6	-177.5	-65.8	0	0	0	0	111.5	C41 R46 V447 L478 L481 F490	C41-V488 HydrophobicContact CB-CG2 4.24Å; R46-V488 PolarHBondContact NH1-O 3.47Å; V447-V488 HydrophobicContact CB-CG1 4.5Å; V447-V488 CarbonylContact O-C 3.57Å; V447-V488 VanDerWaalsContact O-CA 3.26Å; V447-V488 WeakPolarHBondContact O-CA 3.38Å; L478-V488 HydrophobicContact CD1-CB 4.37Å; L478-V488 HydrophobicContact CD1-CG1 3.69Å; L478-V488 HydrophobicContact CD1-CG2 4.07Å; L481-V488 HydrophobicContact CD1-CG1 4.48Å; V488-F490 HydrophobicContact CB-CD1 4.17Å; V488-F490 HydrophobicContact CB-CE1 3.77Å; V488-F490 HydrophobicContact CB-CZ 4.13Å; V488-F490 HydrophobicContact CG1-CE1 4.25Å; V488-F490 HydrophobicContact CG1-CZ 4.42Å; V488-F490 HydrophobicContact CG2-CE1 4.46Å; V488-F490 HydrophobicContact CG2-CZ 4.45Å; V488-F490 PolarHBondContact O-N 3.3Å
489	G	87	Confident	87.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.01	25%	0.253	C	S	.	.	S	Bend	trans	-80.2	6	-170.8	0	0	0	0	0	116.3	M358 V447	M358-G489 VanDerWaalsContact CE-O 3.3Å; M358-G489 WeakPolarHBondContact CE-O 3.29Å; V447-G489 PolarHBondContact O-N 3.28Å
490	F	86.4	Confident	87.9	Confident	14 Å²	14	47.3 Å²	47.3	6%	0.061	24%	0.24	C	C	.	.			trans	-135.1	171.7	-170.9	59.9	-88.3	0	0	0	111.9	R46 L452 L478 V488 I497	R46-F490 PolarHBondContact NH2-O 3.24Å; L452-F490 HydrophobicContact CD1-CE1 3.92Å; L452-F490 HydrophobicContact CD1-CZ 3.5Å; L452-F490 VanDerWaalsContact CD1-CZ 3.5Å; L452-F490 HydrophobicContact CG-CE1 4.39Å; L452-F490 HydrophobicContact CG-CZ 4.42Å; L478-F490 HydrophobicContact CD1-CZ 4.15Å; L478-F490 HydrophobicContact CD2-CE2 4.49Å; V488-F490 HydrophobicContact CB-CD1 4.17Å; V488-F490 HydrophobicContact CB-CE1 3.77Å; V488-F490 HydrophobicContact CB-CZ 4.13Å; V488-F490 HydrophobicContact CG1-CE1 4.25Å; V488-F490 HydrophobicContact CG1-CZ 4.42Å; V488-F490 HydrophobicContact CG2-CE1 4.46Å; V488-F490 HydrophobicContact CG2-CZ 4.45Å; V488-F490 PolarHBondContact O-N 3.3Å; F490-I497 HydrophobicContact CD2-CD1 3.68Å; F490-I497 HydrophobicContact CD2-CG1 3.94Å; F490-I497 HydrophobicContact CD2-CG2 3.74Å; F490-I497 HydrophobicContact CE2-CD1 3.86Å; F490-I497 HydrophobicContact CE2-CG1 4.44Å; F490-I497 HydrophobicContact CE2-CG2 3.82Å; F490-I497 HydrophobicContact CG-CG2 4.46Å
491	G	81.6	Confident	88.1	Confident	14 Å²	14	45 Å²	45	14%	0.144	23%	0.23	C	C	.	.			trans	-166.5	158	175	0	0	0	0	0	110.6
492	G	83.5	Confident	88.2	Confident	24 Å²	24	45.8 Å²	45.8	25%	0.247	23%	0.234	C	C	.	.	S	Bend	trans	136.1	-169.6	-173.8	0	0	0	0	0	111.5	L42	L42-G492 WeakPolarHBondContact CD2-O 3.28Å
493	T	86.9	Confident	88.4	Confident	72 Å²	72	47.7 Å²	47.7	44%	0.442	25%	0.253	S	S	.	.			trans	-78.8	147.8	173.1	64.9	0	0	0	0	110.5	P495 E496 I497	T493-P495 VanDerWaalsContact C-CD 3.49Å; T493-E496 PolarHBondContact N-OE2 2.91Å; T493-E496 WeakPolarHBondContact O-CB 3.42Å; T493-E496 PolarHBondContact O-N 3.48Å; T493-E496 VanDerWaalsContact O-N 3.1Å; T493-E496 WeakPolarHBondContact OG1-CG 3.44Å; T493-E496 PolarHBondContact OG1-OE2 3.05Å; T493-I497 WeakPolarHBondContact O-CG1 3.49Å; T493-I497 PolarHBondContact O-N 3.34Å
494	L	87.8	Confident	88.5	Confident	36 Å²	36	41.7 Å²	41.7	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-53.9	-42.9	-177.8	-178.3	66.2	0	0	0	113.8	C471 V474 A475 E496 I497 I498	C471-L494 HydrophobicContact CB-CD2 4.12Å; C471-L494 HydrophobicContact CB-CG 4.47Å; C471-L494 WeakPolarHBondContact O-CD2 3.31Å; V474-L494 HydrophobicContact CB-CD1 4.2Å; V474-L494 HydrophobicContact CG1-CD1 3.73Å; A475-L494 HydrophobicContact CB-CD2 3.93Å; L494-E496 PolarHBondContact O-N 2.65Å; L494-I497 PolarHBondContact O-N 3.37Å; L494-I498 HydrophobicContact CD1-CD1 3.82Å; L494-I498 HydrophobicContact CD1-CG1 4.43Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 WeakPolarHBondContact O-CG1 3.15Å; L494-I498 PolarHBondContact O-N 2.91Å
495	P	87.9	Confident	88.8	Confident	87 Å²	87	40.1 Å²	40.1	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-64.1	-38.2	176.8	-22.4	35.2	0	0	0	113.4	T493 I498 H499	T493-P495 VanDerWaalsContact C-CD 3.49Å; P495-I498 PolarHBondContact O-N 2.7Å; P495-H499 VanDerWaalsContact O-CB 3.3Å; P495-H499 WeakPolarHBondContact O-CB 3.38Å; P495-H499 PolarHBondContact O-N 3.43Å
496	E	89	Confident	88.9	Confident	122 Å²	122	36.7 Å²	36.7	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-65.6	-42.1	177.2	-70.9	169.6	149.9	0	0	111.2	T493 L494 I498 H499 Y500	T493-E496 PolarHBondContact N-OE2 2.91Å; T493-E496 WeakPolarHBondContact O-CB 3.42Å; T493-E496 PolarHBondContact O-N 3.48Å; T493-E496 VanDerWaalsContact O-N 3.1Å; T493-E496 WeakPolarHBondContact OG1-CG 3.44Å; T493-E496 PolarHBondContact OG1-OE2 3.05Å; L494-E496 PolarHBondContact O-N 2.65Å; E496-I498 VanDerWaalsContact C-N 3.35Å; E496-H499 PolarHBondContact O-N 3.36Å; E496-Y500 VanDerWaalsContact O-CB 3.23Å; E496-Y500 WeakPolarHBondContact O-CB 3.39Å; E496-Y500 PolarHBondContact O-N 2.97Å
497	I	90.3	Very high	89	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-45.7	178.1	-67.8	161	0	0	0	110.3	F490 T493 L494 Y500 S501	F490-I497 HydrophobicContact CD2-CD1 3.68Å; F490-I497 HydrophobicContact CD2-CG1 3.94Å; F490-I497 HydrophobicContact CD2-CG2 3.74Å; F490-I497 HydrophobicContact CE2-CD1 3.86Å; F490-I497 HydrophobicContact CE2-CG1 4.44Å; F490-I497 HydrophobicContact CE2-CG2 3.82Å; F490-I497 HydrophobicContact CG-CG2 4.46Å; T493-I497 WeakPolarHBondContact O-CG1 3.49Å; T493-I497 PolarHBondContact O-N 3.34Å; L494-I497 PolarHBondContact O-N 3.37Å; I497-Y500 PolarHBondContact O-N 2.95Å; I497-S501 PolarHBondContact O-N 2.81Å; I497-S501 PolarHBondContact O-OG 3.18Å
498	I	91.9	Very high	89	Confident	3 Å²	3	39 Å²	39	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-69.8	-43.5	-178.7	-70.5	164.6	0	0	0	110.8	T467 L470 C471 V474 L494 P495 E496 Y500 S501 L502	T467-I498 HydrophobicContact CG2-CG2 4.15Å; L470-I498 HydrophobicContact CD2-CG2 4.27Å; C471-I498 HydrophobicContact CB-CD1 3.75Å; C471-I498 WeakPolarHBondContact SG-CD1 3.49Å; V474-I498 HydrophobicContact CB-CD1 4.25Å; V474-I498 HydrophobicContact CG1-CD1 4.49Å; V474-I498 HydrophobicContact CG1-CG1 4.46Å; V474-I498 HydrophobicContact CG2-CD1 4.33Å; V474-I498 HydrophobicContact CG2-CG1 4.35Å; L494-I498 HydrophobicContact CD1-CD1 3.82Å; L494-I498 HydrophobicContact CD1-CG1 4.43Å; L494-I498 HydrophobicContact CG-CD1 3.91Å; L494-I498 WeakPolarHBondContact O-CG1 3.15Å; L494-I498 PolarHBondContact O-N 2.91Å; P495-I498 PolarHBondContact O-N 2.7Å; E496-I498 VanDerWaalsContact C-N 3.35Å; I498-Y500 VanDerWaalsContact C-N 3.29Å; I498-Y500 PolarHBondContact O-N 2.91Å; I498-S501 PolarHBondContact O-N 3.48Å; I498-L502 HydrophobicContact CG2-CD1 3.69Å; I498-L502 HydrophobicContact CG2-CG 4.13Å; I498-L502 WeakPolarHBondContact O-CB 3.25Å; I498-L502 WeakPolarHBondContact O-CG 3.28Å; I498-L502 PolarHBondContact O-N 3.44Å
499	H	90.4	Very high	89.2	Confident	105 Å²	105	39.1 Å²	39.1	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-43.1	175.3	-172.1	75.8	0	0	0	111.6	W28 P495 E496 A503	W28-H499 AromaticContact CE3-CE1 3.85Å; W28-H499 AromaticContact CZ3-CE1 3.75Å; P495-H499 VanDerWaalsContact O-CB 3.3Å; P495-H499 WeakPolarHBondContact O-CB 3.38Å; P495-H499 PolarHBondContact O-N 3.43Å; E496-H499 PolarHBondContact O-N 3.36Å; H499-A503 WeakPolarHBondContact O-CB 3.45Å; H499-A503 PolarHBondContact O-N 2.77Å
500	Y	90.6	Very high	89.5	Confident	78 Å²	78	42.3 Å²	42.3	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-50.5	174.6	173.3	-101.4	0	0	0	112.1	D326 G355 S356 E496 I497 I498 L502 A503 L504	D326-Y500 WeakPolarHBondContact OD2-CE1 3.28Å; D326-Y500 PolarHBondContact OD2-OH 2.99Å; G355-Y500 WeakPolarHBondContact CA-OH 3.45Å; S356-Y500 PolarHBondContact N-OH 3.48Å; E496-Y500 VanDerWaalsContact O-CB 3.23Å; E496-Y500 WeakPolarHBondContact O-CB 3.39Å; E496-Y500 PolarHBondContact O-N 2.97Å; I497-Y500 PolarHBondContact O-N 2.95Å; I498-Y500 VanDerWaalsContact C-N 3.29Å; I498-Y500 PolarHBondContact O-N 2.91Å; Y500-L502 PolarHBondContact O-N 3.1Å; Y500-A503 PolarHBondContact O-N 3.33Å; Y500-L504 HydrophobicContact CD1-CD1 4.26Å; Y500-L504 HydrophobicContact CE1-CD1 3.61Å; Y500-L504 HydrophobicContact CE2-CD1 4.05Å; Y500-L504 HydrophobicContact CE2-CG 4.45Å; Y500-L504 PolarHBondContact O-N 2.86Å; Y500-L504 VanDerWaalsContact O-N 3.12Å
501	S	92.9	Very high	89.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-45.1	178	-66.8	0	0	0	0	112.4	S449 T450 I497 I498 A503 L504 L505	S449-S501 WeakPolarHBondContact CB-OG 3.26Å; S449-S501 PolarHBondContact O-OG 3.34Å; S449-S501 PolarHBondContact OG-OG 3.23Å; T450-S501 PolarHBondContact N-OG 2.85Å; I497-S501 PolarHBondContact O-N 2.81Å; I497-S501 PolarHBondContact O-OG 3.18Å; I498-S501 PolarHBondContact O-N 3.48Å; S501-A503 VanDerWaalsContact C-N 3.32Å; S501-A503 PolarHBondContact O-N 2.89Å; S501-L504 PolarHBondContact O-N 3.4Å; S501-L505 WeakPolarHBondContact O-CB 3.41Å; S501-L505 VanDerWaalsContact O-CG 3.29Å; S501-L505 WeakPolarHBondContact O-CG 3.2Å; S501-L505 PolarHBondContact O-N 3.33Å
502	L	92.9	Very high	89.8	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-34.5	179.1	-67.6	174.9	0	0	0	112.1	V453 T467 L470 I498 Y500 A506 L509 I522	V453-L502 HydrophobicContact CG1-CD2 4.24Å; T467-L502 HydrophobicContact CG2-CD1 4.49Å; L470-L502 HydrophobicContact CD2-CD2 4.23Å; I498-L502 HydrophobicContact CG2-CD1 3.69Å; I498-L502 HydrophobicContact CG2-CG 4.13Å; I498-L502 WeakPolarHBondContact O-CB 3.25Å; I498-L502 WeakPolarHBondContact O-CG 3.28Å; I498-L502 PolarHBondContact O-N 3.44Å; Y500-L502 PolarHBondContact O-N 3.1Å; L502-A506 WeakPolarHBondContact O-CA 3.23Å; L502-A506 WeakPolarHBondContact O-CB 3.39Å; L502-A506 PolarHBondContact O-N 3.41Å; L502-L509 HydrophobicContact CD2-CD1 3.72Å; L502-I522 HydrophobicContact CD1-CD1 3.52Å; L502-I522 HydrophobicContact CD1-CG1 4.37Å; L502-I522 HydrophobicContact CD2-CD1 3.89Å; L502-I522 HydrophobicContact CD2-CG1 4.34Å; L502-I522 HydrophobicContact CD2-CG2 3.88Å; L502-I522 HydrophobicContact CG-CD1 4.37Å
503	A	90.8	Very high	89.6	Confident	62 Å²	62	49.2 Å²	49.2	51%	0.512	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-39.6	175	0	0	0	0	0	112	H499 Y500 S501 A506	H499-A503 WeakPolarHBondContact O-CB 3.45Å; H499-A503 PolarHBondContact O-N 2.77Å; Y500-A503 PolarHBondContact O-N 3.33Å; S501-A503 VanDerWaalsContact C-N 3.32Å; S501-A503 PolarHBondContact O-N 2.89Å; A503-A506 WeakPolarHBondContact O-CB 3.37Å
504	L	89.9	Confident	88.8	Confident	27 Å²	27	50.4 Å²	50.4	14%	0.141	30%	0.297	C	S	.	.	H	α-helix	trans	-71.5	-40.5	175.8	-66.2	-178.7	0	0	0	112.5	D326 A354 T450 Y500 S501 A506 P507	D326-L504 HydrophobicContact CB-CD1 3.72Å; A354-L504 HydrophobicContact CB-CD2 3.92Å; T450-L504 HydrophobicContact CG2-CB 4.13Å; T450-L504 HydrophobicContact CG2-CD1 3.96Å; Y500-L504 HydrophobicContact CD1-CD1 4.26Å; Y500-L504 HydrophobicContact CE1-CD1 3.61Å; Y500-L504 HydrophobicContact CE2-CD1 4.05Å; Y500-L504 HydrophobicContact CE2-CG 4.45Å; Y500-L504 PolarHBondContact O-N 2.86Å; Y500-L504 VanDerWaalsContact O-N 3.12Å; S501-L504 PolarHBondContact O-N 3.4Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 3.39Å; L504-P507 WeakPolarHBondContact O-CD 3.29Å
505	L	91.7	Very high	87.6	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-81.1	-5.7	-179.7	-64.6	175.6	0	0	0	113.3	T450 V453 S501 P507 H508 L509 L534 L537	T450-L505 HydrophobicContact CG2-CD1 4.48Å; T450-L505 HydrophobicContact CG2-CD2 4.44Å; T450-L505 HydrophobicContact CG2-CG 4.17Å; V453-L505 HydrophobicContact CB-CD1 4.11Å; V453-L505 HydrophobicContact CG1-CD1 3.82Å; S501-L505 WeakPolarHBondContact O-CB 3.41Å; S501-L505 VanDerWaalsContact O-CG 3.29Å; S501-L505 WeakPolarHBondContact O-CG 3.2Å; S501-L505 PolarHBondContact O-N 3.33Å; L505-P507 VanDerWaalsContact C-N 3.29Å; L505-P507 WeakPolarHBondContact O-CD 3.38Å; L505-P507 VanDerWaalsContact O-N 3.07Å; L505-H508 WeakPolarHBondContact O-CA 3.45Å; L505-H508 PolarHBondContact O-N 3.38Å; L505-L509 HydrophobicContact CB-CD1 3.56Å; L505-L509 HydrophobicContact CB-CG 4Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 2.92Å; L505-L534 HydrophobicContact CD1-CD2 4.23Å; L505-L534 HydrophobicContact CD2-CD2 3.89Å; L505-L537 HydrophobicContact CD2-CD1 3.71Å
506	A	90	Very high	86.5	Confident	43 Å²	43	56.3 Å²	56.3	36%	0.355	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-47.4	-38.5	-176	0	0	0	0	0	115.3	L502 A503 L504 H508 L509	L502-A506 WeakPolarHBondContact O-CA 3.23Å; L502-A506 WeakPolarHBondContact O-CB 3.39Å; L502-A506 PolarHBondContact O-N 3.41Å; A503-A506 WeakPolarHBondContact O-CB 3.37Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 3.39Å; A506-H508 PolarHBondContact O-N 3.18Å; A506-L509 PolarHBondContact O-N 2.89Å
507	P	88.8	Confident	85.3	Confident	77 Å²	77	58.8 Å²	58.8	50%	0.5	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-61.1	-29.3	175.6	-23.6	35.5	0	0	0	114	L504 L505 R525	L504-P507 WeakPolarHBondContact O-CD 3.29Å; L505-P507 VanDerWaalsContact C-N 3.29Å; L505-P507 WeakPolarHBondContact O-CD 3.38Å; L505-P507 VanDerWaalsContact O-N 3.07Å; P507-R525 VanDerWaalsContact O-CZ 3.25Å; P507-R525 PolarHBondContact O-NE 3.37Å; P507-R525 PolarHBondContact O-NH2 2.85Å
508	H	90.4	Very high	84.4	Confident	25 Å²	25	68.9 Å²	68.9	12%	0.116	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-100.1	0.7	-174.6	-53.9	-59.8	0	0	0	113.2	L505 A506 R525 H533 L534	L505-H508 WeakPolarHBondContact O-CA 3.45Å; L505-H508 PolarHBondContact O-N 3.38Å; A506-H508 PolarHBondContact O-N 3.18Å; H508-R525 WeakPolarHBondContact O-CB 3.4Å; H508-R525 PolarHBondContact O-N 2.88Å; H508-H533 AromaticContact CD2-CD2 3.45Å; H508-H533 PolarHBondContact CD2-CD2 3.04Å; H508-H533 VanDerWaalsContact CD2-CD2 3.45Å; H508-H533 AromaticContact CD2-CG 3.82Å; H508-H533 AromaticContact CD2-NE2 3.86Å; H508-H533 AromaticContact CE1-CG 3.9Å; H508-H533 AromaticContact NE2-CD2 3.57Å; H508-H533 AromaticContact NE2-CE1 3.82Å; H508-H533 AromaticContact NE2-CG 3.55Å; H508-H533 AromaticContact NE2-ND1 3.73Å; H508-H533 AromaticContact NE2-NE2 3.78Å; H508-L534 HydrophobicContact CB-CG 4.47Å
509	L	92.7	Very high	83.9	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.2	-176.9	-59.4	178.5	0	0	0	111.4	L457 L502 L505 A506 I511 I522 V523 R525 L534	L457-L509 HydrophobicContact CD1-CD1 4.33Å; L457-L509 HydrophobicContact CD1-CD2 3.55Å; L502-L509 HydrophobicContact CD2-CD1 3.72Å; L505-L509 HydrophobicContact CB-CD1 3.56Å; L505-L509 HydrophobicContact CB-CG 4Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 2.92Å; A506-L509 PolarHBondContact O-N 2.89Å; L509-I511 HydrophobicContact CB-CG1 4.45Å; L509-I522 HydrophobicContact CD1-CG2 4.11Å; L509-V523 WeakPolarHBondContact CA-O 3.24Å; L509-R525 PolarHBondContact O-NH2 3.48Å; L509-L534 HydrophobicContact CD2-CD1 4.29Å
510	V	92.1	Very high	83.8	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.418	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.6	164.2	-179.6	0	0	0	0	106.7	V523 R525	V510-V523 PolarHBondContact N-O 3.19Å; V510-V523 PolarHBondContact O-N 2.84Å; V510-R525 HydrophobicContact CG2-CB 4.25Å; V510-R525 HydrophobicContact CG2-CG 4.41Å
511	I	89.5	Confident	83.8	Confident	72 Å²	72	67.4 Å²	67.4	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110	178.4	-55.9	176	0	0	0	107.3	L509 P520 L521	L509-I511 HydrophobicContact CB-CG1 4.45Å; I511-P520 HydrophobicContact CG2-CB 3.99Å; I511-L521 WeakPolarHBondContact CA-O 3.41Å
512	A	85.9	Confident	83.9	Confident	42 Å²	42	67.4 Å²	67.4	35%	0.347	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.1	-179.1	0	0	0	0	0	110.2	P520 L521	A512-P520 WeakPolarHBondContact O-CA 3.43Å; A512-L521 PolarHBondContact N-O 3.47Å; A512-L521 PolarHBondContact O-N 3.42Å
513	A	78.6	Confident	83.8	Confident	83 Å²	83	68.5 Å²	68.5	69%	0.686	40%	0.397	S	S	*	.			trans	-91.5	113.3	168.8	0	0	0	0	0	108.7
514	L	70.8	Confident	83.9	Confident	96 Å²	96	66.2 Å²	66.2	50%	0.503	38%	0.378	S	S	.	.			trans	-81.2	132.1	175.9	-135.9	73.3	0	0	0	108.8	S516 R517	L514-S516 PolarHBondContact O-N 3.19Å; L514-R517 HydrophobicContact CB-CB 4.14Å; L514-R517 HydrophobicContact CB-CG 4.48Å; L514-R517 PolarHBondContact O-N 3.21Å; L514-R517 VanDerWaalsContact O-O 3.07Å
515	P	63.1	Low	84	Confident	142 Å²	142	69.9 Å²	69.9	92%	0.922	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.1	-176.7	-26.1	33	0	0	0	114.7
516	S	65	Low	83.7	Confident	105 Å²	105	74.5 Å²	74.5	73%	0.734	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-11.1	178.6	58.9	0	0	0	0	114.9	L514	L514-S516 PolarHBondContact O-N 3.19Å
517	R	62.2	Low	83.6	Confident	174 Å²	174	74.4 Å²	74.4	66%	0.657	42%	0.416	S	S	*	.			trans	-116	125.6	-177	-72.7	-169.2	177.6	-162.9	0.7	111.1	L514 D519	L514-R517 HydrophobicContact CB-CB 4.14Å; L514-R517 HydrophobicContact CB-CG 4.48Å; L514-R517 PolarHBondContact O-N 3.21Å; L514-R517 VanDerWaalsContact O-O 3.07Å; R517-D519 PolarHBondContact O-N 3.41Å
518	K	72.1	Confident	83.6	Confident	223 Å²	223	72.6 Å²	72.6	97%	0.97	40%	0.404	S	S	*	.	S	Bend	trans	-69	-17.4	174.1	-68.9	-174.9	178.3	-179.9	0	113.5
519	D	82	Confident	83.5	Confident	43 Å²	43	74.7 Å²	74.7	23%	0.23	43%	0.426	C	S	.	.	S	Bend	trans	-106.7	115.3	-177.4	-169.1	4.7	0	0	0	110.4	S466 T467 S468 R517	S466-D519 WeakPolarHBondContact CB-OD2 3.46Å; S466-D519 PolarHBondContact OG-OD2 3.48Å; S466-D519 VanDerWaalsContact OG-OD2 3.05Å; T467-D519 WeakPolarHBondContact CA-OD1 3.41Å; T467-D519 WeakPolarHBondContact CB-OD1 3.31Å; T467-D519 PolarHBondContact N-OD1 3.12Å; T467-D519 PolarHBondContact N-OD2 2.91Å; T467-D519 PolarHBondContact OG1-OD1 3.09Å; S468-D519 VanDerWaalsContact CB-OD2 3.24Å; S468-D519 WeakPolarHBondContact CB-OD2 3.29Å; S468-D519 PolarHBondContact N-OD1 3.44Å; S468-D519 PolarHBondContact N-OD2 2.89Å; S468-D519 PolarHBondContact OG-OD2 3.42Å; R517-D519 PolarHBondContact O-N 3.41Å
520	P	87.4	Confident	83.3	Confident	34 Å²	34	74.8 Å²	74.8	22%	0.221	43%	0.427	C	S	.	.			trans	-69.8	146.8	-179.2	26.2	-29.8	0	0	0	111.5	T467 I511 A512	T467-P520 PolarHBondContact N-O 3.38Å; T467-P520 WeakPolarHBondContact OG1-CD 3.28Å; T467-P520 WeakPolarHBondContact OG1-CG 3.45Å; T467-P520 PolarHBondContact OG1-O 3.22Å; I511-P520 HydrophobicContact CG2-CB 3.99Å; A512-P520 WeakPolarHBondContact O-CA 3.43Å
521	L	91.3	Very high	83.3	Confident	78 Å²	78	72 Å²	72	41%	0.408	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.1	172.9	-174	74.5	0	0	0	109.2	I511 A512 V523	I511-L521 WeakPolarHBondContact CA-O 3.41Å; A512-L521 PolarHBondContact N-O 3.47Å; A512-L521 PolarHBondContact O-N 3.42Å; L521-V523 HydrophobicContact CD2-CG2 4.03Å; L521-V523 HydrophobicContact CG-CG2 4.03Å
522	I	93.9	Very high	83.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.8	-179.5	-58.8	153.8	0	0	0	107.9	L457 G464 V465 T467 L470 L502 L509	L457-I522 HydrophobicContact CD1-CG2 4.3Å; L457-I522 HydrophobicContact CD2-CG2 4.1Å; G464-I522 CarbonylContact C-O 3.53Å; G464-I522 WeakPolarHBondContact CA-O 3.35Å; V465-I522 HydrophobicContact CG1-CB 4.49Å; V465-I522 PolarHBondContact N-O 3.21Å; V465-I522 PolarHBondContact O-N 3.39Å; T467-I522 HydrophobicContact CG2-CD1 4.35Å; L470-I522 HydrophobicContact CD2-CD1 3.71Å; L502-I522 HydrophobicContact CD1-CD1 3.52Å; L502-I522 HydrophobicContact CD1-CG1 4.37Å; L502-I522 HydrophobicContact CD2-CD1 3.89Å; L502-I522 HydrophobicContact CD2-CG1 4.34Å; L502-I522 HydrophobicContact CD2-CG2 3.88Å; L502-I522 HydrophobicContact CG-CD1 4.37Å; L509-I522 HydrophobicContact CD1-CG2 4.11Å
523	V	92.8	Very high	83.5	Confident	38 Å²	38	69.5 Å²	69.5	23%	0.23	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.5	-179.9	-165.7	0	0	0	0	109.5	L509 V510 L521 R525	L509-V523 WeakPolarHBondContact CA-O 3.24Å; V510-V523 PolarHBondContact N-O 3.19Å; V510-V523 PolarHBondContact O-N 2.84Å; L521-V523 HydrophobicContact CD2-CG2 4.03Å; L521-V523 HydrophobicContact CG-CG2 4.03Å; V523-R525 PolarHBondContact O-N 3.47Å
524	P	92.1	Very high	84.2	Confident	15 Å²	15	65.6 Å²	65.6	10%	0.097	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	135.5	165.3	-25.5	35.6	0	0	0	110.9	L457 L534	L457-P524 HydrophobicContact CB-CG 4.01Å; P524-L534 HydrophobicContact CB-CD1 4.02Å
525	R	90.8	Very high	85.2	Confident	104 Å²	104	61.6 Å²	61.6	39%	0.392	34%	0.338	S	S	.	.			trans	-66.8	129.3	171.5	-176.9	176.8	-62	-153.3	2.7	108.8	P507 H508 L509 V510 V523 S527	P507-R525 VanDerWaalsContact O-CZ 3.25Å; P507-R525 PolarHBondContact O-NE 3.37Å; P507-R525 PolarHBondContact O-NH2 2.85Å; H508-R525 WeakPolarHBondContact O-CB 3.4Å; H508-R525 PolarHBondContact O-N 2.88Å; L509-R525 PolarHBondContact O-NH2 3.48Å; V510-R525 HydrophobicContact CG2-CB 4.25Å; V510-R525 HydrophobicContact CG2-CG 4.41Å; V523-R525 PolarHBondContact O-N 3.47Å; R525-S527 PolarHBondContact O-N 3.44Å
526	P	85.9	Confident	86.4	Confident	99 Å²	99	57.1 Å²	57.1	64%	0.643	31%	0.313	S	S	*	.	S	Bend	trans	-78.5	58.6	179	34.4	-36.8	0	0	0	110.4
527	S	88.2	Confident	87.7	Confident	40 Å²	40	52.6 Å²	52.6	28%	0.28	28%	0.281	S	S	.	.	S	Bend	trans	-126.6	143.4	172.3	73.8	0	0	0	0	110	R525 A529 S530 V531	R525-S527 PolarHBondContact O-N 3.44Å; S527-A529 VanDerWaalsContact C-N 3.35Å; S527-A529 PolarHBondContact O-N 2.96Å; S527-S530 PolarHBondContact O-N 3.09Å; S527-S530 WeakPolarHBondContact OG-CB 3.46Å; S527-S530 PolarHBondContact OG-OG 3.24Å; S527-V531 PolarHBondContact O-N 3.22Å
528	T	88.3	Confident	89.1	Confident	39 Å²	39	44.3 Å²	44.3	24%	0.239	25%	0.249	C	C	.	.	H	α-helix	trans	-52	-52.1	-177.5	-45.9	0	0	0	0	111.6	S530 V531 L532 Y743	T528-S530 VanDerWaalsContact C-N 3.26Å; T528-S530 PolarHBondContact O-N 3.02Å; T528-V531 PolarHBondContact O-N 3.17Å; T528-L532 HydrophobicContact CG2-CD1 3.88Å; T528-L532 HydrophobicContact CG2-CG 4.25Å; T528-L532 WeakPolarHBondContact O-CB 3.2Å; T528-L532 VanDerWaalsContact O-CG 3.24Å; T528-L532 WeakPolarHBondContact O-CG 3.4Å; T528-L532 PolarHBondContact O-N 3.22Å; T528-Y743 HydrophobicContact CG2-CD1 4.17Å; T528-Y743 WeakPolarHBondContact OG1-CD1 3.34Å
529	A	88.2	Confident	89.9	Confident	70 Å²	70	37.7 Å²	37.7	58%	0.579	22%	0.222	S	C	*	.	H	α-helix	trans	-57.7	-36.4	178.9	0	0	0	0	0	113.4	S527 H533	S527-A529 VanDerWaalsContact C-N 3.35Å; S527-A529 PolarHBondContact O-N 2.96Å; A529-H533 WeakPolarHBondContact O-CB 3.49Å; A529-H533 PolarHBondContact O-N 2.63Å; A529-H533 VanDerWaalsContact O-N 3.14Å
530	S	89.4	Confident	90.3	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-72.8	-47	-179.4	-56.1	0	0	0	0	112	S527 T528 H533 L534	S527-S530 PolarHBondContact O-N 3.09Å; S527-S530 WeakPolarHBondContact OG-CB 3.46Å; S527-S530 PolarHBondContact OG-OG 3.24Å; T528-S530 VanDerWaalsContact C-N 3.26Å; T528-S530 PolarHBondContact O-N 3.02Å; S530-H533 PolarHBondContact O-N 3.38Å; S530-L534 VanDerWaalsContact O-CG 3.29Å; S530-L534 WeakPolarHBondContact O-CG 3.44Å; S530-L534 PolarHBondContact O-N 2.89Å
531	V	91.3	Very high	90.7	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-37.9	-179.7	177.6	0	0	0	0	111.1	L458 S527 T528 L534 S535 Y743 E744	L458-V531 HydrophobicContact CD2-CG1 4.04Å; S527-V531 PolarHBondContact O-N 3.22Å; T528-V531 PolarHBondContact O-N 3.17Å; V531-L534 PolarHBondContact O-N 3.36Å; V531-S535 VanDerWaalsContact O-CB 3.24Å; V531-S535 WeakPolarHBondContact O-CB 3.49Å; V531-S535 PolarHBondContact O-N 2.76Å; V531-Y743 HydrophobicContact CG2-CD2 4.11Å; V531-E744 HydrophobicContact CG1-CB 4.09Å
532	L	90.6	Very high	90.7	Very high	46 Å²	46	33.4 Å²	33.4	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.2	-72.6	-177.3	0	0	0	112	T528 S535 A536 Y743	T528-L532 HydrophobicContact CG2-CD1 3.88Å; T528-L532 HydrophobicContact CG2-CG 4.25Å; T528-L532 WeakPolarHBondContact O-CB 3.2Å; T528-L532 VanDerWaalsContact O-CG 3.24Å; T528-L532 WeakPolarHBondContact O-CG 3.4Å; T528-L532 PolarHBondContact O-N 3.22Å; L532-S535 PolarHBondContact O-N 3.14Å; L532-A536 PolarHBondContact O-N 2.78Å; L532-Y743 WeakPolarHBondContact CD2-O 3.45Å
533	H	89.7	Confident	90.5	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.069	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-46.6	176.3	-173.7	97.2	0	0	0	111.8	A328 D330 H508 A529 S530 S535 A536 L537	A328-H533 WeakPolarHBondContact CB-CE1 3.41Å; D330-H533 IonicContact OD1-ND1 3.61Å; H508-H533 AromaticContact CD2-CD2 3.45Å; H508-H533 PolarHBondContact CD2-CD2 3.04Å; H508-H533 VanDerWaalsContact CD2-CD2 3.45Å; H508-H533 AromaticContact CD2-CG 3.82Å; H508-H533 AromaticContact CD2-NE2 3.86Å; H508-H533 AromaticContact CE1-CG 3.9Å; H508-H533 AromaticContact NE2-CD2 3.57Å; H508-H533 AromaticContact NE2-CE1 3.82Å; H508-H533 AromaticContact NE2-CG 3.55Å; H508-H533 AromaticContact NE2-ND1 3.73Å; H508-H533 AromaticContact NE2-NE2 3.78Å; A529-H533 WeakPolarHBondContact O-CB 3.49Å; A529-H533 PolarHBondContact O-N 2.63Å; A529-H533 VanDerWaalsContact O-N 3.14Å; S530-H533 PolarHBondContact O-N 3.38Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 2.79Å; H533-A536 PolarHBondContact O-N 3.19Å; H533-L537 PolarHBondContact O-N 3.45Å
534	L	92.5	Very high	90.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-38.8	176	-66.7	174.3	0	0	0	111.6	S454 L458 L505 H508 L509 P524 S530 V531 L537 A538	S454-L534 WeakPolarHBondContact CB-O 3.4Å; S454-L534 VanDerWaalsContact OG-CD2 3.28Å; S454-L534 WeakPolarHBondContact OG-CD2 3.15Å; L458-L534 VanDerWaalsContact CD1-C 3.48Å; L458-L534 HydrophobicContact CD1-CB 3.72Å; L458-L534 HydrophobicContact CD2-CB 4.24Å; L458-L534 HydrophobicContact CD2-CD1 4.41Å; L458-L534 HydrophobicContact CG-CB 4.04Å; L505-L534 HydrophobicContact CD1-CD2 4.23Å; L505-L534 HydrophobicContact CD2-CD2 3.89Å; H508-L534 HydrophobicContact CB-CG 4.47Å; L509-L534 HydrophobicContact CD2-CD1 4.29Å; P524-L534 HydrophobicContact CB-CD1 4.02Å; S530-L534 VanDerWaalsContact O-CG 3.29Å; S530-L534 WeakPolarHBondContact O-CG 3.44Å; S530-L534 PolarHBondContact O-N 2.89Å; V531-L534 PolarHBondContact O-N 3.36Å; L534-L537 PolarHBondContact O-N 3.12Å; L534-A538 VanDerWaalsContact O-CB 3.26Å; L534-A538 WeakPolarHBondContact O-CB 3.41Å; L534-A538 PolarHBondContact O-N 3.12Å
535	S	91.8	Very high	90.5	Very high	13 Å²	13	34.8 Å²	34.8	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-45.6	179.8	-176.5	0	0	0	0	111.2	V531 L532 H533 L537 A538 Q539	V531-S535 VanDerWaalsContact O-CB 3.24Å; V531-S535 WeakPolarHBondContact O-CB 3.49Å; V531-S535 PolarHBondContact O-N 2.76Å; L532-S535 PolarHBondContact O-N 3.14Å; H533-S535 VanDerWaalsContact C-N 3.3Å; H533-S535 PolarHBondContact O-N 2.79Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.16Å; S535-A538 PolarHBondContact O-N 2.82Å; S535-A538 VanDerWaalsContact O-N 3.07Å; S535-Q539 WeakPolarHBondContact O-CG 3.45Å; S535-Q539 PolarHBondContact O-N 3.06Å
536	A	89.1	Confident	90.7	Very high	47 Å²	47	30.3 Å²	30.3	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-59	-39.5	176.3	0	0	0	0	0	112.4	L532 H533	L532-A536 PolarHBondContact O-N 2.78Å; H533-A536 PolarHBondContact O-N 3.19Å
537	L	91.6	Very high	91.1	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-70.1	-37.9	174.2	-67.9	175.1	0	0	0	112.2	S451 L505 H533 L534 S535	S451-L537 WeakPolarHBondContact CB-O 3.38Å; S451-L537 PolarHBondContact OG-O 2.9Å; L505-L537 HydrophobicContact CD2-CD1 3.71Å; H533-L537 PolarHBondContact O-N 3.45Å; L534-L537 PolarHBondContact O-N 3.12Å; S535-L537 VanDerWaalsContact C-N 3.29Å; S535-L537 PolarHBondContact O-N 3.16Å
538	A	92.9	Very high	91.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.8	-31.2	-178.2	0	0	0	0	0	113.3	S455 L458 Y459 L534 S535 K540 V541 T542	S455-A538 VanDerWaalsContact OG-CA 3.25Å; S455-A538 WeakPolarHBondContact OG-CA 3.4Å; S455-A538 WeakPolarHBondContact OG-CB 3.5Å; S455-A538 PolarHBondContact OG-O 3.46Å; L458-A538 HydrophobicContact CD1-CB 4.11Å; Y459-A538 HydrophobicContact CE2-CB 3.88Å; L534-A538 VanDerWaalsContact O-CB 3.26Å; L534-A538 WeakPolarHBondContact O-CB 3.41Å; L534-A538 PolarHBondContact O-N 3.12Å; S535-A538 PolarHBondContact O-N 2.82Å; S535-A538 VanDerWaalsContact O-N 3.07Å; A538-K540 PolarHBondContact O-N 2.9Å; A538-K540 VanDerWaalsContact O-N 3.12Å; A538-V541 WeakPolarHBondContact O-CB 3.46Å; A538-V541 PolarHBondContact O-N 3.42Å; A538-T542 PolarHBondContact O-N 2.73Å
539	Q	89.3	Confident	91.9	Very high	83 Å²	83	24.5 Å²	24.5	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-55.5	-29.2	176.8	-78.8	175.6	-5.2	0	0	113.3	S535 V541 T542 H543	S535-Q539 WeakPolarHBondContact O-CG 3.45Å; S535-Q539 PolarHBondContact O-N 3.06Å; Q539-V541 VanDerWaalsContact C-N 3.26Å; Q539-V541 PolarHBondContact O-N 2.83Å; Q539-T542 WeakPolarHBondContact O-CB 3.38Å; Q539-T542 PolarHBondContact O-N 3.07Å; Q539-H543 PolarHBondContact O-CD2 3.16Å; Q539-H543 PolarHBondContact O-N 3.15Å; Q539-H543 VanDerWaalsContact O-N 3.12Å
540	K	90.3	Very high	92.3	Very high	52 Å²	52	21.2 Å²	21.2	23%	0.226	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-35.2	175.4	-56.8	-57	-175.5	-177.1	0	112.3	Q207 A538	Q207-K540 VanDerWaalsContact CD-NZ 3.3Å; A538-K540 PolarHBondContact O-N 2.9Å; A538-K540 VanDerWaalsContact O-N 3.12Å
541	V	93.9	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-74.3	-41.9	173.9	-179.5	0	0	0	0	109.9	V447 L452 S455 L477 A538 Q539 H543 T544 F545 M697	V447-V541 HydrophobicContact CG1-CG2 3.75Å; L452-V541 HydrophobicContact CD2-CG2 4.1Å; S455-V541 VanDerWaalsContact OG-CB 3.28Å; S455-V541 WeakPolarHBondContact OG-CB 3.46Å; S455-V541 WeakPolarHBondContact OG-CG2 3.34Å; L477-V541 HydrophobicContact CD1-CG1 4.3Å; L477-V541 HydrophobicContact CD2-CG1 4.43Å; A538-V541 WeakPolarHBondContact O-CB 3.46Å; A538-V541 PolarHBondContact O-N 3.42Å; Q539-V541 VanDerWaalsContact C-N 3.26Å; Q539-V541 PolarHBondContact O-N 2.83Å; V541-H543 VanDerWaalsContact C-N 3.27Å; V541-H543 PolarHBondContact O-N 3.28Å; V541-T544 WeakPolarHBondContact O-CA 3.23Å; V541-T544 VanDerWaalsContact O-CB 3.28Å; V541-T544 WeakPolarHBondContact O-CB 3.49Å; V541-T544 PolarHBondContact O-N 2.9Å; V541-F545 HydrophobicContact CG1-CD2 3.7Å; V541-F545 HydrophobicContact CG1-CE2 3.69Å; V541-F545 WeakPolarHBondContact O-CD2 3.36Å; V541-F545 PolarHBondContact O-N 3.48Å; V541-M697 HydrophobicContact CG1-CE 4.44Å
542	T	92.3	Very high	92.7	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-53.9	-41.3	178.3	-55.4	0	0	0	0	112.8	Y459 A538 Q539 T544 F545 I546 M697 L698	Y459-T542 PolarHBondContact OH-OG1 2.97Å; A538-T542 PolarHBondContact O-N 2.73Å; Q539-T542 WeakPolarHBondContact O-CB 3.38Å; Q539-T542 PolarHBondContact O-N 3.07Å; T542-T544 PolarHBondContact O-N 3.1Å; T542-F545 CarbonylContact O-C 3.58Å; T542-F545 PolarHBondContact O-N 3.38Å; T542-F545 VanDerWaalsContact O-N 3.16Å; T542-I546 PolarHBondContact O-N 3.44Å; T542-I546 VanDerWaalsContact O-N 3.12Å; T542-M697 HydrophobicContact CG2-CB 3.84Å; T542-L698 HydrophobicContact CG2-CD2 4.5Å
543	H	89.3	Confident	93	Very high	66 Å²	66	18.2 Å²	18.2	31%	0.306	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27	174.9	-87.3	-76.8	0	0	0	114	Q539 V541	Q539-H543 PolarHBondContact O-CD2 3.16Å; Q539-H543 PolarHBondContact O-N 3.15Å; Q539-H543 VanDerWaalsContact O-N 3.12Å; V541-H543 VanDerWaalsContact C-N 3.27Å; V541-H543 PolarHBondContact O-N 3.28Å
544	T	91.7	Very high	93.2	Very high	16 Å²	16	17.5 Å²	17.5	10%	0.098	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-37	177.5	-58.5	0	0	0	0	112.3	L481 R484 R486 V541 T542	L481-T544 HydrophobicContact CD2-CG2 3.48Å; L481-T544 VanDerWaalsContact CD2-CG2 3.48Å; R484-T544 HydrophobicContact CB-CG2 4.01Å; R486-T544 HydrophobicContact CB-CG2 4.27Å; R486-T544 HydrophobicContact CG-CG2 3.32Å; V541-T544 WeakPolarHBondContact O-CA 3.23Å; V541-T544 VanDerWaalsContact O-CB 3.28Å; V541-T544 WeakPolarHBondContact O-CB 3.49Å; V541-T544 PolarHBondContact O-N 2.9Å; T542-T544 PolarHBondContact O-N 3.1Å
545	F	94.2	Very high	93.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-101.6	20.9	-175.1	-69.8	-93	0	0	0	112.6	L477 E480 L481 V541 T542 L547 E548 A549 M690 L694 M697	L477-F545 HydrophobicContact CD1-CE2 3.79Å; L477-F545 HydrophobicContact CD1-CZ 3.71Å; E480-F545 HydrophobicContact CB-CE1 4.01Å; E480-F545 HydrophobicContact CB-CZ 3.69Å; L481-F545 HydrophobicContact CD2-CD2 4.37Å; L481-F545 HydrophobicContact CD2-CE2 3.55Å; L481-F545 HydrophobicContact CD2-CZ 4.27Å; L481-F545 HydrophobicContact CG-CE2 4.13Å; L481-F545 HydrophobicContact CG-CZ 4.49Å; V541-F545 HydrophobicContact CG1-CD2 3.7Å; V541-F545 HydrophobicContact CG1-CE2 3.69Å; V541-F545 WeakPolarHBondContact O-CD2 3.36Å; V541-F545 PolarHBondContact O-N 3.48Å; T542-F545 CarbonylContact O-C 3.58Å; T542-F545 PolarHBondContact O-N 3.38Å; T542-F545 VanDerWaalsContact O-N 3.16Å; F545-L547 VanDerWaalsContact C-N 3.34Å; F545-L547 PolarHBondContact O-N 2.84Å; F545-E548 VanDerWaalsContact C-OE2 3.32Å; F545-E548 WeakPolarHBondContact CA-OE2 3.45Å; F545-E548 PolarHBondContact O-N 3.45Å; F545-A549 VanDerWaalsContact O-CB 3.27Å; F545-A549 WeakPolarHBondContact O-CB 3.35Å; F545-A549 PolarHBondContact O-N 3.28Å; F545-M690 HydrophobicContact CE1-CE 4.35Å; F545-L694 HydrophobicContact CB-CD2 4.08Å; F545-L694 HydrophobicContact CD1-CD2 4.03Å; F545-L694 HydrophobicContact CG-CD2 4.41Å; F545-M697 HydrophobicContact CB-CE 4Å; F545-M697 HydrophobicContact CB-SD 3.67Å; F545-M697 HydrophobicContact CD2-CE 4.1Å; F545-M697 HydrophobicContact CG-CE 4.03Å; F545-M697 HydrophobicContact CG-SD 4.34Å
546	I	94.6	Very high	93.1	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.056	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-40.7	-171	-176.7	73.7	0	0	0	112.4	T542 E548 A549 V550 L607 I611 F621 L698	T542-I546 PolarHBondContact O-N 3.44Å; T542-I546 VanDerWaalsContact O-N 3.12Å; I546-E548 VanDerWaalsContact C-N 3.33Å; I546-E548 PolarHBondContact O-N 3.47Å; I546-A549 PolarHBondContact O-N 3.47Å; I546-V550 HydrophobicContact CD1-CG2 4.15Å; I546-V550 HydrophobicContact CG1-CG2 4.17Å; I546-V550 WeakPolarHBondContact O-CB 3.2Å; I546-V550 VanDerWaalsContact O-CG2 3.28Å; I546-V550 WeakPolarHBondContact O-CG2 3.36Å; I546-V550 PolarHBondContact O-N 3.43Å; I546-L607 HydrophobicContact CD1-CD1 4.39Å; I546-L607 HydrophobicContact CD1-CD2 4.07Å; I546-L607 HydrophobicContact CG1-CD1 4.44Å; I546-I611 HydrophobicContact CB-CG2 4.12Å; I546-I611 HydrophobicContact CD1-CD1 4.43Å; I546-I611 HydrophobicContact CD1-CG2 3.52Å; I546-I611 HydrophobicContact CG1-CG2 3.31Å; I546-I611 HydrophobicContact CG2-CG2 4.34Å; I546-F621 HydrophobicContact CG1-CZ 4.11Å; I546-F621 HydrophobicContact CG2-CZ 4.09Å; I546-L698 HydrophobicContact CD1-CD2 3.9Å
547	L	95	Very high	93.2	Very high	39 Å²	39	15 Å²	15	20%	0.204	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-49	179.1	-73.3	170.9	0	0	0	109.9	F545 A549 V550 G551 F621 D624 A625	F545-L547 VanDerWaalsContact C-N 3.34Å; F545-L547 PolarHBondContact O-N 2.84Å; L547-A549 PolarHBondContact O-N 2.96Å; L547-V550 PolarHBondContact O-N 3.38Å; L547-G551 PolarHBondContact O-N 2.9Å; L547-F621 HydrophobicContact CD2-CD1 4.04Å; L547-F621 HydrophobicContact CD2-CD2 3.75Å; L547-F621 HydrophobicContact CD2-CE1 3.81Å; L547-F621 HydrophobicContact CD2-CE2 3.5Å; L547-F621 HydrophobicContact CD2-CG 4.03Å; L547-F621 HydrophobicContact CD2-CZ 3.54Å; L547-F621 HydrophobicContact CG-CE2 4.23Å; L547-F621 HydrophobicContact CG-CZ 4.22Å; L547-D624 HydrophobicContact CD1-CB 4.42Å; L547-D624 HydrophobicContact CD2-CB 3.89Å; L547-A625 HydrophobicContact CD2-CB 4.28Å; L547-A625 VanDerWaalsContact O-CB 3.25Å; L547-A625 WeakPolarHBondContact O-CB 3.44Å
548	E	95.3	Very high	93.1	Very high	17 Å²	17	15 Å²	15	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-66.1	-38.2	178.9	-62.9	84.9	164.1	0	0	111.9	R484 F545 I546 G551 A552 S628 L629 L694	R484-E548 IonicContact CZ-OE1 2.83Å; R484-E548 VanDerWaalsContact CZ-OE1 3.24Å; R484-E548 IonicContact NE-OE1 3.77Å; R484-E548 PolarHBondContact NE-OE1 3.1Å; R484-E548 IonicContact NE-OE2 3.83Å; R484-E548 IonicContact NH2-OE1 2.87Å; R484-E548 PolarHBondContact NH2-OE1 2.99Å; F545-E548 VanDerWaalsContact C-OE2 3.32Å; F545-E548 WeakPolarHBondContact CA-OE2 3.45Å; F545-E548 PolarHBondContact O-N 3.45Å; I546-E548 VanDerWaalsContact C-N 3.33Å; I546-E548 PolarHBondContact O-N 3.47Å; E548-G551 PolarHBondContact O-N 2.82Å; E548-A552 WeakPolarHBondContact O-CB 3.5Å; E548-A552 PolarHBondContact O-N 3.01Å; E548-S628 WeakPolarHBondContact CA-OG 3.34Å; E548-S628 PolarHBondContact N-OG 3.15Å; E548-L629 HydrophobicContact CB-CD2 4.39Å; E548-L694 HydrophobicContact CB-CD1 3.82Å; E548-L694 HydrophobicContact CB-CD2 3.65Å; E548-L694 HydrophobicContact CB-CG 4.33Å
549	A	96	Very high	92.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.9	-40.4	177.8	0	0	0	0	0	112	F545 I546 L547 A552 C553 M697 L698	F545-A549 VanDerWaalsContact O-CB 3.27Å; F545-A549 WeakPolarHBondContact O-CB 3.35Å; F545-A549 PolarHBondContact O-N 3.28Å; I546-A549 PolarHBondContact O-N 3.47Å; L547-A549 PolarHBondContact O-N 2.96Å; A549-A552 PolarHBondContact O-N 2.93Å; A549-C553 WeakPolarHBondContact O-CB 3.24Å; A549-C553 PolarHBondContact O-N 3.36Å; A549-M697 HydrophobicContact CB-CB 4.26Å; A549-L698 HydrophobicContact CB-CD1 4.05Å; A549-L698 HydrophobicContact CB-CG 4.06Å
550	V	97	Very high	92.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-49	174.6	168.8	0	0	0	0	110.4	I546 L547 A552 C553 A554 A600 L603 L607 F621 A625 L698	I546-V550 HydrophobicContact CD1-CG2 4.15Å; I546-V550 HydrophobicContact CG1-CG2 4.17Å; I546-V550 WeakPolarHBondContact O-CB 3.2Å; I546-V550 VanDerWaalsContact O-CG2 3.28Å; I546-V550 WeakPolarHBondContact O-CG2 3.36Å; I546-V550 PolarHBondContact O-N 3.43Å; L547-V550 PolarHBondContact O-N 3.38Å; V550-A552 VanDerWaalsContact C-N 3.33Å; V550-A552 PolarHBondContact O-N 3.36Å; V550-C553 PolarHBondContact O-N 3.23Å; V550-A554 WeakPolarHBondContact O-CB 3.44Å; V550-A554 PolarHBondContact O-N 3.06Å; V550-A600 HydrophobicContact CG1-CB 4.15Å; V550-L603 HydrophobicContact CB-CD2 4.39Å; V550-L603 HydrophobicContact CG1-CD2 4.16Å; V550-L603 HydrophobicContact CG1-CG 4.48Å; V550-L603 HydrophobicContact CG2-CD2 4.46Å; V550-L607 HydrophobicContact CG2-CD1 3.87Å; V550-L607 HydrophobicContact CG2-CD2 4.07Å; V550-L607 HydrophobicContact CG2-CG 4.47Å; V550-F621 HydrophobicContact CG2-CE1 4.32Å; V550-A625 HydrophobicContact CB-CB 4.24Å; V550-A625 HydrophobicContact CG1-CB 4.06Å; V550-L698 HydrophobicContact CG2-CD1 4.04Å
551	G	95.7	Very high	91.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-45.6	176.1	0	0	0	0	0	111.7	L547 E548 C553 A554 V555	L547-G551 PolarHBondContact O-N 2.9Å; E548-G551 PolarHBondContact O-N 2.82Å; G551-C553 PolarHBondContact O-N 3.39Å; G551-A554 WeakPolarHBondContact O-CB 3.4Å; G551-A554 PolarHBondContact O-N 2.85Å; G551-A554 VanDerWaalsContact O-N 3.14Å; G551-V555 WeakPolarHBondContact O-CG2 3.45Å; G551-V555 PolarHBondContact O-N 3.45Å
552	A	95	Very high	90.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-43.2	-179.3	0	0	0	0	0	111.9	E548 A549 V550 A554 V555 S556 L629 L691 L694 C695	E548-A552 WeakPolarHBondContact O-CB 3.5Å; E548-A552 PolarHBondContact O-N 3.01Å; A549-A552 PolarHBondContact O-N 2.93Å; V550-A552 VanDerWaalsContact C-N 3.33Å; V550-A552 PolarHBondContact O-N 3.36Å; A552-A554 VanDerWaalsContact C-N 3.32Å; A552-A554 PolarHBondContact O-N 3.25Å; A552-V555 PolarHBondContact O-N 3.01Å; A552-S556 PolarHBondContact O-N 3.19Å; A552-L629 HydrophobicContact CB-CD2 4.43Å; A552-L691 HydrophobicContact CB-CD1 3.66Å; A552-L694 HydrophobicContact CB-CB 3.56Å; A552-L694 HydrophobicContact CB-CD1 4.27Å; A552-C695 PolarHBondContact O-SG 3.02Å; A552-C695 VanDerWaalsContact O-SG 3.33Å
553	C	95.6	Very high	89.8	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-35.7	173.3	-80.2	0	0	0	0	112.4	A549 V550 G551 S556 A557 L603 Y797	A549-C553 WeakPolarHBondContact O-CB 3.24Å; A549-C553 PolarHBondContact O-N 3.36Å; V550-C553 PolarHBondContact O-N 3.23Å; G551-C553 PolarHBondContact O-N 3.39Å; C553-S556 WeakPolarHBondContact O-CB 3.45Å; C553-S556 PolarHBondContact O-N 3.35Å; C553-A557 PolarHBondContact O-N 2.66Å; C553-L603 HydrophobicContact CB-CD2 3.36Å; C553-Y797 HydrophobicContact CB-CD1 4.42Å; C553-Y797 PolarHBondContact SG-O 3.31Å
554	A	94.9	Very high	88.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-42.9	174.7	0	0	0	0	0	112	V550 G551 A552 S556 A557 M558 L596 K599 A600	V550-A554 WeakPolarHBondContact O-CB 3.44Å; V550-A554 PolarHBondContact O-N 3.06Å; G551-A554 WeakPolarHBondContact O-CB 3.4Å; G551-A554 PolarHBondContact O-N 2.85Å; G551-A554 VanDerWaalsContact O-N 3.14Å; A552-A554 VanDerWaalsContact C-N 3.32Å; A552-A554 PolarHBondContact O-N 3.25Å; A554-S556 VanDerWaalsContact C-N 3.32Å; A554-S556 PolarHBondContact O-N 3.13Å; A554-A557 WeakPolarHBondContact O-CB 3.43Å; A554-A557 PolarHBondContact O-N 3.49Å; A554-M558 PolarHBondContact O-N 2.84Å; A554-M558 VanDerWaalsContact O-N 3.1Å; A554-L596 HydrophobicContact CB-CD1 3.84Å; A554-K599 HydrophobicContact CB-CB 3.96Å; A554-A600 HydrophobicContact CB-CB 3.96Å
555	V	92.3	Very high	86.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-45.2	170.9	172.7	0	0	0	0	110.5	G551 A552 A557 M558 L559 L591 L596 L629 L635 I681 L691	G551-V555 WeakPolarHBondContact O-CG2 3.45Å; G551-V555 PolarHBondContact O-N 3.45Å; A552-V555 PolarHBondContact O-N 3.01Å; V555-A557 VanDerWaalsContact C-N 3.27Å; V555-A557 PolarHBondContact O-N 2.75Å; V555-M558 PolarHBondContact O-N 2.88Å; V555-L559 HydrophobicContact CG1-CD1 4.02Å; V555-L559 HydrophobicContact CG1-CG 4.33Å; V555-L559 WeakPolarHBondContact O-CG 3.42Å; V555-L559 PolarHBondContact O-N 2.93Å; V555-L591 HydrophobicContact CG1-CD1 4.04Å; V555-L591 HydrophobicContact CG2-CD1 4.18Å; V555-L596 HydrophobicContact CG2-CD1 3.78Å; V555-L596 HydrophobicContact CG2-CD2 4.4Å; V555-L629 HydrophobicContact CG2-CD1 3.7Å; V555-L635 HydrophobicContact CG2-CD1 4.38Å; V555-L635 HydrophobicContact CG2-CD2 4.18Å; V555-I681 HydrophobicContact CG1-CD1 3.74Å; V555-I681 HydrophobicContact CG1-CG1 4.27Å; V555-L691 HydrophobicContact CB-CD1 4.39Å; V555-L691 HydrophobicContact CG1-CD1 4.36Å; V555-L691 HydrophobicContact CG1-CD2 4.35Å
556	S	90.3	Very high	84.8	Confident	8 Å²	8	31.2 Å²	31.2	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-38.5	176.3	-169.4	0	0	0	0	112.2	A552 C553 A554 L559 C560	A552-S556 PolarHBondContact O-N 3.19Å; C553-S556 WeakPolarHBondContact O-CB 3.45Å; C553-S556 PolarHBondContact O-N 3.35Å; A554-S556 VanDerWaalsContact C-N 3.32Å; A554-S556 PolarHBondContact O-N 3.13Å; S556-L559 PolarHBondContact O-N 3.27Å; S556-C560 PolarHBondContact O-N 3.18Å; S556-C560 PolarHBondContact O-SG 3.48Å
557	A	91.1	Very high	82.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-46.7	177	0	0	0	0	0	112.4	C553 A554 V555 L559 C560 E561 K599 Q796 Y797	C553-A557 PolarHBondContact O-N 2.66Å; A554-A557 WeakPolarHBondContact O-CB 3.43Å; A554-A557 PolarHBondContact O-N 3.49Å; V555-A557 VanDerWaalsContact C-N 3.27Å; V555-A557 PolarHBondContact O-N 2.75Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 2.68Å; A557-C560 WeakPolarHBondContact O-CB 3.31Å; A557-C560 PolarHBondContact O-N 2.91Å; A557-E561 PolarHBondContact O-N 2.78Å; A557-K599 HydrophobicContact CB-CD 4.42Å; A557-Q796 WeakPolarHBondContact CA-O 3.23Å; A557-Q796 HydrophobicContact CB-CB 4.21Å; A557-Q796 HydrophobicContact CB-CG 3.79Å; A557-Q796 PolarHBondContact N-O 2.99Å; A557-Y797 HydrophobicContact CB-CD1 3.68Å; A557-Y797 HydrophobicContact CB-CE1 3.69Å; A557-Y797 HydrophobicContact CB-CG 4.36Å
558	M	88.7	Confident	79.9	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-41.7	176	-66.7	-174.5	74.9	0	0	111.8	A554 V555 C560 E561 V562 L591 E595 L596 K599	A554-M558 PolarHBondContact O-N 2.84Å; A554-M558 VanDerWaalsContact O-N 3.1Å; V555-M558 PolarHBondContact O-N 2.88Å; M558-C560 VanDerWaalsContact C-N 3.33Å; M558-C560 PolarHBondContact O-N 2.73Å; M558-E561 PolarHBondContact O-N 2.8Å; M558-V562 WeakPolarHBondContact O-CG2 3.43Å; M558-V562 PolarHBondContact O-N 2.81Å; M558-V562 VanDerWaalsContact O-N 3.07Å; M558-L591 HydrophobicContact CB-CD2 3.91Å; M558-L591 HydrophobicContact CE-CB 4.05Å; M558-L591 HydrophobicContact CE-CD2 3.88Å; M558-L591 HydrophobicContact SD-CB 4.17Å; M558-L591 HydrophobicContact SD-CD2 3.99Å; M558-E595 HydrophobicContact CE-CB 3.82Å; M558-E595 WeakPolarHBondContact CE-OE2 3.3Å; M558-L596 VanDerWaalsContact SD-CA 3.58Å; M558-L596 HydrophobicContact SD-CB 3.62Å; M558-L596 HydrophobicContact SD-CD1 3.68Å; M558-L596 HydrophobicContact SD-CG 4.21Å; M558-K599 HydrophobicContact CG-CG 4.17Å
559	L	84.7	Confident	77.2	Confident	33 Å²	33	41.6 Å²	41.6	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-39.9	176.5	-69.9	175.5	0	0	0	112.2	V555 S556 A557 E561 V562 V563 V589 I681	V555-L559 HydrophobicContact CG1-CD1 4.02Å; V555-L559 HydrophobicContact CG1-CG 4.33Å; V555-L559 WeakPolarHBondContact O-CG 3.42Å; V555-L559 PolarHBondContact O-N 2.93Å; S556-L559 PolarHBondContact O-N 3.27Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 2.68Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 PolarHBondContact O-N 2.93Å; L559-V562 PolarHBondContact O-N 3.28Å; L559-V563 WeakPolarHBondContact O-CG2 3.44Å; L559-V563 PolarHBondContact O-N 2.87Å; L559-V589 HydrophobicContact CD2-CB 4.27Å; L559-V589 HydrophobicContact CD2-CG1 4.23Å; L559-V589 HydrophobicContact CD2-CG2 4.22Å; L559-I681 HydrophobicContact CD1-CD1 3.83Å; L559-I681 HydrophobicContact CD2-CD1 4.09Å; L559-I681 HydrophobicContact CG-CD1 4.33Å
560	C	81.3	Confident	74.3	Confident	43 Å²	43	51.9 Å²	51.9	29%	0.291	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-41.3	174.3	-74.9	0	0	0	0	111.7	S556 A557 M558 V563 L564	S556-C560 PolarHBondContact O-N 3.18Å; S556-C560 PolarHBondContact O-SG 3.48Å; A557-C560 WeakPolarHBondContact O-CB 3.31Å; A557-C560 PolarHBondContact O-N 2.91Å; M558-C560 VanDerWaalsContact C-N 3.33Å; M558-C560 PolarHBondContact O-N 2.73Å; C560-V563 PolarHBondContact O-N 3.38Å; C560-L564 WeakPolarHBondContact O-CB 3.41Å; C560-L564 WeakPolarHBondContact O-CG 3.1Å; C560-L564 PolarHBondContact O-N 3.26Å
561	E	78.5	Confident	71.4	Confident	85 Å²	85	58.1 Å²	58.1	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-40.2	177.5	-70	179.5	155	0	0	112.6	A557 M558 L559 V563 L564 S565 K599	A557-E561 PolarHBondContact O-N 2.78Å; M558-E561 PolarHBondContact O-N 2.8Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 PolarHBondContact O-N 2.93Å; E561-V563 VanDerWaalsContact C-N 3.34Å; E561-V563 PolarHBondContact O-N 3.12Å; E561-L564 PolarHBondContact O-N 3.25Å; E561-S565 WeakPolarHBondContact O-CB 3.22Å; E561-S565 PolarHBondContact O-N 3.49Å; E561-S565 PolarHBondContact O-OG 3.45Å; E561-K599 WeakPolarHBondContact OE1-CE 3.25Å; E561-K599 IonicContact OE1-NZ 2.61Å; E561-K599 PolarHBondContact OE1-NZ 3.03Å; E561-K599 WeakPolarHBondContact OE2-CE 3.49Å; E561-K599 IonicContact OE2-NZ 2.85Å
562	V	75.5	Confident	68.7	Low	43 Å²	43	68.2 Å²	68.2	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-39.1	176	175.4	0	0	0	0	111.6	M558 L559 S565 V589	M558-V562 WeakPolarHBondContact O-CG2 3.43Å; M558-V562 PolarHBondContact O-N 2.81Å; M558-V562 VanDerWaalsContact O-N 3.07Å; L559-V562 PolarHBondContact O-N 3.28Å; V562-S565 WeakPolarHBondContact CA-OG 3.28Å; V562-S565 PolarHBondContact O-OG 3.32Å; V562-S565 VanDerWaalsContact O-OG 3.05Å; V562-V589 HydrophobicContact CG1-CG2 4.48Å; V562-V589 HydrophobicContact CG2-CG1 4.04Å
563	V	70.1	Confident	65.9	Low	112 Å²	112	73.4 Å²	73.4	68%	0.679	41%	0.405	S	S	*	.	H	α-helix	trans	-67.3	-42.9	175.8	173.1	0	0	0	0	111	L559 C560 E561 G566	L559-V563 WeakPolarHBondContact O-CG2 3.44Å; L559-V563 PolarHBondContact O-N 2.87Å; C560-V563 PolarHBondContact O-N 3.38Å; E561-V563 VanDerWaalsContact C-N 3.34Å; E561-V563 PolarHBondContact O-N 3.12Å; V563-G566 PolarHBondContact O-N 3.16Å
564	L	61.1	Low	63	Low	153 Å²	153	81.5 Å²	81.5	80%	0.801	45%	0.448	S	S	*	.	H	α-helix	trans	-70.7	-29.5	-179.4	-70.9	169.6	0	0	0	113.3	C560 E561 G566	C560-L564 WeakPolarHBondContact O-CB 3.41Å; C560-L564 WeakPolarHBondContact O-CG 3.1Å; C560-L564 PolarHBondContact O-N 3.26Å; E561-L564 PolarHBondContact O-N 3.25Å; L564-G566 VanDerWaalsContact C-N 3.29Å; L564-G566 PolarHBondContact O-N 2.98Å
565	S	58.7	Low	60.2	Low	71 Å²	71	84.7 Å²	84.7	50%	0.497	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.4	177.4	55.4	0	0	0	0	114.1	E561 V562 I567	E561-S565 WeakPolarHBondContact O-CB 3.22Å; E561-S565 PolarHBondContact O-N 3.49Å; E561-S565 PolarHBondContact O-OG 3.45Å; V562-S565 WeakPolarHBondContact CA-OG 3.28Å; V562-S565 PolarHBondContact O-OG 3.32Å; V562-S565 VanDerWaalsContact O-OG 3.05Å; S565-I567 PolarHBondContact O-N 3.19Å
566	G	49.1	Very low	57.5	Low	31 Å²	31	91.8 Å²	91.8	32%	0.32	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	8.7	172.1	0	0	0	0	0	115.4	V563 L564 S568 S569	V563-G566 PolarHBondContact O-N 3.16Å; L564-G566 VanDerWaalsContact C-N 3.29Å; L564-G566 PolarHBondContact O-N 2.98Å; G566-S568 PolarHBondContact O-N 2.81Å; G566-S569 PolarHBondContact O-N 3.06Å; G566-S569 PolarHBondContact O-OG 3.24Å
567	I	46.2	Very low	54.9	Low	99 Å²	99	100.7 Å²	100.7	51%	0.508	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-64.9	-28.5	-175.2	-60.8	171.1	0	0	0	111.8	S565 S569 R570	S565-I567 PolarHBondContact O-N 3.19Å; I567-S569 PolarHBondContact O-N 3.28Å; I567-S569 VanDerWaalsContact O-N 3.16Å; I567-R570 PolarHBondContact O-N 3.45Å
568	S	41.5	Very low	52.3	Low	96 Å²	96	104.1 Å²	104.1	67%	0.671	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-61.8	-21.9	174.2	-177.3	0	0	0	0	113.6	G566	G566-S568 PolarHBondContact O-N 2.81Å
569	S	37	Very low	49.5	Very low	91 Å²	91	112.6 Å²	112.6	64%	0.636	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-84.8	-12.8	179	70.4	0	0	0	0	114.7	G566 I567	G566-S569 PolarHBondContact O-N 3.06Å; G566-S569 PolarHBondContact O-OG 3.24Å; I567-S569 PolarHBondContact O-N 3.28Å; I567-S569 VanDerWaalsContact O-N 3.16Å
570	R	36.7	Very low	47.2	Very low	216 Å²	216	120.3 Å²	120.3	82%	0.815	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-12.4	-173.5	-72.7	-172.2	-178.6	179.7	2.1	115.3	I567 R572	I567-R570 PolarHBondContact O-N 3.45Å; R570-R572 PolarHBondContact O-N 3.49Å
571	V	36.4	Very low	44.8	Very low	130 Å²	130	123.7 Å²	123.7	79%	0.788	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-2.4	177.3	-178	0	0	0	0	112.3
572	R	37.2	Very low	42.8	Very low	213 Å²	213	129.6 Å²	129.6	80%	0.804	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	27.2	-174.5	-120.8	-173.6	-152.9	162.2	7.1	116.3	R570	R570-R572 PolarHBondContact O-N 3.49Å
573	S	36.3	Very low	40.9	Very low	109 Å²	109	130 Å²	130	76%	0.762	73%	0.732	S	S	*	*			trans	-130.9	62	171.3	-168	0	0	0	0	111.6
574	D	36.3	Very low	39.2	Very low	169 Å²	169	132.1 Å²	132.1	90%	0.904	74%	0.739	S	S	*	*	S	Bend	trans	-152	108.4	142.4	-130.7	-0	0	0	0	110.1
575	G	35.6	Very low	38.2	Very low	68 Å²	68	132.4 Å²	132.4	70%	0.701	74%	0.738	S	S	*	*	S	Bend	trans	113.8	102.4	163.6	0	0	0	0	0	117.9
576	V	34.8	Very low	37.7	Very low	148 Å²	148	136.4 Å²	136.4	90%	0.897	75%	0.749	S	S	*	*			trans	85.1	109.3	149.6	-161	0	0	0	0	118
577	E	35.8	Very low	37.9	Very low	196 Å²	196	140 Å²	140	92%	0.916	76%	0.756	S	S	*	*			trans	-68.7	132.7	166.9	-69.3	-177.6	150	0	0	111.5
578	G	37.5	Very low	38.6	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	76%	0.759	S	S	*	*			trans	104.4	81.4	157.2	0	0	0	0	0	115.7
579	E	29.2	Very low	40	Very low	187 Å²	187	137.3 Å²	137.3	87%	0.874	74%	0.736	S	S	*	*			trans	-162.1	138	142.3	-112.1	177.6	-170.4	0	0	109.9	V581	E579-V581 PolarHBondContact O-N 3.12Å
580	E	36.5	Very low	42.1	Very low	195 Å²	195	136.8 Å²	136.8	91%	0.911	73%	0.729	S	S	*	*			trans	-62.9	103	177.4	-71.6	-176.4	155.2	0	0	110.2	K582	E580-K582 PolarHBondContact O-N 2.87Å
581	V	31	Very low	44.4	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	69%	0.69	S	S	*	*			trans	-71.5	98.6	179	-176.4	0	0	0	0	110.1	E579	E579-V581 PolarHBondContact O-N 3.12Å
582	K	36.5	Very low	46.7	Very low	208 Å²	208	121.4 Å²	121.4	90%	0.904	66%	0.664	S	S	*	*			trans	-104.5	108.3	163.3	-158.4	-176.1	-168.1	179.8	0	107.8	E580	E580-K582 PolarHBondContact O-N 2.87Å
583	G	34.8	Very low	49.2	Very low	53 Å²	53	113.1 Å²	113.1	55%	0.546	63%	0.634	S	S	.	*	S	Bend	trans	138.3	118.5	167.4	0	0	0	0	0	113.9
584	D	35	Very low	51.6	Low	156 Å²	156	111.7 Å²	111.7	83%	0.834	62%	0.624	S	S	*	*			trans	51.8	107	154.7	-55.3	-16.9	0	0	0	118.2	E586	D584-E586 PolarHBondContact O-N 3.41Å
585	M	39.2	Very low	54	Low	158 Å²	158	108.6 Å²	108.6	78%	0.778	60%	0.604	S	S	*	*			trans	-65.9	102.5	161.7	-66.6	-176.2	91.9	0	0	107.8	F587	M585-F587 PolarHBondContact O-N 3.42Å; M585-F587 VanDerWaalsContact O-N 3.17Å
586	E	48	Very low	56.6	Low	156 Å²	156	105.3 Å²	105.3	73%	0.729	57%	0.571	S	S	*	*			trans	-65.9	110.9	167.7	-77.7	-178.8	156.3	0	0	108.7	D584 D588	D584-E586 PolarHBondContact O-N 3.41Å; E586-D588 PolarHBondContact O-N 3.46Å
587	F	53.8	Low	59.3	Low	105 Å²	105	98.9 Å²	98.9	46%	0.461	53%	0.532	S	S	.	.			trans	-77.6	72.3	168.9	-73.8	-91.6	0	0	0	108.6	M585 V589	M585-F587 PolarHBondContact O-N 3.42Å; M585-F587 VanDerWaalsContact O-N 3.17Å; F587-V589 PolarHBondContact O-N 3.48Å; F587-V589 VanDerWaalsContact O-N 3.1Å
588	D	60.9	Low	61.9	Low	110 Å²	110	91.9 Å²	91.9	59%	0.588	50%	0.499	S	S	*	.			trans	-84.9	63.5	170.8	-162.4	28	0	0	0	109.6	E586 K680	E586-D588 PolarHBondContact O-N 3.46Å; D588-K680 WeakPolarHBondContact OD1-CD 3.24Å; D588-K680 WeakPolarHBondContact OD1-CE 3.44Å; D588-K680 IonicContact OD1-NZ 2.86Å; D588-K680 PolarHBondContact OD1-NZ 3.32Å
589	V	71.9	Confident	64.5	Low	29 Å²	29	89.8 Å²	89.8	18%	0.176	47%	0.469	C	S	.	.			trans	-104.1	118.2	175.8	-177.2	0	0	0	0	108.2	L559 V562 F587 L591	L559-V589 HydrophobicContact CD2-CB 4.27Å; L559-V589 HydrophobicContact CD2-CG1 4.23Å; L559-V589 HydrophobicContact CD2-CG2 4.22Å; V562-V589 HydrophobicContact CG1-CG2 4.48Å; V562-V589 HydrophobicContact CG2-CG1 4.04Å; F587-V589 PolarHBondContact O-N 3.48Å; F587-V589 VanDerWaalsContact O-N 3.1Å; V589-L591 HydrophobicContact CG1-CD2 3.88Å
590	V	80.8	Confident	67.6	Low	81 Å²	81	80.9 Å²	80.9	49%	0.491	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.6	173.6	-178	0	0	0	0	108.9	K680	V590-K680 HydrophobicContact CG2-CG 4.41Å
591	L	84.9	Confident	70.3	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.1	-179.9	-53.7	175	0	0	0	109.2	V555 M558 V589 L635 S678 Y679 I681	V555-L591 HydrophobicContact CG1-CD1 4.04Å; V555-L591 HydrophobicContact CG2-CD1 4.18Å; M558-L591 HydrophobicContact CB-CD2 3.91Å; M558-L591 HydrophobicContact CE-CB 4.05Å; M558-L591 HydrophobicContact CE-CD2 3.88Å; M558-L591 HydrophobicContact SD-CB 4.17Å; M558-L591 HydrophobicContact SD-CD2 3.99Å; V589-L591 HydrophobicContact CG1-CD2 3.88Å; L591-L635 HydrophobicContact CD1-CD2 4.1Å; L591-S678 CarbonylContact O-C 3.56Å; L591-S678 WeakPolarHBondContact O-CA 3.27Å; L591-Y679 PolarHBondContact N-O 2.89Å; L591-Y679 PolarHBondContact O-N 2.84Å; L591-I681 HydrophobicContact CD1-CG1 4.22Å
592	G	85.6	Confident	73.3	Confident	22 Å²	22	67.5 Å²	67.5	23%	0.227	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.4	175.3	0	0	0	0	0	112.1	S594 L596	G592-S594 PolarHBondContact O-N 3.18Å; G592-L596 VanDerWaalsContact O-CB 3.28Å; G592-L596 WeakPolarHBondContact O-CB 3.34Å; G592-L596 PolarHBondContact O-N 3.41Å
593	Q	87.8	Confident	76	Confident	38 Å²	38	57.6 Å²	57.6	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-43.7	179.2	177.8	175.8	24.1	0	0	112.6	T597 R677 Y679	Q593-T597 VanDerWaalsContact O-CB 3.26Å; Q593-T597 WeakPolarHBondContact O-CB 3.25Å; Q593-T597 PolarHBondContact O-N 3.18Å; Q593-T597 PolarHBondContact O-OG1 3.3Å; Q593-R677 HydrophobicContact CB-CB 4.18Å; Q593-R677 WeakPolarHBondContact CB-O 2.98Å; Q593-R677 PolarHBondContact N-O 2.84Å; Q593-Y679 HydrophobicContact CB-CD2 4.38Å; Q593-Y679 HydrophobicContact CB-CE2 3.64Å; Q593-Y679 HydrophobicContact CG-CE2 3.87Å
594	S	86.8	Confident	78.8	Confident	79 Å²	79	55.3 Å²	55.3	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-60.3	-53.3	-178.5	49.3	0	0	0	0	110.9	G592 L596 T597 E598	G592-S594 PolarHBondContact O-N 3.18Å; S594-L596 PolarHBondContact O-N 3.36Å; S594-T597 PolarHBondContact O-N 3.4Å; S594-E598 WeakPolarHBondContact O-CB 3.46Å; S594-E598 PolarHBondContact O-N 3.5Å
595	E	87.4	Confident	81.6	Confident	104 Å²	104	48.3 Å²	48.3	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-46	178.6	-64.1	177.7	176.6	0	0	111.9	M558 T597 E598 K599	M558-E595 HydrophobicContact CE-CB 3.82Å; M558-E595 WeakPolarHBondContact CE-OE2 3.3Å; E595-T597 VanDerWaalsContact C-N 3.34Å; E595-T597 PolarHBondContact O-N 3.29Å; E595-E598 WeakPolarHBondContact O-CB 3.27Å; E595-E598 PolarHBondContact O-N 2.93Å; E595-K599 WeakPolarHBondContact O-CG 3.48Å; E595-K599 PolarHBondContact O-N 3.35Å
596	L	90.7	Very high	84.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-41.8	179.8	-177.8	60.9	0	0	0	111.7	A554 V555 M558 G592 S594 E598 K599 A600 V626 L635 Y679	A554-L596 HydrophobicContact CB-CD1 3.84Å; V555-L596 HydrophobicContact CG2-CD1 3.78Å; V555-L596 HydrophobicContact CG2-CD2 4.4Å; M558-L596 VanDerWaalsContact SD-CA 3.58Å; M558-L596 HydrophobicContact SD-CB 3.62Å; M558-L596 HydrophobicContact SD-CD1 3.68Å; M558-L596 HydrophobicContact SD-CG 4.21Å; G592-L596 VanDerWaalsContact O-CB 3.28Å; G592-L596 WeakPolarHBondContact O-CB 3.34Å; G592-L596 PolarHBondContact O-N 3.41Å; S594-L596 PolarHBondContact O-N 3.36Å; L596-E598 VanDerWaalsContact C-N 3.32Å; L596-K599 PolarHBondContact O-N 3.44Å; L596-A600 WeakPolarHBondContact O-CB 3.46Å; L596-A600 PolarHBondContact O-N 3.07Å; L596-V626 HydrophobicContact CD2-CG1 3.74Å; L596-V626 HydrophobicContact CD2-CG2 4.02Å; L596-V626 HydrophobicContact CG-CG1 4.45Å; L596-V626 HydrophobicContact CG-CG2 3.85Å; L596-L635 HydrophobicContact CD2-CD1 3.71Å; L596-Y679 HydrophobicContact CD2-CD2 4.14Å
597	T	91.5	Very high	86.2	Confident	13 Å²	13	33.8 Å²	33.8	8%	0.08	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-37.8	176.7	-55.1	0	0	0	0	110.8	Q593 S594 E595 A600 L601 A622 L623	Q593-T597 VanDerWaalsContact O-CB 3.26Å; Q593-T597 WeakPolarHBondContact O-CB 3.25Å; Q593-T597 PolarHBondContact O-N 3.18Å; Q593-T597 PolarHBondContact O-OG1 3.3Å; S594-T597 PolarHBondContact O-N 3.4Å; E595-T597 VanDerWaalsContact C-N 3.34Å; E595-T597 PolarHBondContact O-N 3.29Å; T597-A600 PolarHBondContact O-N 3.4Å; T597-L601 VanDerWaalsContact O-CB 3.32Å; T597-L601 WeakPolarHBondContact O-CB 3.41Å; T597-L601 PolarHBondContact O-N 3.07Å; T597-A622 HydrophobicContact CG2-CB 4.17Å; T597-L623 HydrophobicContact CG2-CD2 3.61Å; T597-L623 HydrophobicContact CG2-CG 3.89Å
598	E	90.6	Very high	87.8	Confident	48 Å²	48	30.3 Å²	30.3	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-45.9	176.3	-163.3	-166	152.5	0	0	111.5	S594 E595 L596 A600 L601 Q602	S594-E598 WeakPolarHBondContact O-CB 3.46Å; S594-E598 PolarHBondContact O-N 3.5Å; E595-E598 WeakPolarHBondContact O-CB 3.27Å; E595-E598 PolarHBondContact O-N 2.93Å; L596-E598 VanDerWaalsContact C-N 3.32Å; E598-A600 VanDerWaalsContact C-N 3.32Å; E598-A600 PolarHBondContact O-N 3.2Å; E598-L601 WeakPolarHBondContact O-CB 3.34Å; E598-L601 PolarHBondContact O-N 3.15Å; E598-L601 VanDerWaalsContact O-N 3.17Å; E598-Q602 WeakPolarHBondContact O-CB 3.4Å; E598-Q602 VanDerWaalsContact O-CG 3.29Å; E598-Q602 WeakPolarHBondContact O-CG 2.92Å; E598-Q602 PolarHBondContact O-N 3.14Å; E598-Q602 PolarHBondContact OE1-NE2 3.5Å
599	K	91.9	Very high	88.9	Confident	27 Å²	27	25.6 Å²	25.6	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-41.7	174	-67.3	-63.4	-175.2	178.2	0	111.6	A554 A557 M558 E561 E595 L596 L603 Y797	A554-K599 HydrophobicContact CB-CB 3.96Å; A557-K599 HydrophobicContact CB-CD 4.42Å; M558-K599 HydrophobicContact CG-CG 4.17Å; E561-K599 WeakPolarHBondContact OE1-CE 3.25Å; E561-K599 IonicContact OE1-NZ 2.61Å; E561-K599 PolarHBondContact OE1-NZ 3.03Å; E561-K599 WeakPolarHBondContact OE2-CE 3.49Å; E561-K599 IonicContact OE2-NZ 2.85Å; E595-K599 WeakPolarHBondContact O-CG 3.48Å; E595-K599 PolarHBondContact O-N 3.35Å; L596-K599 PolarHBondContact O-N 3.44Å; K599-L603 PolarHBondContact O-N 3.02Å; K599-L603 VanDerWaalsContact O-N 3.1Å; K599-Y797 HydrophobicContact CB-CE1 4.19Å; K599-Y797 WeakPolarHBondContact O-CE1 3Å; K599-Y797 PolarHBondContact O-OH 3.21Å; K599-Y797 VanDerWaalsContact O-OH 3.07Å
600	A	94.8	Very high	89.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-43.4	174.4	0	0	0	0	0	111.7	V550 A554 L596 T597 E598 L603 C604 A622	V550-A600 HydrophobicContact CG1-CB 4.15Å; A554-A600 HydrophobicContact CB-CB 3.96Å; L596-A600 WeakPolarHBondContact O-CB 3.46Å; L596-A600 PolarHBondContact O-N 3.07Å; T597-A600 PolarHBondContact O-N 3.4Å; E598-A600 VanDerWaalsContact C-N 3.32Å; E598-A600 PolarHBondContact O-N 3.2Å; A600-L603 PolarHBondContact O-N 3.34Å; A600-C604 PolarHBondContact O-N 3.29Å; A600-C604 PolarHBondContact O-SG 3.09Å; A600-A622 HydrophobicContact CB-CB 4Å
601	L	93.6	Very high	89.7	Confident	17 Å²	17	21.3 Å²	21.3	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-48.1	177.5	176	62.8	0	0	0	111.9	T597 E598 L603 C604 H605 T618 A622	T597-L601 VanDerWaalsContact O-CB 3.32Å; T597-L601 WeakPolarHBondContact O-CB 3.41Å; T597-L601 PolarHBondContact O-N 3.07Å; E598-L601 WeakPolarHBondContact O-CB 3.34Å; E598-L601 PolarHBondContact O-N 3.15Å; E598-L601 VanDerWaalsContact O-N 3.17Å; L601-L603 VanDerWaalsContact C-N 3.3Å; L601-L603 PolarHBondContact O-N 3.46Å; L601-C604 WeakPolarHBondContact O-CB 3.44Å; L601-C604 PolarHBondContact O-N 3.46Å; L601-C604 VanDerWaalsContact O-N 3.1Å; L601-H605 PolarHBondContact O-CD2 2.85Å; L601-H605 PolarHBondContact O-N 2.99Å; L601-T618 HydrophobicContact CD1-CG2 3.52Å; L601-A622 HydrophobicContact CB-CB 4Å
602	Q	92.9	Very high	89.9	Confident	12 Å²	12	22.4 Å²	22.4	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-56.4	-44.5	176	-73.1	172	15.1	0	0	111.5	L388 E598 H605 F793 Y797	L388-Q602 HydrophobicContact CD2-CB 4.33Å; L388-Q602 HydrophobicContact CD2-CG 4.43Å; E598-Q602 WeakPolarHBondContact O-CB 3.4Å; E598-Q602 VanDerWaalsContact O-CG 3.29Å; E598-Q602 WeakPolarHBondContact O-CG 2.92Å; E598-Q602 PolarHBondContact O-N 3.14Å; E598-Q602 PolarHBondContact OE1-NE2 3.5Å; Q602-H605 PolarHBondContact O-N 3.32Å; Q602-F793 HydrophobicContact CB-CE2 4.45Å; Q602-F793 HydrophobicContact CB-CZ 4.06Å; Q602-Y797 WeakPolarHBondContact CB-OH 3.15Å; Q602-Y797 PolarHBondContact OE1-OH 3.32Å
603	L	94.3	Very high	90	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-36.2	176.2	179.5	59.9	0	0	0	112.6	V550 C553 K599 A600 L601 H605 L606 L607 L698 L702 Y797	V550-L603 HydrophobicContact CB-CD2 4.39Å; V550-L603 HydrophobicContact CG1-CD2 4.16Å; V550-L603 HydrophobicContact CG1-CG 4.48Å; V550-L603 HydrophobicContact CG2-CD2 4.46Å; C553-L603 HydrophobicContact CB-CD2 3.36Å; K599-L603 PolarHBondContact O-N 3.02Å; K599-L603 VanDerWaalsContact O-N 3.1Å; A600-L603 PolarHBondContact O-N 3.34Å; L601-L603 VanDerWaalsContact C-N 3.3Å; L601-L603 PolarHBondContact O-N 3.46Å; L603-H605 PolarHBondContact O-N 2.89Å; L603-L606 PolarHBondContact O-N 3.47Å; L603-L607 PolarHBondContact O-N 2.67Å; L603-L698 HydrophobicContact CD2-CD1 4.19Å; L603-L702 HydrophobicContact CD1-CD1 4.22Å; L603-L702 HydrophobicContact CD1-CD2 3.78Å; L603-Y797 HydrophobicContact CB-CD1 4.16Å; L603-Y797 HydrophobicContact CB-CE1 3.93Å; L603-Y797 HydrophobicContact CD1-CD1 4.39Å; L603-Y797 HydrophobicContact CD1-CD2 4.48Å; L603-Y797 HydrophobicContact CD1-CG 4.19Å; L603-Y797 HydrophobicContact CD2-CD1 4.01Å; L603-Y797 HydrophobicContact CG-CD1 4.43Å
604	C	93.6	Very high	90	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.034	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-35.4	177.8	-70.5	0	0	0	0	112.6	A600 L601 L606 L607 T618 F621	A600-C604 PolarHBondContact O-N 3.29Å; A600-C604 PolarHBondContact O-SG 3.09Å; L601-C604 WeakPolarHBondContact O-CB 3.44Å; L601-C604 PolarHBondContact O-N 3.46Å; L601-C604 VanDerWaalsContact O-N 3.1Å; C604-L606 VanDerWaalsContact C-N 3.27Å; C604-L606 PolarHBondContact O-N 2.98Å; C604-L607 HydrophobicContact CB-CD1 4.49Å; C604-L607 WeakPolarHBondContact O-CB 3.04Å; C604-L607 PolarHBondContact O-N 2.94Å; C604-T618 HydrophobicContact CB-CG2 3.41Å; C604-T618 VanDerWaalsContact CB-CG2 3.41Å; C604-F621 WeakPolarHBondContact SG-CD1 3.49Å
605	H	92.1	Very high	90.1	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.042	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-24	177.6	-63.5	-46.9	0	0	0	113.6	L384 L388 G402 R404 L601 Q602 L603	L384-H605 HydrophobicContact CD1-CB 3.7Å; L388-H605 HydrophobicContact CD1-CB 3.95Å; L388-H605 HydrophobicContact CD2-CB 4.28Å; L388-H605 HydrophobicContact CG-CB 4.15Å; G402-H605 PolarHBondContact O-CE1 3.34Å; R404-H605 VanDerWaalsContact CD-O 3.28Å; R404-H605 WeakPolarHBondContact CD-O 3.22Å; R404-H605 PolarHBondContact NH1-O 2.72Å; R404-H605 VanDerWaalsContact NH1-O 3.14Å; L601-H605 PolarHBondContact O-CD2 2.85Å; L601-H605 PolarHBondContact O-N 2.99Å; Q602-H605 PolarHBondContact O-N 3.32Å; L603-H605 PolarHBondContact O-N 2.89Å
606	L	92.6	Very high	90.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-87.1	-6.5	176.1	-64.1	-177.9	0	0	0	113.9	L388 L603 C604 H701 L705 T757 F793 V794	L388-L606 HydrophobicContact CD1-CD2 3.59Å; L388-L606 HydrophobicContact CD1-CG 3.95Å; L603-L606 PolarHBondContact O-N 3.47Å; C604-L606 VanDerWaalsContact C-N 3.27Å; C604-L606 PolarHBondContact O-N 2.98Å; L606-H701 PolarHBondContact O-NE2 3.08Å; L606-L705 HydrophobicContact CD1-CD2 4.43Å; L606-L705 HydrophobicContact CD2-CD2 4.22Å; L606-T757 HydrophobicContact CD2-CG2 4.01Å; L606-F793 HydrophobicContact CD1-CE1 3.93Å; L606-V794 HydrophobicContact CD1-CG2 4.26Å
607	L	91.4	Very high	90.2	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.037	8%	0.08	C	C	.	.	S	Bend	trans	-66.5	145.3	-178.3	-66.4	177.6	0	0	0	112.3	I546 V550 L603 C604 I611 F621 L698	I546-L607 HydrophobicContact CD1-CD1 4.39Å; I546-L607 HydrophobicContact CD1-CD2 4.07Å; I546-L607 HydrophobicContact CG1-CD1 4.44Å; V550-L607 HydrophobicContact CG2-CD1 3.87Å; V550-L607 HydrophobicContact CG2-CD2 4.07Å; V550-L607 HydrophobicContact CG2-CG 4.47Å; L603-L607 PolarHBondContact O-N 2.67Å; C604-L607 HydrophobicContact CB-CD1 4.49Å; C604-L607 WeakPolarHBondContact O-CB 3.04Å; C604-L607 PolarHBondContact O-N 2.94Å; L607-I611 HydrophobicContact CD1-CG2 4.18Å; L607-F621 HydrophobicContact CD1-CE1 4.27Å; L607-L698 HydrophobicContact CD2-CD1 4.25Å; L607-L698 HydrophobicContact CD2-CD2 4.09Å
608	P	87.5	Confident	90.1	Very high	33 Å²	33	14.1 Å²	14.1	21%	0.214	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-55.3	152.7	170.1	-25.7	29.7	0	0	0	113.9	I611 T753	P608-I611 HydrophobicContact CB-CD1 3.68Å; P608-I611 HydrophobicContact CB-CG1 4.36Å; P608-I611 HydrophobicContact CG-CD1 3.72Å; P608-T753 HydrophobicContact CB-CG2 4.45Å; P608-T753 HydrophobicContact CG-CG2 4.48Å
609	P	84	Confident	90.1	Very high	11 Å²	11	15.9 Å²	15.9	7%	0.071	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	140.8	-179.7	25.7	-35.4	0	0	0	112.6	A292 M406 W408 L435 I611	A292-P609 HydrophobicContact CB-CG 4.3Å; A292-P609 WeakPolarHBondContact O-CG 3.27Å; M406-P609 HydrophobicContact CE-CB 4.23Å; M406-P609 HydrophobicContact SD-CB 3.71Å; W408-P609 HydrophobicContact CH2-CB 4.48Å; W408-P609 HydrophobicContact CH2-CG 3.87Å; W408-P609 HydrophobicContact CZ2-CB 4.49Å; W408-P609 HydrophobicContact CZ2-CG 4.11Å; L435-P609 HydrophobicContact CD2-CB 3.93Å; P609-I611 VanDerWaalsContact C-N 3.3Å; P609-I611 PolarHBondContact O-N 3.5Å
610	G	82.9	Confident	90.1	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	4.3	174.3	0	0	0	0	0	115.5	F439	F439-G610 WeakPolarHBondContact CA-O 3.49Å
611	I	87.4	Confident	90	Very high	16 Å²	16	16.6 Å²	16.6	8%	0.082	9%	0.093	C	C	.	.	S	Bend	trans	-75.2	-41.6	171.2	-73.2	-179.7	0	0	0	111.6	F439 I546 L607 P608 P609	F439-I611 VanDerWaalsContact CD2-O 3.28Å; F439-I611 WeakPolarHBondContact CD2-O 3.24Å; F439-I611 VanDerWaalsContact CE2-O 3.26Å; F439-I611 WeakPolarHBondContact CE2-O 3.31Å; I546-I611 HydrophobicContact CB-CG2 4.12Å; I546-I611 HydrophobicContact CD1-CD1 4.43Å; I546-I611 HydrophobicContact CD1-CG2 3.52Å; I546-I611 HydrophobicContact CG1-CG2 3.31Å; I546-I611 HydrophobicContact CG2-CG2 4.34Å; L607-I611 HydrophobicContact CD1-CG2 4.18Å; P608-I611 HydrophobicContact CB-CD1 3.68Å; P608-I611 HydrophobicContact CB-CG1 4.36Å; P608-I611 HydrophobicContact CG-CD1 3.72Å; P609-I611 VanDerWaalsContact C-N 3.3Å; P609-I611 PolarHBondContact O-N 3.5Å
612	M	88.8	Confident	90	Very high	24 Å²	24	15.8 Å²	15.8	12%	0.118	9%	0.088	C	C	.	.	S	Bend	trans	-103.2	135.7	178	177.4	179.5	49.7	0	0	109.9	K403 T618 F621	K403-M612 HydrophobicContact CG-CE 4.5Å; M612-T618 HydrophobicContact CE-CG2 4.01Å; M612-T618 HydrophobicContact SD-CG2 4.29Å; M612-F621 HydrophobicContact CB-CD2 4.27Å; M612-F621 HydrophobicContact CB-CE2 4.16Å; M612-F621 HydrophobicContact CG-CB 4.35Å; M612-F621 HydrophobicContact CG-CD2 3.62Å; M612-F621 HydrophobicContact CG-CE2 4.02Å; M612-F621 HydrophobicContact CG-CG 3.97Å; M612-F621 HydrophobicContact SD-CB 3.64Å; M612-F621 HydrophobicContact SD-CD1 4.21Å; M612-F621 HydrophobicContact SD-CD2 4Å; M612-F621 HydrophobicContact SD-CG 3.68Å
613	P	87.4	Confident	90.1	Very high	11 Å²	11	18 Å²	18	7%	0.071	10%	0.1	C	C	.	.			trans	-65.4	141.1	175.2	25.2	-30.1	0	0	0	110.9	K403 F439 C615 Q616	K403-P613 PolarHBondContact NZ-O 2.97Å; F439-P613 HydrophobicContact CD1-CB 3.83Å; F439-P613 HydrophobicContact CD1-CG 4.46Å; F439-P613 HydrophobicContact CD2-CB 4.48Å; F439-P613 HydrophobicContact CE1-CB 3.89Å; F439-P613 HydrophobicContact CE1-CG 4.09Å; F439-P613 HydrophobicContact CE2-CG 4.33Å; F439-P613 HydrophobicContact CG-CB 4.13Å; F439-P613 HydrophobicContact CZ-CB 4.26Å; F439-P613 HydrophobicContact CZ-CG 4.01Å; P613-C615 VanDerWaalsContact C-N 3.29Å; P613-C615 PolarHBondContact O-N 3.08Å; P613-Q616 HydrophobicContact CG-CB 3.89Å; P613-Q616 PolarHBondContact O-N 3.4Å
614	P	87.9	Confident	90.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.013	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.4	-177.9	27.5	-32.8	0	0	0	113.3	C376 W381 K403 A432 L435 H436 Q616	C376-P614 CarbonylContact O-C 3.58Å; C376-P614 VanDerWaalsContact O-C 3.29Å; W381-P614 HydrophobicContact CZ2-CB 4.35Å; K403-P614 PolarHBondContact NZ-O 3.22Å; A432-P614 HydrophobicContact CB-CB 4.26Å; A432-P614 VanDerWaalsContact O-CG 3.24Å; A432-P614 WeakPolarHBondContact O-CG 3.3Å; L435-P614 HydrophobicContact CB-CB 4.41Å; L435-P614 HydrophobicContact CB-CG 4.16Å; H436-P614 HydrophobicContact CB-CG 3.61Å; P614-Q616 VanDerWaalsContact C-N 3.26Å; P614-Q616 PolarHBondContact O-N 3.42Å
615	C	89.1	Confident	90.2	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.054	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.1	177.5	63.8	0	0	0	0	114.4	Q55 C56 R375 C376 V378 P613	Q55-C615 PolarHBondContact OE1-O 2.96Å; C56-C615 WeakPolarHBondContact SG-CB 3.48Å; R375-C615 VanDerWaalsContact O-CB 3.25Å; R375-C615 WeakPolarHBondContact O-CB 3.28Å; C376-C615 PolarHBondContact O-N 3.26Å; V378-C615 WeakPolarHBondContact CG2-O 3.25Å; P613-C615 VanDerWaalsContact C-N 3.29Å; P613-C615 PolarHBondContact O-N 3.08Å
616	Q	90.1	Very high	90.3	Very high	38 Å²	38	20 Å²	20	18%	0.178	11%	0.111	C	C	.	.	S	Bend	trans	-104	137.4	171	-173.5	172.3	12.1	0	0	109.2	K403 P613 P614 S620 F621 D624	K403-Q616 PolarHBondContact NZ-O 3.16Å; P613-Q616 HydrophobicContact CG-CB 3.89Å; P613-Q616 PolarHBondContact O-N 3.4Å; P614-Q616 VanDerWaalsContact C-N 3.26Å; P614-Q616 PolarHBondContact O-N 3.42Å; Q616-S620 WeakPolarHBondContact CG-OG 3.39Å; Q616-F621 HydrophobicContact CG-CB 4.35Å; Q616-D624 PolarHBondContact NE2-OD2 2.92Å
617	S	89.8	Confident	90.3	Very high	22 Å²	22	23 Å²	23	15%	0.154	13%	0.127	C	C	.	.			trans	-68.9	148.5	174.1	65.7	0	0	0	0	110.9	D379 Q619 S620 F621	D379-S617 WeakPolarHBondContact OD1-CB 3.49Å; D379-S617 WeakPolarHBondContact OD2-CA 3.44Å; D379-S617 WeakPolarHBondContact OD2-CB 3.49Å; S617-Q619 PolarHBondContact O-N 3.31Å; S617-S620 PolarHBondContact N-OG 2.88Å; S617-S620 PolarHBondContact O-N 2.93Å; S617-S620 PolarHBondContact O-OG 3.42Å; S617-S620 VanDerWaalsContact OG-CB 3.24Å; S617-S620 WeakPolarHBondContact OG-CB 3.31Å; S617-S620 PolarHBondContact OG-N 2.92Å; S617-S620 VanDerWaalsContact OG-N 3.14Å; S617-S620 PolarHBondContact OG-OG 3.06Å; S617-F621 PolarHBondContact O-N 3.41Å; S617-F621 VanDerWaalsContact O-N 3.07Å
618	T	90.1	Very high	90.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-34.9	179.9	-41.9	0	0	0	0	111.2	D379 G402 L601 C604 M612 F621 A622	D379-T618 PolarHBondContact OD2-N 2.69Å; G402-T618 PolarHBondContact O-OG1 3.05Å; G402-T618 VanDerWaalsContact O-OG1 3.14Å; L601-T618 HydrophobicContact CD1-CG2 3.52Å; C604-T618 HydrophobicContact CB-CG2 3.41Å; C604-T618 VanDerWaalsContact CB-CG2 3.41Å; M612-T618 HydrophobicContact CE-CG2 4.01Å; M612-T618 HydrophobicContact SD-CG2 4.29Å; T618-F621 PolarHBondContact O-N 3.45Å; T618-A622 PolarHBondContact O-N 3.47Å
619	Q	90.1	Very high	90.6	Very high	85 Å²	85	21.1 Å²	21.1	40%	0.397	12%	0.115	S	C	.	.	H	α-helix	trans	-66	-45.2	176.4	-172.1	-176	14.9	0	0	112.5	S617 F621 A622 L623	S617-Q619 PolarHBondContact O-N 3.31Å; Q619-F621 VanDerWaalsContact C-N 3.28Å; Q619-F621 PolarHBondContact O-N 3.24Å; Q619-A622 PolarHBondContact O-N 3.35Å; Q619-L623 HydrophobicContact CG-CD1 4.47Å; Q619-L623 WeakPolarHBondContact O-CG 3.43Å; Q619-L623 PolarHBondContact O-N 3.24Å
620	S	91.6	Very high	90.9	Very high	38 Å²	38	22.8 Å²	22.8	27%	0.266	13%	0.125	S	C	.	.	H	α-helix	trans	-64.3	-36	176.9	60.6	0	0	0	0	111.6	Q616 S617 L623 D624	Q616-S620 WeakPolarHBondContact CG-OG 3.39Å; S617-S620 PolarHBondContact N-OG 2.88Å; S617-S620 PolarHBondContact O-N 2.93Å; S617-S620 PolarHBondContact O-OG 3.42Å; S617-S620 VanDerWaalsContact OG-CB 3.24Å; S617-S620 WeakPolarHBondContact OG-CB 3.31Å; S617-S620 PolarHBondContact OG-N 2.92Å; S617-S620 VanDerWaalsContact OG-N 3.14Å; S617-S620 PolarHBondContact OG-OG 3.06Å; S620-L623 PolarHBondContact O-N 3.47Å; S620-D624 WeakPolarHBondContact O-CB 3.5Å; S620-D624 VanDerWaalsContact O-CG 3.25Å; S620-D624 PolarHBondContact O-N 3.29Å
621	F	93.5	Very high	91.2	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.022	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-39.7	173.6	-172.7	-82.9	0	0	0	112.3	I546 L547 V550 C604 L607 M612 Q616 S617 T618 Q619 D624 A625	I546-F621 HydrophobicContact CG1-CZ 4.11Å; I546-F621 HydrophobicContact CG2-CZ 4.09Å; L547-F621 HydrophobicContact CD2-CD1 4.04Å; L547-F621 HydrophobicContact CD2-CD2 3.75Å; L547-F621 HydrophobicContact CD2-CE1 3.81Å; L547-F621 HydrophobicContact CD2-CE2 3.5Å; L547-F621 HydrophobicContact CD2-CG 4.03Å; L547-F621 HydrophobicContact CD2-CZ 3.54Å; L547-F621 HydrophobicContact CG-CE2 4.23Å; L547-F621 HydrophobicContact CG-CZ 4.22Å; V550-F621 HydrophobicContact CG2-CE1 4.32Å; C604-F621 WeakPolarHBondContact SG-CD1 3.49Å; L607-F621 HydrophobicContact CD1-CE1 4.27Å; M612-F621 HydrophobicContact CB-CD2 4.27Å; M612-F621 HydrophobicContact CB-CE2 4.16Å; M612-F621 HydrophobicContact CG-CB 4.35Å; M612-F621 HydrophobicContact CG-CD2 3.62Å; M612-F621 HydrophobicContact CG-CE2 4.02Å; M612-F621 HydrophobicContact CG-CG 3.97Å; M612-F621 HydrophobicContact SD-CB 3.64Å; M612-F621 HydrophobicContact SD-CD1 4.21Å; M612-F621 HydrophobicContact SD-CD2 4Å; M612-F621 HydrophobicContact SD-CG 3.68Å; Q616-F621 HydrophobicContact CG-CB 4.35Å; S617-F621 PolarHBondContact O-N 3.41Å; S617-F621 VanDerWaalsContact O-N 3.07Å; T618-F621 PolarHBondContact O-N 3.45Å; Q619-F621 VanDerWaalsContact C-N 3.28Å; Q619-F621 PolarHBondContact O-N 3.24Å; F621-D624 PolarHBondContact O-N 2.92Å; F621-A625 WeakPolarHBondContact O-CB 3.31Å; F621-A625 PolarHBondContact O-N 2.97Å
622	A	94.1	Very high	91.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-41	175.8	0	0	0	0	0	112.1	T597 A600 L601 T618 Q619 A625 V626	T597-A622 HydrophobicContact CG2-CB 4.17Å; A600-A622 HydrophobicContact CB-CB 4Å; L601-A622 HydrophobicContact CB-CB 4Å; T618-A622 PolarHBondContact O-N 3.47Å; Q619-A622 PolarHBondContact O-N 3.35Å; A622-A625 WeakPolarHBondContact O-CB 3.35Å; A622-A625 PolarHBondContact O-N 3.42Å; A622-V626 PolarHBondContact O-N 3.19Å; A622-V626 VanDerWaalsContact O-N 3.16Å
623	L	93.5	Very high	91	Very high	57 Å²	57	32.7 Å²	32.7	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-47.7	172.8	-72.4	168.9	0	0	0	111.4	T597 Q619 S620 A625 V626 D627	T597-L623 HydrophobicContact CG2-CD2 3.61Å; T597-L623 HydrophobicContact CG2-CG 3.89Å; Q619-L623 HydrophobicContact CG-CD1 4.47Å; Q619-L623 WeakPolarHBondContact O-CG 3.43Å; Q619-L623 PolarHBondContact O-N 3.24Å; S620-L623 PolarHBondContact O-N 3.47Å; L623-A625 PolarHBondContact O-N 3.44Å; L623-V626 PolarHBondContact O-N 3.24Å; L623-V626 VanDerWaalsContact O-N 3.08Å; L623-D627 PolarHBondContact O-N 3.3Å
624	D	94.8	Very high	91.1	Very high	57 Å²	57	32.2 Å²	32.2	31%	0.305	18%	0.175	S	C	.	.	H	α-helix	trans	-58.5	-33.1	176	-77	-16.5	0	0	0	112.1	L547 Q616 S620 F621 S628	L547-D624 HydrophobicContact CD1-CB 4.42Å; L547-D624 HydrophobicContact CD2-CB 3.89Å; Q616-D624 PolarHBondContact NE2-OD2 2.92Å; S620-D624 WeakPolarHBondContact O-CB 3.5Å; S620-D624 VanDerWaalsContact O-CG 3.25Å; S620-D624 PolarHBondContact O-N 3.29Å; F621-D624 PolarHBondContact O-N 2.92Å; D624-S628 VanDerWaalsContact O-CB 3.24Å; D624-S628 WeakPolarHBondContact O-CB 3.38Å; D624-S628 PolarHBondContact O-N 3.22Å
625	A	95.4	Very high	91.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-45.9	175.5	0	0	0	0	0	111.4	L547 V550 F621 A622 L623 S628 L629	L547-A625 HydrophobicContact CD2-CB 4.28Å; L547-A625 VanDerWaalsContact O-CB 3.25Å; L547-A625 WeakPolarHBondContact O-CB 3.44Å; V550-A625 HydrophobicContact CB-CB 4.24Å; V550-A625 HydrophobicContact CG1-CB 4.06Å; F621-A625 WeakPolarHBondContact O-CB 3.31Å; F621-A625 PolarHBondContact O-N 2.97Å; A622-A625 WeakPolarHBondContact O-CB 3.35Å; A622-A625 PolarHBondContact O-N 3.42Å; L623-A625 PolarHBondContact O-N 3.44Å; A625-S628 PolarHBondContact O-N 3.14Å; A625-S628 PolarHBondContact O-OG 3.15Å; A625-L629 PolarHBondContact O-N 3.21Å
626	V	94.1	Very high	91	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-47.7	174.1	177.9	0	0	0	0	110.9	L596 A622 L623 S628 L629 V630 L635 Y679	L596-V626 HydrophobicContact CD2-CG1 3.74Å; L596-V626 HydrophobicContact CD2-CG2 4.02Å; L596-V626 HydrophobicContact CG-CG1 4.45Å; L596-V626 HydrophobicContact CG-CG2 3.85Å; A622-V626 PolarHBondContact O-N 3.19Å; A622-V626 VanDerWaalsContact O-N 3.16Å; L623-V626 PolarHBondContact O-N 3.24Å; L623-V626 VanDerWaalsContact O-N 3.08Å; V626-S628 PolarHBondContact O-N 2.84Å; V626-L629 WeakPolarHBondContact O-CB 3.49Å; V626-L629 PolarHBondContact O-N 3.27Å; V626-V630 PolarHBondContact O-N 3.12Å; V626-L635 HydrophobicContact CG1-CD1 4.32Å; V626-Y679 HydrophobicContact CG1-CD2 4.45Å; V626-Y679 HydrophobicContact CG1-CE2 3.85Å
627	D	93.4	Very high	90.7	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.342	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-30	178.3	-73.2	-11.8	0	0	0	112.3	L623 L629 V630 R631	L623-D627 PolarHBondContact O-N 3.3Å; D627-L629 VanDerWaalsContact C-N 3.32Å; D627-V630 PolarHBondContact O-N 3.25Å; D627-R631 WeakPolarHBondContact O-CG 3.33Å; D627-R631 PolarHBondContact O-N 3.31Å; D627-R631 PolarHBondContact O-NE 3.47Å
628	S	93	Very high	90.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-35.7	174.2	78.3	0	0	0	0	112.1	E548 D624 A625 V626 R631 C632	E548-S628 WeakPolarHBondContact CA-OG 3.34Å; E548-S628 PolarHBondContact N-OG 3.15Å; D624-S628 VanDerWaalsContact O-CB 3.24Å; D624-S628 WeakPolarHBondContact O-CB 3.38Å; D624-S628 PolarHBondContact O-N 3.22Å; A625-S628 PolarHBondContact O-N 3.14Å; A625-S628 PolarHBondContact O-OG 3.15Å; V626-S628 PolarHBondContact O-N 2.84Å; S628-R631 PolarHBondContact O-N 3.02Å; S628-C632 WeakPolarHBondContact O-CB 3.4Å; S628-C632 PolarHBondContact O-N 2.95Å; S628-C632 PolarHBondContact O-SG 3Å
629	L	92.4	Very high	88.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.6	-36.8	175.7	-65.2	-173.9	0	0	0	112.2	E548 A552 V555 A625 V626 D627 C632 G633 I634 L635 L694	E548-L629 HydrophobicContact CB-CD2 4.39Å; A552-L629 HydrophobicContact CB-CD2 4.43Å; V555-L629 HydrophobicContact CG2-CD1 3.7Å; A625-L629 PolarHBondContact O-N 3.21Å; V626-L629 WeakPolarHBondContact O-CB 3.49Å; V626-L629 PolarHBondContact O-N 3.27Å; D627-L629 VanDerWaalsContact C-N 3.32Å; L629-C632 PolarHBondContact O-N 3.25Å; L629-G633 PolarHBondContact O-N 3.25Å; L629-I634 HydrophobicContact CB-CB 4.33Å; L629-I634 HydrophobicContact CD2-CD1 3.78Å; L629-I634 PolarHBondContact O-N 2.82Å; L629-L635 HydrophobicContact CB-CB 4.43Å; L629-L635 HydrophobicContact CB-CD1 3.78Å; L629-L635 HydrophobicContact CB-CG 3.85Å; L629-L635 HydrophobicContact CD1-CD1 3.77Å; L629-L635 HydrophobicContact CD1-CG 4.14Å; L629-L635 HydrophobicContact CG-CD1 4.45Å; L629-L635 PolarHBondContact O-N 3.39Å; L629-L694 HydrophobicContact CD2-CD1 4.34Å
630	V	89.9	Confident	87.2	Confident	46 Å²	46	47.7 Å²	47.7	28%	0.279	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-46.2	172.2	-179.5	0	0	0	0	109.9	V626 D627 C632 G633 L635 Y679	V626-V630 PolarHBondContact O-N 3.12Å; D627-V630 PolarHBondContact O-N 3.25Å; V630-C632 VanDerWaalsContact C-N 3.27Å; V630-C632 PolarHBondContact O-N 2.97Å; V630-G633 WeakPolarHBondContact O-CA 3.32Å; V630-G633 PolarHBondContact O-N 3.41Å; V630-L635 HydrophobicContact CG2-CB 3.93Å; V630-Y679 HydrophobicContact CG2-CD1 4.16Å; V630-Y679 HydrophobicContact CG2-CE1 3.77Å
631	R	88.5	Confident	85.2	Confident	168 Å²	168	50 Å²	50	63%	0.634	26%	0.261	S	S	*	.	H	α-helix	trans	-61.3	-33.3	175.5	-75.2	-179.5	-75.6	169	-6.2	113.3	D627 S628 G633	D627-R631 WeakPolarHBondContact O-CG 3.33Å; D627-R631 PolarHBondContact O-N 3.31Å; D627-R631 PolarHBondContact O-NE 3.47Å; S628-R631 PolarHBondContact O-N 3.02Å; R631-G633 PolarHBondContact O-N 3.3Å
632	C	86.9	Confident	82.8	Confident	42 Å²	42	60.8 Å²	60.8	28%	0.284	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.2	174.1	-65.8	0	0	0	0	113.3	R484 S628 L629 V630 I634	R484-C632 PolarHBondContact NH2-SG 3.28Å; S628-C632 WeakPolarHBondContact O-CB 3.4Å; S628-C632 PolarHBondContact O-N 2.95Å; S628-C632 PolarHBondContact O-SG 3Å; L629-C632 PolarHBondContact O-N 3.25Å; V630-C632 VanDerWaalsContact C-N 3.27Å; V630-C632 PolarHBondContact O-N 2.97Å; C632-I634 HydrophobicContact CB-CD1 3.86Å; C632-I634 HydrophobicContact CB-CG1 3.98Å; C632-I634 PolarHBondContact O-N 3.49Å
633	G	86.4	Confident	80.1	Confident	40 Å²	40	68.3 Å²	68.3	41%	0.412	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	19.8	-175	0	0	0	0	0	113.4	L629 V630 R631 S682	L629-G633 PolarHBondContact O-N 3.25Å; V630-G633 WeakPolarHBondContact O-CA 3.32Å; V630-G633 PolarHBondContact O-N 3.41Å; R631-G633 PolarHBondContact O-N 3.3Å; G633-S682 VanDerWaalsContact O-CB 3.23Å; G633-S682 WeakPolarHBondContact O-CB 3.42Å; G633-S682 PolarHBondContact O-OG 3.47Å
634	I	88.1	Confident	77.4	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-80.9	-39.7	176	-64.7	168.2	0	0	0	109.9	L629 C632 I681 S682 M690 L691 L694	L629-I634 HydrophobicContact CB-CB 4.33Å; L629-I634 HydrophobicContact CD2-CD1 3.78Å; L629-I634 PolarHBondContact O-N 2.82Å; C632-I634 HydrophobicContact CB-CD1 3.86Å; C632-I634 HydrophobicContact CB-CG1 3.98Å; C632-I634 PolarHBondContact O-N 3.49Å; I634-I681 WeakPolarHBondContact O-CA 3.33Å; I634-S682 PolarHBondContact O-N 3.19Å; I634-S682 PolarHBondContact O-OG 3.42Å; I634-M690 HydrophobicContact CD1-CG 3.88Å; I634-M690 HydrophobicContact CG1-CG 4.47Å; I634-L691 HydrophobicContact CG2-CD1 3.99Å; I634-L694 HydrophobicContact CD1-CD1 3.57Å
635	L	88.7	Confident	74.6	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.9	175.1	-64.3	-179.9	0	0	0	110.6	V555 L591 L596 V626 L629 V630 Y679 K680 I681	V555-L635 HydrophobicContact CG2-CD1 4.38Å; V555-L635 HydrophobicContact CG2-CD2 4.18Å; L591-L635 HydrophobicContact CD1-CD2 4.1Å; L596-L635 HydrophobicContact CD2-CD1 3.71Å; V626-L635 HydrophobicContact CG1-CD1 4.32Å; L629-L635 HydrophobicContact CB-CB 4.43Å; L629-L635 HydrophobicContact CB-CD1 3.78Å; L629-L635 HydrophobicContact CB-CG 3.85Å; L629-L635 HydrophobicContact CD1-CD1 3.77Å; L629-L635 HydrophobicContact CD1-CG 4.14Å; L629-L635 HydrophobicContact CG-CD1 4.45Å; L629-L635 PolarHBondContact O-N 3.39Å; V630-L635 HydrophobicContact CG2-CB 3.93Å; L635-Y679 HydrophobicContact CB-CD1 4.31Å; L635-Y679 HydrophobicContact CD1-CG 4.36Å; L635-K680 CarbonylContact C-O 3.55Å; L635-K680 WeakPolarHBondContact CA-O 3.17Å; L635-I681 HydrophobicContact CD2-CG1 4.21Å
636	I	86.4	Confident	71.7	Confident	91 Å²	91	81.7 Å²	81.7	47%	0.467	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.2	170.9	-58.4	173.7	0	0	0	106.8	Y679 K680	I636-Y679 CarbonylContact O-C 3.49Å; I636-Y679 VanDerWaalsContact O-CA 3.3Å; I636-Y679 WeakPolarHBondContact O-CA 3.48Å; I636-K680 PolarHBondContact N-O 2.97Å; I636-K680 PolarHBondContact O-N 2.77Å
637	M	83.9	Confident	68.9	Low	83 Å²	83	86.6 Å²	86.6	41%	0.409	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.5	175.2	-172.2	-179.8	-66.5	0	0	109.4	Y679	M637-Y679 HydrophobicContact CB-CD1 4.17Å; M637-Y679 HydrophobicContact CB-CE1 3.99Å; M637-Y679 HydrophobicContact CE-CE1 3.89Å; M637-Y679 HydrophobicContact CG-CD1 4.49Å; M637-Y679 HydrophobicContact CG-CE1 4.05Å
638	E	78	Confident	66.1	Low	70 Å²	70	88.1 Å²	88.1	33%	0.327	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.7	170.2	-71.5	-168.5	163.2	0	0	109.2	I640 S678 K680	E638-I640 PolarHBondContact O-N 3.32Å; E638-S678 PolarHBondContact N-O 3.21Å; E638-S678 PolarHBondContact O-N 2.64Å; E638-S678 PolarHBondContact O-OG 3.48Å; E638-K680 HydrophobicContact CG-CG 4.42Å; E638-K680 WeakPolarHBondContact OE1-CD 3.14Å; E638-K680 WeakPolarHBondContact OE1-CE 3.25Å; E638-K680 IonicContact OE1-NZ 3.85Å; E638-K680 PolarHBondContact OE1-NZ 3.27Å; E638-K680 WeakPolarHBondContact OE2-CE 3.38Å; E638-K680 IonicContact OE2-NZ 3.94Å; E638-K680 PolarHBondContact OE2-NZ 3.43Å; E638-K680 VanDerWaalsContact OE2-NZ 3.12Å
639	E	62.5	Low	63.5	Low	179 Å²	179	96 Å²	96	84%	0.836	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-74.1	121	165.9	-71.4	179.6	178.6	0	0	108.1	P641	E639-P641 WeakPolarHBondContact O-CD 3.4Å
640	I	56	Low	61	Low	53 Å²	53	107 Å²	107	27%	0.272	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-69.8	122.2	177.5	-54.1	-178.2	0	0	0	107.5	E638 R642 I646 L676	E638-I640 PolarHBondContact O-N 3.32Å; I640-R642 PolarHBondContact O-N 2.97Å; I640-I646 HydrophobicContact CD1-CD1 3.48Å; I640-I646 VanDerWaalsContact CD1-CD1 3.48Å; I640-I646 HydrophobicContact CG2-CD1 4.31Å; I640-L676 HydrophobicContact CD1-CB 4.07Å; I640-L676 WeakPolarHBondContact CD1-O 3.24Å; I640-L676 WeakPolarHBondContact CG1-O 3.5Å
641	P	49.3	Very low	58.6	Low	86 Å²	86	113 Å²	113	56%	0.558	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-60.4	131.7	170.8	-15.5	28.1	0	0	0	108.6	E639 D643	E639-P641 WeakPolarHBondContact O-CD 3.4Å; P641-D643 PolarHBondContact O-N 3.37Å
642	R	44	Very low	56.2	Low	233 Å²	233	116 Å²	116	88%	0.879	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	7	-172.1	-66.2	-177.7	179.8	-174.5	-3.6	116.3	I640	I640-R642 PolarHBondContact O-N 2.97Å
643	D	37.3	Very low	53.7	Low	157 Å²	157	123.6 Å²	123.6	84%	0.84	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	14.6	-170.9	-67.3	-33	0	0	0	115.2	P641	P641-D643 PolarHBondContact O-N 3.37Å
644	I	35.7	Very low	51.1	Low	116 Å²	116	124.7 Å²	124.7	60%	0.595	60%	0.599	S	S	*	*			trans	-114.7	113.5	174.6	-56.5	173	0	0	0	109.4	I646	I644-I646 PolarHBondContact O-N 2.73Å
645	H	36.2	Very low	48.2	Very low	194 Å²	194	131.1 Å²	131.1	90%	0.898	64%	0.639	S	S	*	*			trans	-59	103	166.3	-83.7	-76.2	0	0	0	109.1	C647	H645-C647 PolarHBondContact O-N 3.37Å
646	I	34.9	Very low	45.5	Very low	86 Å²	86	137.6 Å²	137.6	44%	0.441	67%	0.673	S	S	.	*			trans	-64.4	130.5	169	-56.7	169.2	0	0	0	106.9	I640 I644 D648 L676	I640-I646 HydrophobicContact CD1-CD1 3.48Å; I640-I646 VanDerWaalsContact CD1-CD1 3.48Å; I640-I646 HydrophobicContact CG2-CD1 4.31Å; I644-I646 PolarHBondContact O-N 2.73Å; I646-D648 VanDerWaalsContact C-N 3.33Å; I646-D648 PolarHBondContact O-N 3.43Å; I646-L676 HydrophobicContact CD1-CD1 4.21Å
647	C	34.8	Very low	42.7	Very low	103 Å²	103	139.1 Å²	139.1	70%	0.696	69%	0.687	S	S	*	*			trans	-70.8	91	176.3	-132.1	0	0	0	0	108.7	H645 F649	H645-C647 PolarHBondContact O-N 3.37Å; C647-F649 VanDerWaalsContact C-N 3.25Å; C647-F649 HydrophobicContact CB-CD2 4.37Å; C647-F649 PolarHBondContact O-N 3.31Å
648	D	34.8	Very low	40.2	Very low	96 Å²	96	145.6 Å²	145.6	51%	0.513	71%	0.706	S	S	.	*			trans	-62.9	84.6	166.8	-81.9	-2.1	0	0	0	108.8	I646 W650 K651	I646-D648 VanDerWaalsContact C-N 3.33Å; I646-D648 PolarHBondContact O-N 3.43Å; D648-W650 PolarHBondContact O-N 3.2Å; D648-W650 VanDerWaalsContact O-N 3.09Å; D648-K651 IonicContact OD2-NZ 2.89Å; D648-K651 PolarHBondContact OD2-NZ 3.48Å
649	F	37.9	Very low	37.9	Very low	168 Å²	168	148 Å²	148	74%	0.737	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-10.8	-176.6	-120.7	-89	0	0	0	113.8	C647	C647-F649 VanDerWaalsContact C-N 3.25Å; C647-F649 HydrophobicContact CB-CD2 4.37Å; C647-F649 PolarHBondContact O-N 3.31Å
650	W	41.5	Very low	36.5	Very low	229 Å²	229	143.9 Å²	143.9	87%	0.867	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	2.5	-165.9	-67.3	74.3	0	0	0	115.5	D648 R652	D648-W650 PolarHBondContact O-N 3.2Å; D648-W650 VanDerWaalsContact O-N 3.09Å; W650-R652 PolarHBondContact O-N 3.33Å
651	K	39.5	Very low	35.4	Very low	173 Å²	173	147.4 Å²	147.4	75%	0.752	75%	0.747	S	S	*	*			trans	-79.8	9.5	174.2	-92.8	-179.3	-172.8	148.1	0	115	D648	D648-K651 IonicContact OD2-NZ 2.89Å; D648-K651 PolarHBondContact OD2-NZ 3.48Å
652	R	38.3	Very low	34.7	Very low	232 Å²	232	151.3 Å²	151.3	88%	0.875	76%	0.763	S	S	*	*	S	Bend	trans	-115.6	64.7	-178.7	-161.6	-177.1	-76.1	178.1	-2.3	111.9	W650	W650-R652 PolarHBondContact O-N 3.33Å
653	E	33.8	Very low	34.2	Very low	200 Å²	200	146.2 Å²	146.2	94%	0.935	75%	0.753	S	S	*	*	S	Bend	trans	-173.7	67.4	149.8	-107.2	163.2	-165.9	0	0	110.4
654	G	31.8	Very low	34.3	Very low	64 Å²	64	143.8 Å²	143.8	66%	0.66	75%	0.746	S	S	*	*	S	Bend	trans	-144.6	105.9	169.8	0	0	0	0	0	108.4	L656	G654-L656 PolarHBondContact O-N 2.98Å
655	T	26.8	Very low	34.4	Very low	136 Å²	136	147.7 Å²	147.7	83%	0.834	76%	0.755	S	S	*	*			trans	-43.4	117	-179.6	-52.9	0	0	0	0	111.7	T657	T655-T657 PolarHBondContact O-N 2.95Å
656	L	32.6	Very low	34.3	Very low	140 Å²	140	146.8 Å²	146.8	73%	0.733	75%	0.75	S	S	*	*			trans	-58.5	94.7	174.8	-67.6	163	0	0	0	110.4	G654 W658	G654-L656 PolarHBondContact O-N 2.98Å; L656-W658 PolarHBondContact O-N 3.48Å
657	T	26.5	Very low	34.2	Very low	124 Å²	124	147.8 Å²	147.8	76%	0.761	77%	0.765	S	S	*	*			trans	-81	92.3	160.7	44	0	0	0	0	108.3	T655 T659	T655-T657 PolarHBondContact O-N 2.95Å; T657-T659 PolarHBondContact O-N 2.89Å
658	W	31.3	Very low	34.3	Very low	218 Å²	218	149.7 Å²	149.7	83%	0.826	77%	0.768	S	S	*	*			trans	-66.9	106.3	162.5	-70.7	91.4	0	0	0	108.5	L656	L656-W658 PolarHBondContact O-N 3.48Å
659	T	30.9	Very low	34.1	Very low	122 Å²	122	149 Å²	149	75%	0.748	77%	0.771	S	S	*	*			trans	-107.7	100.6	154.7	46.6	0	0	0	0	107.4	T657 T661	T657-T659 PolarHBondContact O-N 2.89Å; T659-T661 PolarHBondContact O-N 3.09Å
660	A	33.4	Very low	33.9	Very low	91 Å²	91	148 Å²	148	75%	0.752	77%	0.773	S	S	*	*			trans	-68.6	111.9	166.4	0	0	0	0	0	108.3
661	T	31.6	Very low	33.7	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	76%	0.763	S	S	*	*			trans	-131.2	103.1	160.2	30.1	0	0	0	0	107	T659 D663	T659-T661 PolarHBondContact O-N 3.09Å; T661-D663 PolarHBondContact O-N 3.31Å
662	D	35.9	Very low	33.5	Very low	168 Å²	168	141.6 Å²	141.6	90%	0.898	77%	0.765	S	S	*	*			trans	-62.8	109.6	167.2	-67	-49.5	0	0	0	109
663	D	33.5	Very low	33.6	Very low	127 Å²	127	137.7 Å²	137.7	68%	0.679	76%	0.762	S	S	*	*			trans	-132.2	114.6	162	-162.3	-1.5	0	0	0	109	T661 Y665	T661-D663 PolarHBondContact O-N 3.31Å; D663-Y665 VanDerWaalsContact C-N 3.3Å; D663-Y665 PolarHBondContact O-N 3.34Å
664	P	39.6	Very low	34.1	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	76%	0.758	S	S	*	*			trans	-90.4	30	-169.6	36.6	-35.5	0	0	0	113.8
665	Y	36.7	Very low	34.9	Very low	199 Å²	199	138.7 Å²	138.7	78%	0.78	75%	0.753	S	S	*	*			trans	-104.9	93.7	173	-73.2	-80.2	0	0	0	110.6	D663 S667	D663-Y665 VanDerWaalsContact C-N 3.3Å; D663-Y665 PolarHBondContact O-N 3.34Å; Y665-S667 PolarHBondContact O-N 2.82Å
666	H	35.1	Very low	36.5	Very low	175 Å²	175	137.8 Å²	137.8	81%	0.81	74%	0.742	S	S	*	*			trans	-55.6	100.7	165.2	-68.6	-76.3	0	0	0	109.7
667	S	32.9	Very low	38.4	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	73%	0.728	S	S	*	*			trans	-85.3	102.8	157.5	-160.6	0	0	0	0	105.9	Y665 S669	Y665-S667 PolarHBondContact O-N 2.82Å; S667-S669 PolarHBondContact O-N 3.46Å
668	D	35.1	Very low	41.2	Very low	143 Å²	143	131.1 Å²	131.1	77%	0.765	69%	0.694	S	S	*	*			trans	-66.5	58.9	167.1	-67	-22.7	0	0	0	109.6	D670	D668-D670 VanDerWaalsContact C-N 3.27Å; D668-D670 PolarHBondContact O-N 2.98Å
669	S	32.3	Very low	43.8	Very low	81 Å²	81	120.8 Å²	120.8	57%	0.566	66%	0.655	S	S	*	*			trans	-79	91.7	156.6	174	0	0	0	0	104.9	S667 C671	S667-S669 PolarHBondContact O-N 3.46Å; S669-C671 PolarHBondContact O-N 3.23Å
670	D	33.6	Very low	46.5	Very low	146 Å²	146	117 Å²	117	78%	0.781	63%	0.628	S	S	*	*			trans	-55.3	77.9	156.4	-67.6	-37	0	0	0	107.6	D668 E672	D668-D670 VanDerWaalsContact C-N 3.27Å; D668-D670 PolarHBondContact O-N 2.98Å; D670-E672 PolarHBondContact O-N 3.39Å
671	C	36.8	Very low	48.9	Very low	98 Å²	98	113.5 Å²	113.5	66%	0.662	60%	0.597	S	S	*	*			trans	-63.5	92.7	152.4	-68.4	0	0	0	0	103.4	S669 D673	S669-C671 PolarHBondContact O-N 3.23Å; C671-D673 VanDerWaalsContact C-N 3.3Å; C671-D673 PolarHBondContact O-N 3.4Å
672	E	35.7	Very low	51.1	Low	170 Å²	170	107.8 Å²	107.8	79%	0.794	56%	0.562	S	S	*	*			trans	-49.3	106.5	161.6	-66.6	-166.7	162.4	0	0	105.7	D670 Q674	D670-E672 PolarHBondContact O-N 3.39Å; E672-Q674 PolarHBondContact O-N 3.41Å
673	D	40.9	Very low	52.5	Low	151 Å²	151	105.2 Å²	105.2	81%	0.807	55%	0.545	S	S	*	.			trans	-47.5	113.7	165.1	-79.7	-44.4	0	0	0	105.1	C671 D675	C671-D673 VanDerWaalsContact C-N 3.3Å; C671-D673 PolarHBondContact O-N 3.4Å; D673-D675 PolarHBondContact O-N 3.1Å
674	Q	44.1	Very low	53.8	Low	180 Å²	180	102.5 Å²	102.5	84%	0.841	53%	0.534	S	S	*	.			trans	-47.7	112.1	-177.1	-79.6	175.4	5.4	0	0	107.9	E672 L676	E672-Q674 PolarHBondContact O-N 3.41Å; Q674-L676 PolarHBondContact O-N 2.94Å
675	D	46.9	Very low	54.6	Low	105 Å²	105	107.3 Å²	107.3	56%	0.561	54%	0.544	S	S	*	.			trans	-44.1	113.3	-179.2	-73.7	-48	0	0	0	108.4	D673 R677	D673-D675 PolarHBondContact O-N 3.1Å; D675-R677 VanDerWaalsContact C-N 3.27Å; D675-R677 PolarHBondContact O-N 3.14Å
676	L	60.4	Low	55.5	Low	116 Å²	116	105.2 Å²	105.2	61%	0.607	54%	0.542	S	S	*	.			trans	-66.6	90.2	179.5	-75.8	160.8	0	0	0	107.6	I640 I646 Q674	I640-L676 HydrophobicContact CD1-CB 4.07Å; I640-L676 WeakPolarHBondContact CD1-O 3.24Å; I640-L676 WeakPolarHBondContact CG1-O 3.5Å; I646-L676 HydrophobicContact CD1-CD1 4.21Å; Q674-L676 PolarHBondContact O-N 2.94Å
677	R	73.6	Confident	56.7	Low	118 Å²	118	97.3 Å²	97.3	45%	0.445	51%	0.506	S	S	.	.			trans	-76.8	136.5	174.4	-57.7	-178.8	-173.1	163.9	2.8	108.6	Q593 D675	Q593-R677 HydrophobicContact CB-CB 4.18Å; Q593-R677 WeakPolarHBondContact CB-O 2.98Å; Q593-R677 PolarHBondContact N-O 2.84Å; D675-R677 VanDerWaalsContact C-N 3.27Å; D675-R677 PolarHBondContact O-N 3.14Å
678	S	85	Confident	58.6	Low	7 Å²	7	94.8 Å²	94.8	5%	0.049	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.2	174.6	71.2	0	0	0	0	110.3	L591 E638	L591-S678 CarbonylContact O-C 3.56Å; L591-S678 WeakPolarHBondContact O-CA 3.27Å; E638-S678 PolarHBondContact N-O 3.21Å; E638-S678 PolarHBondContact O-N 2.64Å; E638-S678 PolarHBondContact O-OG 3.48Å
679	Y	87.1	Confident	60.8	Low	0 Å²	0	93.2 Å²	93.2	0%	0	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.7	-179.1	-60.4	-75	0	0	0	110.6	L591 Q593 L596 V626 V630 L635 I636 M637	L591-Y679 PolarHBondContact N-O 2.89Å; L591-Y679 PolarHBondContact O-N 2.84Å; Q593-Y679 HydrophobicContact CB-CD2 4.38Å; Q593-Y679 HydrophobicContact CB-CE2 3.64Å; Q593-Y679 HydrophobicContact CG-CE2 3.87Å; L596-Y679 HydrophobicContact CD2-CD2 4.14Å; V626-Y679 HydrophobicContact CG1-CD2 4.45Å; V626-Y679 HydrophobicContact CG1-CE2 3.85Å; V630-Y679 HydrophobicContact CG2-CD1 4.16Å; V630-Y679 HydrophobicContact CG2-CE1 3.77Å; L635-Y679 HydrophobicContact CB-CD1 4.31Å; L635-Y679 HydrophobicContact CD1-CG 4.36Å; I636-Y679 CarbonylContact O-C 3.49Å; I636-Y679 VanDerWaalsContact O-CA 3.3Å; I636-Y679 WeakPolarHBondContact O-CA 3.48Å; M637-Y679 HydrophobicContact CB-CD1 4.17Å; M637-Y679 HydrophobicContact CB-CE1 3.99Å; M637-Y679 HydrophobicContact CE-CE1 3.89Å; M637-Y679 HydrophobicContact CG-CD1 4.49Å; M637-Y679 HydrophobicContact CG-CE1 4.05Å
680	K	85.7	Confident	63.4	Low	43 Å²	43	90.4 Å²	90.4	19%	0.187	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.5	164.7	-70.8	-165.2	-175.5	153.8	0	111	D588 V590 L635 I636 E638 S682	D588-K680 WeakPolarHBondContact OD1-CD 3.24Å; D588-K680 WeakPolarHBondContact OD1-CE 3.44Å; D588-K680 IonicContact OD1-NZ 2.86Å; D588-K680 PolarHBondContact OD1-NZ 3.32Å; V590-K680 HydrophobicContact CG2-CG 4.41Å; L635-K680 CarbonylContact C-O 3.55Å; L635-K680 WeakPolarHBondContact CA-O 3.17Å; I636-K680 PolarHBondContact N-O 2.97Å; I636-K680 PolarHBondContact O-N 2.77Å; E638-K680 HydrophobicContact CG-CG 4.42Å; E638-K680 WeakPolarHBondContact OE1-CD 3.14Å; E638-K680 WeakPolarHBondContact OE1-CE 3.25Å; E638-K680 IonicContact OE1-NZ 3.85Å; E638-K680 PolarHBondContact OE1-NZ 3.27Å; E638-K680 WeakPolarHBondContact OE2-CE 3.38Å; E638-K680 IonicContact OE2-NZ 3.94Å; E638-K680 PolarHBondContact OE2-NZ 3.43Å; E638-K680 VanDerWaalsContact OE2-NZ 3.12Å; K680-S682 PolarHBondContact O-N 3.25Å
681	I	83.6	Confident	66.1	Low	17 Å²	17	83.8 Å²	83.8	9%	0.087	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.5	173.2	-59.2	174.4	0	0	0	108	V555 L559 L591 I634 L635	V555-I681 HydrophobicContact CG1-CD1 3.74Å; V555-I681 HydrophobicContact CG1-CG1 4.27Å; L559-I681 HydrophobicContact CD1-CD1 3.83Å; L559-I681 HydrophobicContact CD2-CD1 4.09Å; L559-I681 HydrophobicContact CG-CD1 4.33Å; L591-I681 HydrophobicContact CD1-CG1 4.22Å; I634-I681 WeakPolarHBondContact O-CA 3.33Å; L635-I681 HydrophobicContact CD2-CG1 4.21Å
682	S	78.7	Confident	68.6	Low	8 Å²	8	82 Å²	82	6%	0.056	40%	0.399	C	S	.	.			trans	-64.1	140.3	177	74.2	0	0	0	0	110.2	G633 I634 K680 P684 C687	G633-S682 VanDerWaalsContact O-CB 3.23Å; G633-S682 WeakPolarHBondContact O-CB 3.42Å; G633-S682 PolarHBondContact O-OG 3.47Å; I634-S682 PolarHBondContact O-N 3.19Å; I634-S682 PolarHBondContact O-OG 3.42Å; K680-S682 PolarHBondContact O-N 3.25Å; S682-P684 VanDerWaalsContact O-CD 3.28Å; S682-P684 WeakPolarHBondContact O-CD 3.1Å; S682-P684 VanDerWaalsContact OG-CD 3.22Å; S682-P684 WeakPolarHBondContact OG-CD 3.4Å; S682-C687 WeakPolarHBondContact O-CB 3.28Å; S682-C687 PolarHBondContact O-SG 3.35Å; S682-C687 WeakPolarHBondContact OG-CB 3.46Å; S682-C687 PolarHBondContact OG-SG 2.72Å
683	Q	66.4	Low	71.3	Confident	114 Å²	114	74 Å²	74	53%	0.533	36%	0.361	S	S	.	.			trans	-102.9	37.3	179.8	-60.5	-171.9	4.2	0	0	116
684	P	59.1	Low	73.9	Confident	69 Å²	69	66.8 Å²	66.8	45%	0.448	32%	0.323	S	S	.	.	S	Bend	trans	-76.7	150.1	164.2	31.3	-29.7	0	0	0	110.4	S682 Q686 C687 P688	S682-P684 VanDerWaalsContact O-CD 3.28Å; S682-P684 WeakPolarHBondContact O-CD 3.1Å; S682-P684 VanDerWaalsContact OG-CD 3.22Å; S682-P684 WeakPolarHBondContact OG-CD 3.4Å; P684-Q686 PolarHBondContact O-N 3.27Å; P684-C687 HydrophobicContact CG-CB 3.66Å; P684-C687 PolarHBondContact O-N 3.19Å; P684-P688 WeakPolarHBondContact O-CD 3.15Å
685	K	56.9	Low	76.2	Confident	207 Å²	207	58.3 Å²	58.3	90%	0.9	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-17.5	-179.7	-66.7	-175.1	178.9	-178.4	0	115.3
686	Q	56.5	Low	78.4	Confident	155 Å²	155	56.6 Å²	56.6	72%	0.724	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-15.9	-176.9	-65.7	177.9	-4.5	0	0	114.4	P684 E689 M690	P684-Q686 PolarHBondContact O-N 3.27Å; Q686-E689 PolarHBondContact O-N 3.06Å; Q686-M690 PolarHBondContact O-N 2.89Å
687	C	60	Low	80	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.054	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-45	-178.1	173.2	0	0	0	0	113	S682 P684 E689 M690 L691	S682-C687 WeakPolarHBondContact O-CB 3.28Å; S682-C687 PolarHBondContact O-SG 3.35Å; S682-C687 WeakPolarHBondContact OG-CB 3.46Å; S682-C687 PolarHBondContact OG-SG 2.72Å; P684-C687 HydrophobicContact CG-CB 3.66Å; P684-C687 PolarHBondContact O-N 3.19Å; C687-E689 VanDerWaalsContact C-N 3.3Å; C687-E689 PolarHBondContact O-N 3.37Å; C687-M690 PolarHBondContact O-N 2.86Å; C687-L691 PolarHBondContact O-N 3.39Å
688	P	72	Confident	81	Confident	54 Å²	54	46.3 Å²	46.3	35%	0.351	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-37.2	177.7	-24.6	34.8	0	0	0	112.9	P684 L691 F692	P684-P688 WeakPolarHBondContact O-CD 3.15Å; P688-L691 PolarHBondContact O-N 2.66Å; P688-F692 HydrophobicContact CB-CE2 3.98Å; P688-F692 HydrophobicContact CB-CZ 4.44Å; P688-F692 WeakPolarHBondContact O-CD2 3.14Å; P688-F692 WeakPolarHBondContact O-CG 3.48Å; P688-F692 PolarHBondContact O-N 3.03Å
689	E	82.2	Confident	81.4	Confident	111 Å²	111	46.1 Å²	46.1	52%	0.519	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-41.5	178.8	-68.3	-167.3	175.4	0	0	112.4	K460 Q686 C687 F693	K460-E689 IonicContact NZ-OE2 3.33Å; Q686-E689 PolarHBondContact O-N 3.06Å; C687-E689 VanDerWaalsContact C-N 3.3Å; C687-E689 PolarHBondContact O-N 3.37Å; E689-F693 VanDerWaalsContact O-CB 3.27Å; E689-F693 WeakPolarHBondContact O-CB 3.32Å; E689-F693 PolarHBondContact O-N 2.79Å
690	M	87.1	Confident	81.7	Confident	22 Å²	22	46.7 Å²	46.7	11%	0.108	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-44.8	176.9	-179.6	57.3	150.5	0	0	111.1	W476 F545 I634 Q686 C687 F692 F693 L694	W476-M690 HydrophobicContact CH2-CE 4.14Å; W476-M690 HydrophobicContact CH2-SD 3.53Å; W476-M690 VanDerWaalsContact CH2-SD 3.53Å; W476-M690 HydrophobicContact CZ2-CE 3.67Å; W476-M690 HydrophobicContact CZ2-SD 3.41Å; W476-M690 WeakPolarHBondContact CZ2-SD 3.46Å; F545-M690 HydrophobicContact CE1-CE 4.35Å; I634-M690 HydrophobicContact CD1-CG 3.88Å; I634-M690 HydrophobicContact CG1-CG 4.47Å; Q686-M690 PolarHBondContact O-N 2.89Å; C687-M690 PolarHBondContact O-N 2.86Å; M690-F692 PolarHBondContact O-N 3.12Å; M690-F693 WeakPolarHBondContact O-CB 3.29Å; M690-F693 PolarHBondContact O-N 3.09Å; M690-F693 HydrophobicContact SD-CD1 3.97Å; M690-L694 HydrophobicContact CE-CD1 4.46Å; M690-L694 HydrophobicContact CG-CD1 4.02Å; M690-L694 HydrophobicContact CG-CG 4.46Å; M690-L694 VanDerWaalsContact O-CG 3.24Å; M690-L694 WeakPolarHBondContact O-CG 3.39Å; M690-L694 PolarHBondContact O-N 3.25Å; M690-L694 HydrophobicContact SD-CD1 4.22Å; M690-L694 HydrophobicContact SD-CG 4.13Å
691	L	89.6	Confident	82	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-49.3	176	-177.3	71.4	0	0	0	111.3	A552 V555 I634 C687 P688 F693 L694 C695	A552-L691 HydrophobicContact CB-CD1 3.66Å; V555-L691 HydrophobicContact CB-CD1 4.39Å; V555-L691 HydrophobicContact CG1-CD1 4.36Å; V555-L691 HydrophobicContact CG1-CD2 4.35Å; I634-L691 HydrophobicContact CG2-CD1 3.99Å; C687-L691 PolarHBondContact O-N 3.39Å; P688-L691 PolarHBondContact O-N 2.66Å; L691-F693 PolarHBondContact O-N 2.92Å; L691-L694 PolarHBondContact O-N 3.33Å; L691-C695 PolarHBondContact O-N 2.82Å; L691-C695 PolarHBondContact O-SG 3.12Å
692	F	89.6	Confident	82.5	Confident	60 Å²	60	45.3 Å²	45.3	26%	0.263	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-35.4	179.5	-58.9	-35.2	0	0	0	113.1	P688 M690 L694 R696 Y799	P688-F692 HydrophobicContact CB-CE2 3.98Å; P688-F692 HydrophobicContact CB-CZ 4.44Å; P688-F692 WeakPolarHBondContact O-CD2 3.14Å; P688-F692 WeakPolarHBondContact O-CG 3.48Å; P688-F692 PolarHBondContact O-N 3.03Å; M690-F692 PolarHBondContact O-N 3.12Å; F692-L694 VanDerWaalsContact C-N 3.31Å; F692-R696 WeakPolarHBondContact O-CB 3.29Å; F692-R696 WeakPolarHBondContact O-CD 3.42Å; F692-R696 VanDerWaalsContact O-CG 3.25Å; F692-R696 WeakPolarHBondContact O-CG 3.43Å; F692-R696 PolarHBondContact O-N 3.31Å; F692-R696 VanDerWaalsContact O-N 3.12Å; F692-Y799 HydrophobicContact CB-CD1 4.32Å; F692-Y799 HydrophobicContact CB-CE1 3.91Å; F692-Y799 AromaticContact CD1-CD1 3.96Å; F692-Y799 HydrophobicContact CD1-CD1 3.96Å; F692-Y799 AromaticContact CD1-CD2 3.78Å; F692-Y799 HydrophobicContact CD1-CD2 3.78Å; F692-Y799 AromaticContact CD1-CE1 3.51Å; F692-Y799 HydrophobicContact CD1-CE1 3.51Å; F692-Y799 AromaticContact CD1-CE2 3.33Å; F692-Y799 HydrophobicContact CD1-CE2 3.33Å; F692-Y799 HydrophobicContact CD1-CG 4.08Å; F692-Y799 AromaticContact CD1-CZ 3.17Å; F692-Y799 HydrophobicContact CD2-CE1 4.35Å; F692-Y799 AromaticContact CE1-CD2 3.88Å; F692-Y799 HydrophobicContact CE1-CD2 3.88Å; F692-Y799 HydrophobicContact CE1-CE1 4.12Å; F692-Y799 AromaticContact CE1-CE2 3.13Å; F692-Y799 HydrophobicContact CE1-CE2 3.13Å; F692-Y799 AromaticContact CE1-CZ 3.28Å; F692-Y799 WeakPolarHBondContact CE1-OH 3.37Å; F692-Y799 WeakPolarHBondContact CE2-OH 3.38Å; F692-Y799 HydrophobicContact CG-CD1 4.33Å; F692-Y799 AromaticContact CG-CE1 3.66Å; F692-Y799 HydrophobicContact CG-CE1 3.66Å; F692-Y799 HydrophobicContact CG-CE2 4.23Å; F692-Y799 AromaticContact CG-CZ 3.6Å; F692-Y799 AromaticContact CZ-CE2 3.9Å; F692-Y799 HydrophobicContact CZ-CE2 3.9Å; F692-Y799 AromaticContact CZ-CZ 3.78Å; F692-Y799 VanDerWaalsContact CZ-OH 3.3Å; F692-Y799 WeakPolarHBondContact CZ-OH 3.06Å
693	F	92.3	Very high	83.3	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-44.3	172.6	172.7	-107.5	0	0	0	111.2	L456 Y459 K460 W476 L477 E689 M690 L691 R696 M697	L456-F693 HydrophobicContact CD2-CE2 4.32Å; Y459-F693 HydrophobicContact CD2-CE2 4.24Å; Y459-F693 HydrophobicContact CG-CE2 4.48Å; K460-F693 HydrophobicContact CB-CD2 4Å; K460-F693 HydrophobicContact CB-CE2 4.46Å; W476-F693 AromaticContact CH2-CD1 3.89Å; W476-F693 HydrophobicContact CH2-CD1 3.89Å; W476-F693 AromaticContact CH2-CE1 3.85Å; W476-F693 HydrophobicContact CH2-CE1 3.85Å; W476-F693 HydrophobicContact CZ3-CD1 4.4Å; W476-F693 HydrophobicContact CZ3-CE1 4.1Å; W476-F693 HydrophobicContact CZ3-CZ 4.38Å; L477-F693 HydrophobicContact CD1-CE1 4.17Å; L477-F693 HydrophobicContact CD1-CZ 4.04Å; L477-F693 HydrophobicContact CD2-CZ 4.47Å; E689-F693 VanDerWaalsContact O-CB 3.27Å; E689-F693 WeakPolarHBondContact O-CB 3.32Å; E689-F693 PolarHBondContact O-N 2.79Å; M690-F693 WeakPolarHBondContact O-CB 3.29Å; M690-F693 PolarHBondContact O-N 3.09Å; M690-F693 HydrophobicContact SD-CD1 3.97Å; L691-F693 PolarHBondContact O-N 2.92Å; F693-R696 PolarHBondContact O-N 3.33Å; F693-M697 HydrophobicContact CD1-CE 3.71Å; F693-M697 HydrophobicContact CE1-CE 3.08Å; F693-M697 HydrophobicContact CE2-CE 4.23Å; F693-M697 HydrophobicContact CG-CE 4.5Å; F693-M697 HydrophobicContact CZ-CE 3.39Å; F693-M697 WeakPolarHBondContact O-CG 3.33Å
694	L	94.3	Very high	84.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-47.7	177.6	-68.1	168.8	0	0	0	112.3	F545 E548 A552 L629 I634 M690 L691 F692 R696 M697	F545-L694 HydrophobicContact CB-CD2 4.08Å; F545-L694 HydrophobicContact CD1-CD2 4.03Å; F545-L694 HydrophobicContact CG-CD2 4.41Å; E548-L694 HydrophobicContact CB-CD1 3.82Å; E548-L694 HydrophobicContact CB-CD2 3.65Å; E548-L694 HydrophobicContact CB-CG 4.33Å; A552-L694 HydrophobicContact CB-CB 3.56Å; A552-L694 HydrophobicContact CB-CD1 4.27Å; L629-L694 HydrophobicContact CD2-CD1 4.34Å; I634-L694 HydrophobicContact CD1-CD1 3.57Å; M690-L694 HydrophobicContact CE-CD1 4.46Å; M690-L694 HydrophobicContact CG-CD1 4.02Å; M690-L694 HydrophobicContact CG-CG 4.46Å; M690-L694 VanDerWaalsContact O-CG 3.24Å; M690-L694 WeakPolarHBondContact O-CG 3.39Å; M690-L694 PolarHBondContact O-N 3.25Å; M690-L694 HydrophobicContact SD-CD1 4.22Å; M690-L694 HydrophobicContact SD-CG 4.13Å; L691-L694 PolarHBondContact O-N 3.33Å; F692-L694 VanDerWaalsContact C-N 3.31Å; L694-R696 PolarHBondContact O-N 2.92Å; L694-M697 HydrophobicContact CD2-CE 4.28Å; L694-M697 HydrophobicContact CD2-SD 4.45Å; L694-M697 WeakPolarHBondContact O-CB 3.44Å; L694-M697 PolarHBondContact O-N 2.92Å
695	C	93.6	Very high	86.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-38.5	177.2	-66.7	0	0	0	0	112.4	A552 L691 M697 L698 A699 Y799	A552-C695 PolarHBondContact O-SG 3.02Å; A552-C695 VanDerWaalsContact O-SG 3.33Å; L691-C695 PolarHBondContact O-N 2.82Å; L691-C695 PolarHBondContact O-SG 3.12Å; C695-M697 PolarHBondContact O-N 3.35Å; C695-L698 PolarHBondContact O-N 2.97Å; C695-A699 PolarHBondContact O-N 3.34Å; C695-Y799 HydrophobicContact CB-CG 4.38Å
696	R	93.3	Very high	88.2	Confident	69 Å²	69	27.3 Å²	27.3	26%	0.26	13%	0.134	S	C	.	.	H	α-helix	trans	-67.7	-20	-179.6	-75.2	171.2	177.9	174.5	6.1	113.6	Y459 F692 F693 L694 L698 A699	Y459-R696 HydrophobicContact CD1-CB 4.01Å; Y459-R696 WeakPolarHBondContact CD1-O 3.47Å; Y459-R696 WeakPolarHBondContact CE1-O 3.35Å; Y459-R696 HydrophobicContact CG-CB 4.36Å; Y459-R696 WeakPolarHBondContact O-CD 3.45Å; Y459-R696 PolarHBondContact O-NH1 3.31Å; F692-R696 WeakPolarHBondContact O-CB 3.29Å; F692-R696 WeakPolarHBondContact O-CD 3.42Å; F692-R696 VanDerWaalsContact O-CG 3.25Å; F692-R696 WeakPolarHBondContact O-CG 3.43Å; F692-R696 PolarHBondContact O-N 3.31Å; F692-R696 VanDerWaalsContact O-N 3.12Å; F693-R696 PolarHBondContact O-N 3.33Å; L694-R696 PolarHBondContact O-N 2.92Å; R696-L698 VanDerWaalsContact C-N 3.31Å; R696-L698 PolarHBondContact O-N 2.58Å; R696-A699 PolarHBondContact O-N 3.02Å
697	M	94.2	Very high	90	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.049	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-32.6	178.3	-62.4	-167	178.5	0	0	113	Y459 V541 T542 F545 A549 F693 L694 C695	Y459-M697 HydrophobicContact CD2-CG 3.82Å; Y459-M697 HydrophobicContact CE2-CB 4.38Å; Y459-M697 HydrophobicContact CE2-CG 3.92Å; Y459-M697 HydrophobicContact CG-CG 4.36Å; V541-M697 HydrophobicContact CG1-CE 4.44Å; T542-M697 HydrophobicContact CG2-CB 3.84Å; F545-M697 HydrophobicContact CB-CE 4Å; F545-M697 HydrophobicContact CB-SD 3.67Å; F545-M697 HydrophobicContact CD2-CE 4.1Å; F545-M697 HydrophobicContact CG-CE 4.03Å; F545-M697 HydrophobicContact CG-SD 4.34Å; A549-M697 HydrophobicContact CB-CB 4.26Å; F693-M697 HydrophobicContact CD1-CE 3.71Å; F693-M697 HydrophobicContact CE1-CE 3.08Å; F693-M697 HydrophobicContact CE2-CE 4.23Å; F693-M697 HydrophobicContact CG-CE 4.5Å; F693-M697 HydrophobicContact CZ-CE 3.39Å; F693-M697 WeakPolarHBondContact O-CG 3.33Å; L694-M697 HydrophobicContact CD2-CE 4.28Å; L694-M697 HydrophobicContact CD2-SD 4.45Å; L694-M697 WeakPolarHBondContact O-CB 3.44Å; L694-M697 PolarHBondContact O-N 2.92Å; C695-M697 PolarHBondContact O-N 3.35Å
698	L	93.8	Very high	91.6	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-97.2	-13.3	177.5	-67.3	177.7	0	0	0	113.3	T542 I546 A549 V550 L603 L607 C695 R696 G700 H701 L702	T542-L698 HydrophobicContact CG2-CD2 4.5Å; I546-L698 HydrophobicContact CD1-CD2 3.9Å; A549-L698 HydrophobicContact CB-CD1 4.05Å; A549-L698 HydrophobicContact CB-CG 4.06Å; V550-L698 HydrophobicContact CG2-CD1 4.04Å; L603-L698 HydrophobicContact CD2-CD1 4.19Å; L607-L698 HydrophobicContact CD2-CD1 4.25Å; L607-L698 HydrophobicContact CD2-CD2 4.09Å; C695-L698 PolarHBondContact O-N 2.97Å; R696-L698 VanDerWaalsContact C-N 3.31Å; R696-L698 PolarHBondContact O-N 2.58Å; L698-G700 PolarHBondContact O-N 3.25Å; L698-H701 PolarHBondContact O-N 3.27Å; L698-L702 HydrophobicContact CB-CD1 4.07Å; L698-L702 PolarHBondContact O-N 3.4Å
699	A	93.2	Very high	92.6	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-57.8	-35.2	-175.4	0	0	0	0	0	113.5	C695 R696 H701 R703 L798	C695-A699 PolarHBondContact O-N 3.34Å; R696-A699 PolarHBondContact O-N 3.02Å; A699-H701 PolarHBondContact O-N 3.37Å; A699-R703 WeakPolarHBondContact O-CB 3.5Å; A699-R703 PolarHBondContact O-N 3.34Å; A699-R703 PolarHBondContact O-NH1 3.43Å; A699-L798 HydrophobicContact CB-CD2 4.07Å
700	G	92.6	Very high	93.1	Very high	13 Å²	13	14.8 Å²	14.8	13%	0.134	7%	0.073	C	C	.	.	H	α-helix	trans	-57.8	-49.6	177.5	0	0	0	0	0	112.9	L698 A704 S745	L698-G700 PolarHBondContact O-N 3.25Å; G700-A704 WeakPolarHBondContact O-CB 3.48Å; G700-A704 PolarHBondContact O-N 3.35Å; G700-A704 VanDerWaalsContact O-N 3.15Å; G700-S745 WeakPolarHBondContact CA-OG 3.37Å; G700-S745 WeakPolarHBondContact O-CB 3.43Å; G700-S745 PolarHBondContact O-OG 3.27Å
701	H	92.8	Very high	93.3	Very high	30 Å²	30	14.3 Å²	14.3	14%	0.139	7%	0.073	C	C	.	.	H	α-helix	trans	-69	-50.3	179.3	172.1	69.6	0	0	0	112.1	L606 L698 A699 R703 A704 L705	L606-H701 PolarHBondContact O-NE2 3.08Å; L698-H701 PolarHBondContact O-N 3.27Å; A699-H701 PolarHBondContact O-N 3.37Å; H701-R703 VanDerWaalsContact C-N 3.29Å; H701-R703 PolarHBondContact O-N 3.21Å; H701-A704 WeakPolarHBondContact O-CB 3.47Å; H701-A704 PolarHBondContact O-N 2.83Å; H701-L705 PolarHBondContact O-N 2.87Å
702	L	95.1	Very high	93.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-38.9	-179.3	-68.4	172.9	0	0	0	111.8	L603 L698 L705 C706 V794 L798	L603-L702 HydrophobicContact CD1-CD1 4.22Å; L603-L702 HydrophobicContact CD1-CD2 3.78Å; L698-L702 HydrophobicContact CB-CD1 4.07Å; L698-L702 PolarHBondContact O-N 3.4Å; L702-L705 WeakPolarHBondContact O-CB 3.43Å; L702-L705 PolarHBondContact O-N 3.42Å; L702-C706 PolarHBondContact O-N 2.93Å; L702-C706 PolarHBondContact O-SG 3.16Å; L702-V794 HydrophobicContact CB-CG1 4.34Å; L702-V794 HydrophobicContact CD2-CG1 4.13Å; L702-V794 WeakPolarHBondContact O-CG1 3.37Å; L702-L798 HydrophobicContact CB-CD2 3.47Å; L702-L798 VanDerWaalsContact CB-CD2 3.47Å; L702-L798 HydrophobicContact CB-CG 3.94Å; L702-L798 HydrophobicContact CD1-CD2 4.33Å
703	R	95.1	Very high	93.1	Very high	12 Å²	12	14.8 Å²	14.8	5%	0.045	8%	0.078	C	C	.	.	H	α-helix	trans	-70.5	-37.9	177.3	-174	-175.9	-53	109.8	-4.3	112.4	A699 H701 L705 C706 W707 H742 E744 S745 L798	A699-R703 WeakPolarHBondContact O-CB 3.5Å; A699-R703 PolarHBondContact O-N 3.34Å; A699-R703 PolarHBondContact O-NH1 3.43Å; H701-R703 VanDerWaalsContact C-N 3.29Å; H701-R703 PolarHBondContact O-N 3.21Å; R703-L705 VanDerWaalsContact C-N 3.27Å; R703-L705 PolarHBondContact O-N 3.3Å; R703-C706 PolarHBondContact O-N 2.93Å; R703-W707 HydrophobicContact CG-CD2 3.98Å; R703-W707 VanDerWaalsContact CG-CE2 3.49Å; R703-W707 HydrophobicContact CG-CG 4.37Å; R703-W707 HydrophobicContact CG-CH2 4.43Å; R703-W707 HydrophobicContact CG-CZ2 3.78Å; R703-W707 WeakPolarHBondContact O-CB 3.29Å; R703-W707 PolarHBondContact O-N 2.76Å; R703-H742 VanDerWaalsContact CZ-ND1 3.3Å; R703-H742 PolarHBondContact NH2-ND1 3.45Å; R703-E744 IonicContact CZ-OE1 2.99Å; R703-E744 IonicContact NH1-OE1 2.66Å; R703-E744 PolarHBondContact NH1-OE1 2.82Å; R703-S745 WeakPolarHBondContact CB-OG 3.12Å; R703-S745 PolarHBondContact NH1-OG 3.33Å; R703-S745 VanDerWaalsContact NH1-OG 3.12Å; R703-L798 HydrophobicContact CB-CD1 4.24Å; R703-L798 HydrophobicContact CB-CD2 4.23Å
704	A	95.1	Very high	92.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-40.6	173.1	0	0	0	0	0	110.9	G700 H701 T708 S745 A750	G700-A704 WeakPolarHBondContact O-CB 3.48Å; G700-A704 PolarHBondContact O-N 3.35Å; G700-A704 VanDerWaalsContact O-N 3.15Å; H701-A704 WeakPolarHBondContact O-CB 3.47Å; H701-A704 PolarHBondContact O-N 2.83Å; A704-T708 VanDerWaalsContact O-CB 3.31Å; A704-T708 WeakPolarHBondContact O-CB 3.27Å; A704-T708 PolarHBondContact O-N 2.88Å; A704-T708 PolarHBondContact O-OG1 2.94Å; A704-S745 WeakPolarHBondContact CB-O 3.48Å; A704-A750 HydrophobicContact CB-CB 3.87Å
705	L	95	Very high	92.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-48.1	173.9	-176	62	0	0	0	111.6	L606 H701 L702 R703 W707 T708 T709 A754 T757 L758 V794	L606-L705 HydrophobicContact CD1-CD2 4.43Å; L606-L705 HydrophobicContact CD2-CD2 4.22Å; H701-L705 PolarHBondContact O-N 2.87Å; L702-L705 WeakPolarHBondContact O-CB 3.43Å; L702-L705 PolarHBondContact O-N 3.42Å; R703-L705 VanDerWaalsContact C-N 3.27Å; R703-L705 PolarHBondContact O-N 3.3Å; L705-W707 PolarHBondContact O-N 3.37Å; L705-T708 PolarHBondContact O-N 3.41Å; L705-T709 PolarHBondContact O-N 3.4Å; L705-T709 PolarHBondContact O-OG1 3.07Å; L705-T709 VanDerWaalsContact O-OG1 3.09Å; L705-A754 HydrophobicContact CD1-CB 4.29Å; L705-T757 HydrophobicContact CD1-CG2 4.22Å; L705-T757 HydrophobicContact CD2-CG2 4.22Å; L705-L758 HydrophobicContact CD1-CD2 3.88Å; L705-L758 HydrophobicContact CD1-CG 3.95Å; L705-V794 HydrophobicContact CB-CG1 4.38Å; L705-V794 HydrophobicContact CD2-CG1 4.02Å; L705-V794 HydrophobicContact CD2-CG2 3.81Å; L705-V794 HydrophobicContact CG-CG1 4.35Å; L705-V794 HydrophobicContact CG-CG2 4.29Å
706	C	93.9	Very high	91.4	Very high	7 Å²	7	29.1 Å²	29.1	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-49.4	176	-74.1	0	0	0	0	113	L702 R703 T708 T709 S710 V794	L702-C706 PolarHBondContact O-N 2.93Å; L702-C706 PolarHBondContact O-SG 3.16Å; R703-C706 PolarHBondContact O-N 2.93Å; C706-T708 VanDerWaalsContact C-N 3.31Å; C706-T708 PolarHBondContact O-N 2.89Å; C706-T709 WeakPolarHBondContact O-CB 3.19Å; C706-T709 PolarHBondContact O-N 3.14Å; C706-S710 PolarHBondContact O-N 2.95Å; C706-S710 PolarHBondContact O-OG 3.43Å; C706-V794 WeakPolarHBondContact SG-CG1 3.43Å
707	W	94.5	Very high	91	Very high	27 Å²	27	29.3 Å²	29.3	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-36.1	-179	-68.6	-4.5	0	0	0	111.8	R703 L705 T709 S710 A711 L732 T735 A736 K739 H742	R703-W707 HydrophobicContact CG-CD2 3.98Å; R703-W707 VanDerWaalsContact CG-CE2 3.49Å; R703-W707 HydrophobicContact CG-CG 4.37Å; R703-W707 HydrophobicContact CG-CH2 4.43Å; R703-W707 HydrophobicContact CG-CZ2 3.78Å; R703-W707 WeakPolarHBondContact O-CB 3.29Å; R703-W707 PolarHBondContact O-N 2.76Å; L705-W707 PolarHBondContact O-N 3.37Å; W707-T709 VanDerWaalsContact C-N 3.34Å; W707-S710 PolarHBondContact O-N 3.47Å; W707-A711 PolarHBondContact O-N 3.32Å; W707-L732 HydrophobicContact CB-CD2 3.33Å; W707-L732 HydrophobicContact CD2-CD2 4.42Å; W707-L732 HydrophobicContact CE3-CD2 3.89Å; W707-L732 HydrophobicContact CG-CD2 4.29Å; W707-T735 HydrophobicContact CD2-CG2 3.69Å; W707-T735 HydrophobicContact CE3-CG2 3.96Å; W707-T735 HydrophobicContact CG-CG2 4.18Å; W707-T735 HydrophobicContact CH2-CG2 4.14Å; W707-T735 HydrophobicContact CZ2-CG2 3.89Å; W707-T735 HydrophobicContact CZ3-CG2 4.18Å; W707-A736 HydrophobicContact CH2-CB 4.18Å; W707-A736 HydrophobicContact CZ3-CB 4.03Å; W707-K739 HydrophobicContact CZ2-CD 3.97Å; W707-H742 HydrophobicContact CH2-CB 3.81Å; W707-H742 HydrophobicContact CZ2-CB 4.22Å
708	T	95.1	Very high	90.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-42.8	173.8	-56.6	0	0	0	0	110.8	A704 L705 C706 S710 A711 L712 I728 A754 V755 L758	A704-T708 VanDerWaalsContact O-CB 3.31Å; A704-T708 WeakPolarHBondContact O-CB 3.27Å; A704-T708 PolarHBondContact O-N 2.88Å; A704-T708 PolarHBondContact O-OG1 2.94Å; L705-T708 PolarHBondContact O-N 3.41Å; C706-T708 VanDerWaalsContact C-N 3.31Å; C706-T708 PolarHBondContact O-N 2.89Å; T708-S710 VanDerWaalsContact C-N 3.35Å; T708-S710 PolarHBondContact O-N 3.35Å; T708-A711 PolarHBondContact O-N 2.92Å; T708-L712 WeakPolarHBondContact O-CG 3.47Å; T708-L712 PolarHBondContact O-N 3.48Å; T708-I728 HydrophobicContact CG2-CD1 4.16Å; T708-I728 HydrophobicContact CG2-CG1 4.39Å; T708-I728 HydrophobicContact CG2-CG2 3.73Å; T708-A754 HydrophobicContact CG2-CB 4.22Å; T708-A754 VanDerWaalsContact OG1-CB 3.31Å; T708-A754 WeakPolarHBondContact OG1-CB 3.48Å; T708-V755 HydrophobicContact CG2-CG2 4.05Å; T708-L758 HydrophobicContact CG2-CD1 3.52Å
709	T	93.2	Very high	90.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-42.1	175.2	-57.6	0	0	0	0	111.9	L705 C706 W707 L712 R787 L790	L705-T709 PolarHBondContact O-N 3.4Å; L705-T709 PolarHBondContact O-OG1 3.07Å; L705-T709 VanDerWaalsContact O-OG1 3.09Å; C706-T709 WeakPolarHBondContact O-CB 3.19Å; C706-T709 PolarHBondContact O-N 3.14Å; W707-T709 VanDerWaalsContact C-N 3.34Å; T709-L712 WeakPolarHBondContact O-CB 3.45Å; T709-L712 PolarHBondContact O-N 3.14Å; T709-R787 HydrophobicContact CG2-CB 4.46Å; T709-L790 HydrophobicContact CG2-CB 4.49Å; T709-L790 HydrophobicContact CG2-CD2 3.83Å; T709-L790 HydrophobicContact CG2-CG 4.17Å
710	S	91.4	Very high	90.4	Very high	37 Å²	37	34.8 Å²	34.8	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-67.5	-34.4	175.9	-55.4	0	0	0	0	112.7	C706 W707 T708 L712 D713 Q791	C706-S710 PolarHBondContact O-N 2.95Å; C706-S710 PolarHBondContact O-OG 3.43Å; W707-S710 PolarHBondContact O-N 3.47Å; T708-S710 VanDerWaalsContact C-N 3.35Å; T708-S710 PolarHBondContact O-N 3.35Å; S710-L712 PolarHBondContact O-N 3.48Å; S710-D713 WeakPolarHBondContact O-CB 3.48Å; S710-D713 PolarHBondContact O-N 3.36Å; S710-Q791 PolarHBondContact OG-NE2 3.34Å; S710-Q791 PolarHBondContact OG-OE1 2.93Å
711	A	91.4	Very high	90.2	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-22.5	176.5	0	0	0	0	0	112.8	W707 T708 D713 M714 M715 I728 D731	W707-A711 PolarHBondContact O-N 3.32Å; T708-A711 PolarHBondContact O-N 2.92Å; A711-D713 PolarHBondContact O-N 3.19Å; A711-M714 PolarHBondContact O-N 2.96Å; A711-M714 VanDerWaalsContact O-N 3.14Å; A711-M715 WeakPolarHBondContact O-CG 3.37Å; A711-I728 HydrophobicContact CB-CD1 3.75Å; A711-D731 HydrophobicContact CB-CB 4.21Å
712	L	90.7	Very high	89.9	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.7	175.3	-58.2	-175.2	0	0	0	113.4	T708 T709 S710 M714 M715 F724 L758 V763 L764 V777	T708-L712 WeakPolarHBondContact O-CG 3.47Å; T708-L712 PolarHBondContact O-N 3.48Å; T709-L712 WeakPolarHBondContact O-CB 3.45Å; T709-L712 PolarHBondContact O-N 3.14Å; S710-L712 PolarHBondContact O-N 3.48Å; L712-M714 PolarHBondContact O-N 2.93Å; L712-M715 PolarHBondContact O-N 3.07Å; L712-M715 VanDerWaalsContact O-N 3.15Å; L712-F724 HydrophobicContact CD2-CZ 3.8Å; L712-L758 HydrophobicContact CD1-CD1 4.25Å; L712-V763 HydrophobicContact CD1-CG1 3.55Å; L712-L764 HydrophobicContact CD1-CD2 4.44Å; L712-L764 HydrophobicContact CD2-CD2 3.94Å; L712-V777 HydrophobicContact CB-CG2 4.34Å; L712-V777 HydrophobicContact CD2-CG2 4.38Å
713	D	85.6	Confident	89.7	Confident	77 Å²	77	43.1 Å²	43.1	41%	0.412	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.2	175.6	-67.8	-37.3	0	0	0	112.5	S710 A711 R787	S710-D713 WeakPolarHBondContact O-CB 3.48Å; S710-D713 PolarHBondContact O-N 3.36Å; A711-D713 PolarHBondContact O-N 3.19Å; D713-R787 IonicContact OD1-CZ 2.74Å; D713-R787 IonicContact OD1-NE 2.7Å; D713-R787 PolarHBondContact OD1-NE 2.92Å; D713-R787 IonicContact OD1-NH2 3.12Å; D713-R787 PolarHBondContact OD1-NH2 2.86Å
714	M	84.1	Confident	89.5	Confident	131 Å²	131	42.7 Å²	42.7	65%	0.645	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-96.9	6.7	-179.1	-59	-60.7	-59.5	0	0	113.1	A711 L712	A711-M714 PolarHBondContact O-N 2.96Å; A711-M714 VanDerWaalsContact O-N 3.14Å; L712-M714 PolarHBondContact O-N 2.93Å
715	M	83.8	Confident	89.4	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.064	26%	0.255	C	S	.	.			trans	-115.8	85.8	-169.6	-61.3	-69.5	-87.7	0	0	111.2	A711 L712 L719 F724 R727	A711-M715 WeakPolarHBondContact O-CG 3.37Å; L712-M715 PolarHBondContact O-N 3.07Å; L712-M715 VanDerWaalsContact O-N 3.15Å; M715-L719 HydrophobicContact CE-CD1 3.62Å; M715-L719 HydrophobicContact SD-CD1 4.33Å; M715-F724 HydrophobicContact CE-CD2 3.23Å; M715-F724 HydrophobicContact CE-CE2 3.23Å; M715-F724 HydrophobicContact CE-CG 4Å; M715-F724 HydrophobicContact CE-CZ 3.99Å; M715-R727 HydrophobicContact SD-CG 4.45Å
716	D	75.4	Confident	89.2	Confident	160 Å²	160	48 Å²	48	86%	0.856	28%	0.281	S	S	*	.			trans	-87.7	-17.9	-175.7	-61.7	-40.7	0	0	0	114.1
717	S	84.6	Confident	89.2	Confident	72 Å²	72	53 Å²	53	50%	0.503	30%	0.299	S	S	.	.	S	Bend	trans	-128.1	146.4	-173.8	66.6	0	0	0	0	112.3	L719	S717-L719 PolarHBondContact O-N 2.96Å
718	P	88.8	Confident	89.2	Confident	78 Å²	78	51.7 Å²	51.7	51%	0.506	29%	0.294	S	S	.	.			trans	-67.8	132.4	176.4	28.6	-33.5	0	0	0	110.6	F774 L775	P718-F774 HydrophobicContact CB-CB 4.48Å; P718-L775 CarbonylContact C-O 3.53Å; P718-L775 WeakPolarHBondContact CA-O 3.49Å
719	L	91.2	Very high	89.2	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.099	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.5	-178.1	-66	174.7	0	0	0	111.1	M715 S717 E721 F724 F774 L775	M715-L719 HydrophobicContact CE-CD1 3.62Å; M715-L719 HydrophobicContact SD-CD1 4.33Å; S717-L719 PolarHBondContact O-N 2.96Å; L719-E721 PolarHBondContact O-N 3.1Å; L719-F724 HydrophobicContact CB-CB 4.25Å; L719-F724 HydrophobicContact CB-CD2 4.39Å; L719-F774 CarbonylContact O-C 3.54Å; L719-F774 VanDerWaalsContact O-CA 3.28Å; L719-F774 WeakPolarHBondContact O-CA 3.36Å; L719-L775 PolarHBondContact N-O 3.32Å; L719-L775 PolarHBondContact O-N 3.47Å
720	P	89.9	Confident	89.2	Confident	40 Å²	40	57.1 Å²	57.1	26%	0.26	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	140.1	169	-22.3	32.6	0	0	0	111	A722 E723 F724 V773 F774	P720-A722 VanDerWaalsContact C-N 3.26Å; P720-A722 PolarHBondContact O-N 2.88Å; P720-A722 VanDerWaalsContact O-N 3.15Å; P720-E723 HydrophobicContact CB-CB 4.36Å; P720-E723 PolarHBondContact O-N 3.33Å; P720-F724 WeakPolarHBondContact O-CB 3.23Å; P720-F724 PolarHBondContact O-N 3.17Å; P720-V773 WeakPolarHBondContact CA-O 3.37Å; P720-F774 HydrophobicContact CG-CD1 4.22Å; P720-F774 HydrophobicContact CG-CE1 3.72Å; P720-F774 HydrophobicContact CG-CZ 4.23Å
721	E	87.9	Confident	89.3	Confident	36 Å²	36	57.3 Å²	57.3	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-52.5	-41.5	-174.6	176.3	170.9	-175.9	0	0	113.4	L719 F724 L725 R756 V773 L775	L719-E721 PolarHBondContact O-N 3.1Å; E721-F724 PolarHBondContact O-N 3.43Å; E721-L725 HydrophobicContact CG-CD1 3.99Å; E721-L725 WeakPolarHBondContact O-CB 3.37Å; E721-L725 VanDerWaalsContact O-CG 3.29Å; E721-L725 WeakPolarHBondContact O-CG 3.41Å; E721-L725 PolarHBondContact O-N 3Å; E721-R756 IonicContact OE1-CZ 2.68Å; E721-R756 IonicContact OE1-NH1 2.87Å; E721-R756 PolarHBondContact OE1-NH1 3.32Å; E721-R756 IonicContact OE1-NH2 3.78Å; E721-R756 PolarHBondContact OE1-NH2 3.42Å; E721-V773 HydrophobicContact CB-CB 4.46Å; E721-V773 PolarHBondContact N-O 3.38Å; E721-L775 HydrophobicContact CB-CD1 4.19Å; E721-L775 HydrophobicContact CB-CG 4.2Å; E721-L775 HydrophobicContact CG-CD1 3.98Å; E721-L775 HydrophobicContact CG-CG 4.44Å
722	A	86.4	Confident	89.5	Confident	80 Å²	80	56.8 Å²	56.8	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-40.5	178.4	0	0	0	0	0	112.9	P720 S726	P720-A722 VanDerWaalsContact C-N 3.26Å; P720-A722 PolarHBondContact O-N 2.88Å; P720-A722 VanDerWaalsContact O-N 3.15Å; A722-S726 WeakPolarHBondContact O-CB 3.24Å; A722-S726 PolarHBondContact O-N 3.42Å
723	E	90.4	Very high	89.6	Confident	103 Å²	103	58 Å²	58	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-42.8	177.4	-173.3	179.3	170.6	0	0	110.8	P720 L725 S726 R727	P720-E723 HydrophobicContact CB-CB 4.36Å; P720-E723 PolarHBondContact O-N 3.33Å; E723-L725 PolarHBondContact O-N 3.22Å; E723-S726 PolarHBondContact O-N 3.02Å; E723-R727 WeakPolarHBondContact O-CB 3.3Å; E723-R727 PolarHBondContact O-N 3.14Å
724	F	92.1	Very high	89.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-49.9	175	-170.7	-80.1	0	0	0	111.1	L712 M715 L719 P720 E721 S726 R727 I728 V755 L764 L775	L712-F724 HydrophobicContact CD2-CZ 3.8Å; M715-F724 HydrophobicContact CE-CD2 3.23Å; M715-F724 HydrophobicContact CE-CE2 3.23Å; M715-F724 HydrophobicContact CE-CG 4Å; M715-F724 HydrophobicContact CE-CZ 3.99Å; L719-F724 HydrophobicContact CB-CB 4.25Å; L719-F724 HydrophobicContact CB-CD2 4.39Å; P720-F724 WeakPolarHBondContact O-CB 3.23Å; P720-F724 PolarHBondContact O-N 3.17Å; E721-F724 PolarHBondContact O-N 3.43Å; F724-S726 PolarHBondContact O-N 2.83Å; F724-R727 PolarHBondContact O-N 2.74Å; F724-I728 HydrophobicContact CD1-CG1 3.93Å; F724-I728 HydrophobicContact CE1-CD1 4.18Å; F724-I728 HydrophobicContact CE1-CG1 3.61Å; F724-I728 HydrophobicContact CZ-CD1 4.4Å; F724-I728 HydrophobicContact CZ-CG1 4.29Å; F724-I728 WeakPolarHBondContact O-CG1 3.4Å; F724-I728 PolarHBondContact O-N 3.43Å; F724-V755 HydrophobicContact CD1-CG1 4.24Å; F724-V755 HydrophobicContact CD1-CG2 4.27Å; F724-V755 HydrophobicContact CE1-CG1 4.14Å; F724-V755 HydrophobicContact CE1-CG2 3.93Å; F724-L764 HydrophobicContact CE1-CD1 3.79Å; F724-L764 HydrophobicContact CE2-CD2 4.26Å; F724-L764 HydrophobicContact CZ-CD1 3.8Å; F724-L764 HydrophobicContact CZ-CD2 3.76Å; F724-L764 HydrophobicContact CZ-CG 4.46Å; F724-L775 HydrophobicContact CB-CB 4.41Å; F724-L775 HydrophobicContact CB-CD1 4.16Å; F724-L775 HydrophobicContact CD1-CB 4.49Å; F724-L775 HydrophobicContact CD1-CD1 3.77Å; F724-L775 HydrophobicContact CD2-CB 3.91Å; F724-L775 HydrophobicContact CE1-CD1 4.36Å; F724-L775 HydrophobicContact CE2-CB 4.33Å; F724-L775 HydrophobicContact CG-CB 4.02Å; F724-L775 HydrophobicContact CG-CD1 3.93Å
725	L	91.3	Very high	90.4	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-43	177.4	-76.6	166.5	0	0	0	112.4	E721 E723 R727 H729 H752 V755	E721-L725 HydrophobicContact CG-CD1 3.99Å; E721-L725 WeakPolarHBondContact O-CB 3.37Å; E721-L725 VanDerWaalsContact O-CG 3.29Å; E721-L725 WeakPolarHBondContact O-CG 3.41Å; E721-L725 PolarHBondContact O-N 3Å; E723-L725 PolarHBondContact O-N 3.22Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.3Å; L725-H729 VanDerWaalsContact O-CB 3.31Å; L725-H729 WeakPolarHBondContact O-CB 3.43Å; L725-H729 PolarHBondContact O-N 3.41Å; L725-H752 HydrophobicContact CD2-CB 4.37Å; L725-V755 HydrophobicContact CD2-CB 3.85Å; L725-V755 HydrophobicContact CD2-CG1 4.02Å; L725-V755 HydrophobicContact CD2-CG2 3.89Å
726	S	92.4	Very high	90.7	Very high	80 Å²	80	52.6 Å²	52.6	56%	0.559	30%	0.303	S	S	*	.	H	α-helix	trans	-61.5	-39.5	177.2	-173.2	0	0	0	0	111.7	A722 E723 F724 S730	A722-S726 WeakPolarHBondContact O-CB 3.24Å; A722-S726 PolarHBondContact O-N 3.42Å; E723-S726 PolarHBondContact O-N 3.02Å; F724-S726 PolarHBondContact O-N 2.83Å; S726-S730 PolarHBondContact O-N 3Å
727	R	93.3	Very high	91.5	Very high	111 Å²	111	48.5 Å²	48.5	42%	0.419	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-48.8	179.2	-169.9	159.7	-178.2	176.8	-5.7	112	M715 E723 F724 L725 H729 S730 D731	M715-R727 HydrophobicContact SD-CG 4.45Å; E723-R727 WeakPolarHBondContact O-CB 3.3Å; E723-R727 PolarHBondContact O-N 3.14Å; F724-R727 PolarHBondContact O-N 2.74Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.3Å; R727-H729 VanDerWaalsContact C-N 3.3Å; R727-H729 PolarHBondContact O-N 3.41Å; R727-S730 WeakPolarHBondContact O-CB 3.35Å; R727-S730 PolarHBondContact O-N 3.33Å; R727-S730 VanDerWaalsContact O-N 3.08Å; R727-D731 PolarHBondContact O-N 3.29Å
728	I	94.8	Very high	91.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.1	-46	174	-67.8	-58.2	0	0	0	111	T708 A711 F724 S730 D731 L732 A751 V755	T708-I728 HydrophobicContact CG2-CD1 4.16Å; T708-I728 HydrophobicContact CG2-CG1 4.39Å; T708-I728 HydrophobicContact CG2-CG2 3.73Å; A711-I728 HydrophobicContact CB-CD1 3.75Å; F724-I728 HydrophobicContact CD1-CG1 3.93Å; F724-I728 HydrophobicContact CE1-CD1 4.18Å; F724-I728 HydrophobicContact CE1-CG1 3.61Å; F724-I728 HydrophobicContact CZ-CD1 4.4Å; F724-I728 HydrophobicContact CZ-CG1 4.29Å; F724-I728 WeakPolarHBondContact O-CG1 3.4Å; F724-I728 PolarHBondContact O-N 3.43Å; I728-S730 VanDerWaalsContact C-N 3.3Å; I728-S730 PolarHBondContact O-N 2.89Å; I728-D731 PolarHBondContact O-N 2.9Å; I728-L732 HydrophobicContact CG2-CD1 4.21Å; I728-L732 HydrophobicContact CG2-CG 4.32Å; I728-L732 VanDerWaalsContact O-CG 3.3Å; I728-L732 WeakPolarHBondContact O-CG 3.46Å; I728-L732 PolarHBondContact O-N 2.84Å; I728-A751 HydrophobicContact CG2-CB 4.24Å; I728-V755 HydrophobicContact CB-CG2 4.42Å; I728-V755 HydrophobicContact CG1-CG2 4.16Å; I728-V755 HydrophobicContact CG2-CG2 4.16Å
729	H	94.4	Very high	91.7	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.269	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-39.1	178.2	177.2	-112.3	0	0	0	112.5	L725 R727 C733 C746 E748 A751	L725-H729 VanDerWaalsContact O-CB 3.31Å; L725-H729 WeakPolarHBondContact O-CB 3.43Å; L725-H729 PolarHBondContact O-N 3.41Å; R727-H729 VanDerWaalsContact C-N 3.3Å; R727-H729 PolarHBondContact O-N 3.41Å; H729-C733 PolarHBondContact O-N 3.45Å; H729-C733 VanDerWaalsContact O-N 3.08Å; H729-C733 PolarHBondContact O-SG 3.29Å; H729-C746 PolarHBondContact CD2-O 2.92Å; H729-C746 PolarHBondContact NE2-O 3.44Å; H729-E748 PolarHBondContact NE2-N 2.87Å; H729-A751 HydrophobicContact CB-CB 4.03Å
730	S	93.7	Very high	91.4	Very high	57 Å²	57	60.8 Å²	60.8	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-48.7	172.6	-165	0	0	0	0	111.3	S726 R727 I728 L732 C733 D734	S726-S730 PolarHBondContact O-N 3Å; R727-S730 WeakPolarHBondContact O-CB 3.35Å; R727-S730 PolarHBondContact O-N 3.33Å; R727-S730 VanDerWaalsContact O-N 3.08Å; I728-S730 VanDerWaalsContact C-N 3.3Å; I728-S730 PolarHBondContact O-N 2.89Å; S730-L732 VanDerWaalsContact C-N 3.32Å; S730-L732 PolarHBondContact O-N 3.33Å; S730-C733 WeakPolarHBondContact O-CA 3.41Å; S730-C733 WeakPolarHBondContact O-CB 3.5Å; S730-C733 PolarHBondContact O-N 2.91Å; S730-D734 PolarHBondContact O-N 3.48Å
731	D	93.6	Very high	91.3	Very high	41 Å²	41	67 Å²	67	22%	0.219	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-38.2	-178.6	-66.4	-19.1	0	0	0	112.1	A711 R727 I728 D734 T735	A711-D731 HydrophobicContact CB-CB 4.21Å; R727-D731 PolarHBondContact O-N 3.29Å; I728-D731 PolarHBondContact O-N 2.9Å; D731-D734 PolarHBondContact O-N 3.4Å; D731-T735 VanDerWaalsContact O-CB 3.31Å; D731-T735 WeakPolarHBondContact O-CB 3.45Å; D731-T735 PolarHBondContact O-N 3.05Å; D731-T735 PolarHBondContact O-OG1 3.23Å
732	L	94.3	Very high	91.3	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-43.3	173.1	-65.3	178.9	0	0	0	111.6	W707 I728 S730 A736 C746 A751	W707-L732 HydrophobicContact CB-CD2 3.33Å; W707-L732 HydrophobicContact CD2-CD2 4.42Å; W707-L732 HydrophobicContact CE3-CD2 3.89Å; W707-L732 HydrophobicContact CG-CD2 4.29Å; I728-L732 HydrophobicContact CG2-CD1 4.21Å; I728-L732 HydrophobicContact CG2-CG 4.32Å; I728-L732 VanDerWaalsContact O-CG 3.3Å; I728-L732 WeakPolarHBondContact O-CG 3.46Å; I728-L732 PolarHBondContact O-N 2.84Å; S730-L732 VanDerWaalsContact C-N 3.32Å; S730-L732 PolarHBondContact O-N 3.33Å; L732-A736 WeakPolarHBondContact O-CB 3.4Å; L732-A736 PolarHBondContact O-N 2.9Å; L732-C746 HydrophobicContact CB-CB 3.83Å; L732-A751 HydrophobicContact CD1-CB 3.84Å
733	C	93.3	Very high	91.4	Very high	26 Å²	26	65 Å²	65	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-44.6	176.3	-73	0	0	0	0	111.4	H729 S730 A736 N737	H729-C733 PolarHBondContact O-N 3.45Å; H729-C733 VanDerWaalsContact O-N 3.08Å; H729-C733 PolarHBondContact O-SG 3.29Å; S730-C733 WeakPolarHBondContact O-CA 3.41Å; S730-C733 WeakPolarHBondContact O-CB 3.5Å; S730-C733 PolarHBondContact O-N 2.91Å; C733-A736 PolarHBondContact O-N 2.99Å; C733-N737 WeakPolarHBondContact O-CB 2.99Å; C733-N737 PolarHBondContact O-N 3.49Å; C733-N737 PolarHBondContact O-ND2 2.88Å; C733-N737 VanDerWaalsContact O-ND2 3.11Å
734	D	93.4	Very high	91.4	Very high	73 Å²	73	61.8 Å²	61.8	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-42.6	179.1	-70.1	-27.3	0	0	0	111.1	S730 D731 A736 N737 Q738	S730-D734 PolarHBondContact O-N 3.48Å; D731-D734 PolarHBondContact O-N 3.4Å; D734-A736 PolarHBondContact O-N 3.36Å; D734-N737 PolarHBondContact O-N 3.48Å; D734-Q738 WeakPolarHBondContact O-CB 3.42Å; D734-Q738 VanDerWaalsContact O-CG 3.23Å; D734-Q738 WeakPolarHBondContact O-CG 3.37Å; D734-Q738 PolarHBondContact O-N 3.34Å
735	T	92.7	Very high	91.4	Very high	35 Å²	35	61.7 Å²	61.7	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-44.5	174.7	-59	0	0	0	0	111.7	W707 D731 K739	W707-T735 HydrophobicContact CD2-CG2 3.69Å; W707-T735 HydrophobicContact CE3-CG2 3.96Å; W707-T735 HydrophobicContact CG-CG2 4.18Å; W707-T735 HydrophobicContact CH2-CG2 4.14Å; W707-T735 HydrophobicContact CZ2-CG2 3.89Å; W707-T735 HydrophobicContact CZ3-CG2 4.18Å; D731-T735 VanDerWaalsContact O-CB 3.31Å; D731-T735 WeakPolarHBondContact O-CB 3.45Å; D731-T735 PolarHBondContact O-N 3.05Å; D731-T735 PolarHBondContact O-OG1 3.23Å; T735-K739 HydrophobicContact CG2-CD 4.14Å; T735-K739 WeakPolarHBondContact O-CB 3.39Å; T735-K739 WeakPolarHBondContact O-CG 3.42Å; T735-K739 PolarHBondContact O-N 3.29Å
736	A	91.8	Very high	91.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-40.4	176.6	0	0	0	0	0	112	W707 L732 C733 D734 K739 K740 R741 Y743 C746	W707-A736 HydrophobicContact CH2-CB 4.18Å; W707-A736 HydrophobicContact CZ3-CB 4.03Å; L732-A736 WeakPolarHBondContact O-CB 3.4Å; L732-A736 PolarHBondContact O-N 2.9Å; C733-A736 PolarHBondContact O-N 2.99Å; D734-A736 PolarHBondContact O-N 3.36Å; A736-K739 PolarHBondContact O-N 3.08Å; A736-K740 WeakPolarHBondContact O-CA 3.36Å; A736-K740 PolarHBondContact O-N 3.12Å; A736-R741 PolarHBondContact O-N 3.27Å; A736-Y743 HydrophobicContact CB-CD1 3.73Å; A736-Y743 HydrophobicContact CB-CE1 4.08Å; A736-C746 HydrophobicContact CB-CB 4.38Å
737	N	91.2	Very high	91.3	Very high	74 Å²	74	57.5 Å²	57.5	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-43	177.4	-75.5	-32.2	0	0	0	112.3	C733 D734 K740 Y743	C733-N737 WeakPolarHBondContact O-CB 2.99Å; C733-N737 PolarHBondContact O-N 3.49Å; C733-N737 PolarHBondContact O-ND2 2.88Å; C733-N737 VanDerWaalsContact O-ND2 3.11Å; D734-N737 PolarHBondContact O-N 3.48Å; N737-K740 WeakPolarHBondContact O-CG 3.22Å; N737-K740 PolarHBondContact O-N 3.42Å; N737-Y743 WeakPolarHBondContact OD1-CE1 3.23Å
738	Q	90.8	Very high	91.1	Very high	157 Å²	157	57.5 Å²	57.5	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-62	-45.1	175.6	-72.9	172.8	15.9	0	0	111.3	D734 K740	D734-Q738 WeakPolarHBondContact O-CB 3.42Å; D734-Q738 VanDerWaalsContact O-CG 3.23Å; D734-Q738 WeakPolarHBondContact O-CG 3.37Å; D734-Q738 PolarHBondContact O-N 3.34Å; Q738-K740 VanDerWaalsContact C-N 3.29Å; Q738-K740 PolarHBondContact O-N 3.18Å
739	K	87.3	Confident	90.7	Very high	111 Å²	111	62.7 Å²	62.7	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-76.8	-13.9	178.8	-67.9	178.5	-178.9	175.3	0	113.5	W707 T735 A736 R741	W707-K739 HydrophobicContact CZ2-CD 3.97Å; T735-K739 HydrophobicContact CG2-CD 4.14Å; T735-K739 WeakPolarHBondContact O-CB 3.39Å; T735-K739 WeakPolarHBondContact O-CG 3.42Å; T735-K739 PolarHBondContact O-N 3.29Å; A736-K739 PolarHBondContact O-N 3.08Å; K739-R741 PolarHBondContact O-N 3.39Å; K739-R741 VanDerWaalsContact O-N 3.1Å
740	K	85.6	Confident	90.5	Very high	160 Å²	160	60.6 Å²	60.6	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	29.1	-172.9	-61.1	-178.1	179.5	176.9	0	113.6	A736 N737 Q738 Y743	A736-K740 WeakPolarHBondContact O-CA 3.36Å; A736-K740 PolarHBondContact O-N 3.12Å; N737-K740 WeakPolarHBondContact O-CG 3.22Å; N737-K740 PolarHBondContact O-N 3.42Å; Q738-K740 VanDerWaalsContact C-N 3.29Å; Q738-K740 PolarHBondContact O-N 3.18Å; K740-Y743 WeakPolarHBondContact CA-OH 3.38Å
741	R	86.4	Confident	90.4	Very high	169 Å²	169	58 Å²	58	64%	0.638	28%	0.275	S	S	*	.			trans	-153.9	163.8	-173.2	-68.2	-173.3	-177.9	175.8	4.1	109.4	A736 K739 Y743	A736-R741 PolarHBondContact O-N 3.27Å; K739-R741 PolarHBondContact O-N 3.39Å; K739-R741 VanDerWaalsContact O-N 3.1Å; R741-Y743 VanDerWaalsContact C-N 3.35Å; R741-Y743 PolarHBondContact O-N 3.41Å
742	H	88.1	Confident	90.3	Very high	52 Å²	52	57.5 Å²	57.5	24%	0.241	27%	0.271	C	S	.	.			trans	63.7	34.9	172.7	-51.4	-59.6	0	0	0	115	R703 W707 E744 S745	R703-H742 VanDerWaalsContact CZ-ND1 3.3Å; R703-H742 PolarHBondContact NH2-ND1 3.45Å; W707-H742 HydrophobicContact CH2-CB 3.81Å; W707-H742 HydrophobicContact CZ2-CB 4.22Å; H742-E744 WeakPolarHBondContact CA-OE2 3.2Å; H742-E744 IonicContact CG-OE1 2.72Å; H742-E744 IonicContact ND1-OE1 2.69Å; H742-E744 PolarHBondContact ND1-OE1 2.97Å; H742-E744 PolarHBondContact O-N 2.93Å; H742-E744 VanDerWaalsContact O-N 3.16Å; H742-S745 PolarHBondContact O-N 2.79Å; H742-S745 VanDerWaalsContact O-N 3.12Å
743	Y	89.7	Confident	90.1	Very high	22 Å²	22	58.3 Å²	58.3	9%	0.086	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.3	-17.2	176.8	-63.2	-71.9	0	0	0	113	T528 V531 L532 A736 N737 K740 R741 S745 C746	T528-Y743 HydrophobicContact CG2-CD1 4.17Å; T528-Y743 WeakPolarHBondContact OG1-CD1 3.34Å; V531-Y743 HydrophobicContact CG2-CD2 4.11Å; L532-Y743 WeakPolarHBondContact CD2-O 3.45Å; A736-Y743 HydrophobicContact CB-CD1 3.73Å; A736-Y743 HydrophobicContact CB-CE1 4.08Å; N737-Y743 WeakPolarHBondContact OD1-CE1 3.23Å; K740-Y743 WeakPolarHBondContact CA-OH 3.38Å; R741-Y743 VanDerWaalsContact C-N 3.35Å; R741-Y743 PolarHBondContact O-N 3.41Å; Y743-S745 PolarHBondContact O-N 3.46Å; Y743-C746 PolarHBondContact O-N 3.48Å; Y743-C746 PolarHBondContact O-SG 2.87Å
744	E	88.9	Confident	90.1	Very high	36 Å²	36	57.1 Å²	57.1	17%	0.168	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.8	-19.2	173.2	69.8	-79.1	179.7	0	0	113.6	V531 R703 H742	V531-E744 HydrophobicContact CG1-CB 4.09Å; R703-E744 IonicContact CZ-OE1 2.99Å; R703-E744 IonicContact NH1-OE1 2.66Å; R703-E744 PolarHBondContact NH1-OE1 2.82Å; H742-E744 WeakPolarHBondContact CA-OE2 3.2Å; H742-E744 IonicContact CG-OE1 2.72Å; H742-E744 IonicContact ND1-OE1 2.69Å; H742-E744 PolarHBondContact ND1-OE1 2.97Å; H742-E744 PolarHBondContact O-N 2.93Å; H742-E744 VanDerWaalsContact O-N 3.16Å
745	S	91.8	Very high	90.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-92.5	-0.7	-177.6	-64.2	0	0	0	0	114.4	G700 R703 A704 H742 Y743	G700-S745 WeakPolarHBondContact CA-OG 3.37Å; G700-S745 WeakPolarHBondContact O-CB 3.43Å; G700-S745 PolarHBondContact O-OG 3.27Å; R703-S745 WeakPolarHBondContact CB-OG 3.12Å; R703-S745 PolarHBondContact NH1-OG 3.33Å; R703-S745 VanDerWaalsContact NH1-OG 3.12Å; A704-S745 WeakPolarHBondContact CB-O 3.48Å; H742-S745 PolarHBondContact O-N 2.79Å; H742-S745 VanDerWaalsContact O-N 3.12Å; Y743-S745 PolarHBondContact O-N 3.46Å
746	C	91.9	Very high	90	Very high	1 Å²	1	54 Å²	54	1%	0.007	25%	0.247	C	C	.	.			trans	-115.1	28.9	-176.5	66.5	0	0	0	0	114.2	H729 L732 A736 Y743	H729-C746 PolarHBondContact CD2-O 2.92Å; H729-C746 PolarHBondContact NE2-O 3.44Å; L732-C746 HydrophobicContact CB-CB 3.83Å; A736-C746 HydrophobicContact CB-CB 4.38Å; Y743-C746 PolarHBondContact O-N 3.48Å; Y743-C746 PolarHBondContact O-SG 2.87Å
747	S	90.5	Very high	90	Very high	23 Å²	23	54 Å²	54	16%	0.161	25%	0.248	C	C	.	.			trans	-74.6	153.6	171.3	66.4	0	0	0	0	111.9	E749 A750 A751	S747-E749 PolarHBondContact O-N 3.3Å; S747-A750 PolarHBondContact O-N 3.35Å; S747-A750 VanDerWaalsContact O-N 3.15Å; S747-A750 WeakPolarHBondContact OG-CB 3.46Å; S747-A750 PolarHBondContact OG-N 2.97Å; S747-A751 PolarHBondContact O-N 3.46Å
748	E	88.2	Confident	90.1	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.523	23%	0.229	S	C	.	.	H	α-helix	trans	-57.8	-38.5	172.2	-171.9	178.5	172.8	0	0	111.3	K334 H729 A751 H752	K334-E748 IonicContact NZ-OE1 3.53Å; K334-E748 PolarHBondContact NZ-OE1 3.47Å; K334-E748 IonicContact NZ-OE2 3.75Å; K334-E748 PolarHBondContact NZ-OE2 3.16Å; H729-E748 PolarHBondContact NE2-N 2.87Å; E748-A751 PolarHBondContact O-N 3.21Å; E748-H752 WeakPolarHBondContact O-CB 3.22Å; E748-H752 PolarHBondContact O-N 3.26Å
749	E	87.3	Confident	90.2	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-44.2	174.7	-65.6	-177.5	174.9	0	0	112	T293 S747 A751 H752 T753	T293-E749 HydrophobicContact CG2-CB 4.26Å; T293-E749 HydrophobicContact CG2-CG 4.27Å; S747-E749 PolarHBondContact O-N 3.3Å; E749-A751 PolarHBondContact O-N 2.68Å; E749-H752 PolarHBondContact O-N 3Å; E749-T753 WeakPolarHBondContact O-CB 3.42Å; E749-T753 PolarHBondContact O-N 2.83Å; E749-T753 PolarHBondContact O-OG1 3.5Å; E749-T753 VanDerWaalsContact O-OG1 3.06Å
750	A	90.1	Very high	90.3	Very high	13 Å²	13	40.1 Å²	40.1	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-41.7	177.3	0	0	0	0	0	111.8	A704 S747 T753 A754	A704-A750 HydrophobicContact CB-CB 3.87Å; S747-A750 PolarHBondContact O-N 3.35Å; S747-A750 VanDerWaalsContact O-N 3.15Å; S747-A750 WeakPolarHBondContact OG-CB 3.46Å; S747-A750 PolarHBondContact OG-N 2.97Å; A750-T753 PolarHBondContact O-N 3.18Å; A750-A754 VanDerWaalsContact O-CB 3.24Å; A750-A754 WeakPolarHBondContact O-CB 3.43Å; A750-A754 PolarHBondContact O-N 2.91Å
751	A	92.7	Very high	90.6	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-48.3	174	0	0	0	0	0	111.1	I728 H729 L732 S747 E748 E749 A754 V755	I728-A751 HydrophobicContact CG2-CB 4.24Å; H729-A751 HydrophobicContact CB-CB 4.03Å; L732-A751 HydrophobicContact CD1-CB 3.84Å; S747-A751 PolarHBondContact O-N 3.46Å; E748-A751 PolarHBondContact O-N 3.21Å; E749-A751 PolarHBondContact O-N 2.68Å; A751-A754 PolarHBondContact O-N 3.3Å; A751-V755 WeakPolarHBondContact O-CB 3.5Å; A751-V755 WeakPolarHBondContact O-CG2 3.28Å; A751-V755 PolarHBondContact O-N 3.23Å
752	H	90.2	Very high	90.8	Very high	32 Å²	32	25.1 Å²	25.1	15%	0.148	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-46.9	178.8	-171.5	-103.5	0	0	0	111.9	T293 L725 E748 E749 A754 V755 R756	T293-H752 PolarHBondContact O-CE1 3.44Å; T293-H752 PolarHBondContact O-ND1 3.33Å; T293-H752 VanDerWaalsContact O-ND1 3.09Å; L725-H752 HydrophobicContact CD2-CB 4.37Å; E748-H752 WeakPolarHBondContact O-CB 3.22Å; E748-H752 PolarHBondContact O-N 3.26Å; E749-H752 PolarHBondContact O-N 3Å; H752-A754 PolarHBondContact O-N 2.64Å; H752-V755 PolarHBondContact O-N 3.43Å; H752-R756 PolarHBondContact CE1-NE 3.05Å; H752-R756 PolarHBondContact NE2-NE 3.46Å; H752-R756 PolarHBondContact NE2-NH2 3.47Å; H752-R756 WeakPolarHBondContact O-CB 3.32Å; H752-R756 WeakPolarHBondContact O-CG 3.26Å; H752-R756 PolarHBondContact O-N 2.89Å
753	T	90.1	Very high	90.9	Very high	18 Å²	18	22.7 Å²	22.7	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-37.2	178.9	-58.5	0	0	0	0	112.4	P608 E749 A750 T757	P608-T753 HydrophobicContact CB-CG2 4.45Å; P608-T753 HydrophobicContact CG-CG2 4.48Å; E749-T753 WeakPolarHBondContact O-CB 3.42Å; E749-T753 PolarHBondContact O-N 2.83Å; E749-T753 PolarHBondContact O-OG1 3.5Å; E749-T753 VanDerWaalsContact O-OG1 3.06Å; A750-T753 PolarHBondContact O-N 3.18Å; T753-T757 WeakPolarHBondContact O-CB 3.5Å; T753-T757 PolarHBondContact O-N 3.1Å; T753-T757 PolarHBondContact O-OG1 3.18Å
754	A	93.8	Very high	91	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-51.4	174.8	0	0	0	0	0	111.3	L705 T708 A750 A751 H752 R756 T757 L758	L705-A754 HydrophobicContact CD1-CB 4.29Å; T708-A754 HydrophobicContact CG2-CB 4.22Å; T708-A754 VanDerWaalsContact OG1-CB 3.31Å; T708-A754 WeakPolarHBondContact OG1-CB 3.48Å; A750-A754 VanDerWaalsContact O-CB 3.24Å; A750-A754 WeakPolarHBondContact O-CB 3.43Å; A750-A754 PolarHBondContact O-N 2.91Å; A751-A754 PolarHBondContact O-N 3.3Å; H752-A754 PolarHBondContact O-N 2.64Å; A754-R756 VanDerWaalsContact C-N 3.32Å; A754-R756 PolarHBondContact O-N 3.28Å; A754-T757 WeakPolarHBondContact O-CB 3.34Å; A754-T757 PolarHBondContact O-N 3.06Å; A754-T757 VanDerWaalsContact O-N 3.08Å; A754-L758 WeakPolarHBondContact O-CG 3.28Å; A754-L758 PolarHBondContact O-N 3.26Å
755	V	93.2	Very high	91	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-42.5	177.5	170.9	0	0	0	0	111.4	T708 F724 L725 I728 A751 H752 T757 L758 I759 L764 L775	T708-V755 HydrophobicContact CG2-CG2 4.05Å; F724-V755 HydrophobicContact CD1-CG1 4.24Å; F724-V755 HydrophobicContact CD1-CG2 4.27Å; F724-V755 HydrophobicContact CE1-CG1 4.14Å; F724-V755 HydrophobicContact CE1-CG2 3.93Å; L725-V755 HydrophobicContact CD2-CB 3.85Å; L725-V755 HydrophobicContact CD2-CG1 4.02Å; L725-V755 HydrophobicContact CD2-CG2 3.89Å; I728-V755 HydrophobicContact CB-CG2 4.42Å; I728-V755 HydrophobicContact CG1-CG2 4.16Å; I728-V755 HydrophobicContact CG2-CG2 4.16Å; A751-V755 WeakPolarHBondContact O-CB 3.5Å; A751-V755 WeakPolarHBondContact O-CG2 3.28Å; A751-V755 PolarHBondContact O-N 3.23Å; H752-V755 PolarHBondContact O-N 3.43Å; V755-T757 VanDerWaalsContact C-N 3.33Å; V755-T757 PolarHBondContact O-N 2.73Å; V755-L758 PolarHBondContact O-N 2.87Å; V755-I759 HydrophobicContact CG1-CD1 3.95Å; V755-I759 WeakPolarHBondContact O-CG1 3.43Å; V755-I759 PolarHBondContact O-N 3.17Å; V755-L764 HydrophobicContact CG1-CD1 3.94Å; V755-L775 HydrophobicContact CG1-CD1 3.91Å
756	R	90.8	Very high	90.8	Very high	41 Å²	41	28 Å²	28	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-39.7	174.9	-70.3	-69	176.4	-169.7	-3.7	112.9	E721 H752 A754 L758 I759 D760	E721-R756 IonicContact OE1-CZ 2.68Å; E721-R756 IonicContact OE1-NH1 2.87Å; E721-R756 PolarHBondContact OE1-NH1 3.32Å; E721-R756 IonicContact OE1-NH2 3.78Å; E721-R756 PolarHBondContact OE1-NH2 3.42Å; H752-R756 PolarHBondContact CE1-NE 3.05Å; H752-R756 PolarHBondContact NE2-NE 3.46Å; H752-R756 PolarHBondContact NE2-NH2 3.47Å; H752-R756 WeakPolarHBondContact O-CB 3.32Å; H752-R756 WeakPolarHBondContact O-CG 3.26Å; H752-R756 PolarHBondContact O-N 2.89Å; A754-R756 VanDerWaalsContact C-N 3.32Å; A754-R756 PolarHBondContact O-N 3.28Å; R756-L758 VanDerWaalsContact C-N 3.33Å; R756-I759 PolarHBondContact O-N 3.18Å; R756-D760 PolarHBondContact O-N 3.32Å
757	T	92.2	Very high	90.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-37.2	177	-58	0	0	0	0	111.6	L384 R404 L606 L705 T753 A754 V755 D760 L761	L384-T757 HydrophobicContact CD2-CG2 4.02Å; R404-T757 PolarHBondContact NH2-OG1 2.91Å; L606-T757 HydrophobicContact CD2-CG2 4.01Å; L705-T757 HydrophobicContact CD1-CG2 4.22Å; L705-T757 HydrophobicContact CD2-CG2 4.22Å; T753-T757 WeakPolarHBondContact O-CB 3.5Å; T753-T757 PolarHBondContact O-N 3.1Å; T753-T757 PolarHBondContact O-OG1 3.18Å; A754-T757 WeakPolarHBondContact O-CB 3.34Å; A754-T757 PolarHBondContact O-N 3.06Å; A754-T757 VanDerWaalsContact O-N 3.08Å; V755-T757 VanDerWaalsContact C-N 3.33Å; V755-T757 PolarHBondContact O-N 2.73Å; T757-D760 PolarHBondContact O-N 2.9Å; T757-L761 HydrophobicContact CG2-CD1 4.19Å; T757-L761 WeakPolarHBondContact O-CB 3.35Å; T757-L761 WeakPolarHBondContact O-CG 3.43Å; T757-L761 PolarHBondContact O-N 2.89Å
758	L	93.6	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-33.6	173.8	-65.3	177.4	0	0	0	113	L705 T708 L712 A754 V755 R756 L761 G762 V763 L764 L790	L705-L758 HydrophobicContact CD1-CD2 3.88Å; L705-L758 HydrophobicContact CD1-CG 3.95Å; T708-L758 HydrophobicContact CG2-CD1 3.52Å; L712-L758 HydrophobicContact CD1-CD1 4.25Å; A754-L758 WeakPolarHBondContact O-CG 3.28Å; A754-L758 PolarHBondContact O-N 3.26Å; V755-L758 PolarHBondContact O-N 2.87Å; R756-L758 VanDerWaalsContact C-N 3.33Å; L758-L761 HydrophobicContact CD2-CD1 4.41Å; L758-G762 PolarHBondContact O-N 2.96Å; L758-V763 HydrophobicContact CB-CB 4.12Å; L758-V763 HydrophobicContact CD2-CB 4.19Å; L758-V763 HydrophobicContact CD2-CG1 4.27Å; L758-V763 HydrophobicContact CD2-CG2 4.06Å; L758-V763 WeakPolarHBondContact O-CB 3.49Å; L758-V763 PolarHBondContact O-N 2.96Å; L758-L764 HydrophobicContact CB-CD1 3.87Å; L758-L764 HydrophobicContact CB-CG 4.06Å; L758-L764 HydrophobicContact CD1-CD1 4.42Å; L758-L764 PolarHBondContact O-N 3.05Å; L758-L790 HydrophobicContact CD2-CD2 3.87Å
759	I	91.4	Very high	88.9	Confident	26 Å²	26	37 Å²	37	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-49.4	170.8	-67.1	159.8	0	0	0	110.2	V755 R756 L761 G762 L764 Q766 L775	V755-I759 HydrophobicContact CG1-CD1 3.95Å; V755-I759 WeakPolarHBondContact O-CG1 3.43Å; V755-I759 PolarHBondContact O-N 3.17Å; R756-I759 PolarHBondContact O-N 3.18Å; I759-L761 VanDerWaalsContact C-N 3.27Å; I759-L761 PolarHBondContact O-N 2.79Å; I759-G762 PolarHBondContact O-N 3.02Å; I759-L764 HydrophobicContact CG1-CB 3.79Å; I759-L764 HydrophobicContact CG1-CD1 4.31Å; I759-Q766 HydrophobicContact CD1-CG 4.48Å; I759-Q766 HydrophobicContact CG2-CG 4.01Å; I759-L775 HydrophobicContact CD1-CD1 4.33Å; I759-L775 HydrophobicContact CD1-CD2 3.94Å; I759-L775 HydrophobicContact CG1-CD2 4.28Å
760	D	90.4	Very high	87.7	Confident	24 Å²	24	38.7 Å²	38.7	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-32.7	-179.4	-71	-12.3	0	0	0	112.2	L384 Q385 R404 W408 R756 T757 G762	L384-D760 HydrophobicContact CB-CB 3.87Å; L384-D760 WeakPolarHBondContact CB-O 3.21Å; L384-D760 HydrophobicContact CD2-CB 3.96Å; Q385-D760 PolarHBondContact N-O 3.1Å; R404-D760 IonicContact CZ-OD2 3.42Å; R404-D760 VanDerWaalsContact CZ-OD2 3.26Å; R404-D760 IonicContact NE-OD2 3.21Å; R404-D760 PolarHBondContact NE-OD2 2.86Å; R404-D760 IonicContact NH2-OD2 2.7Å; R404-D760 PolarHBondContact NH2-OD2 2.94Å; W408-D760 PolarHBondContact NE1-OD2 3.22Å; R756-D760 PolarHBondContact O-N 3.32Å; T757-D760 PolarHBondContact O-N 2.9Å; D760-G762 PolarHBondContact O-N 2.79Å
761	L	91.4	Very high	86.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.2	173.5	-81.2	166.3	0	0	0	113.7	L384 L388 L389 I392 T757 L758 I759 V763 L790	L384-L761 HydrophobicContact CD2-CD1 4.48Å; L384-L761 HydrophobicContact CD2-CD2 3.97Å; L384-L761 HydrophobicContact CD2-CG 3.64Å; L384-L761 HydrophobicContact CG-CD2 3.74Å; L384-L761 HydrophobicContact CG-CG 3.95Å; L388-L761 HydrophobicContact CB-CD2 3.88Å; L388-L761 HydrophobicContact CD1-CD2 4.15Å; L389-L761 WeakPolarHBondContact CD1-O 3.43Å; I392-L761 HydrophobicContact CD1-CD2 4.14Å; T757-L761 HydrophobicContact CG2-CD1 4.19Å; T757-L761 WeakPolarHBondContact O-CB 3.35Å; T757-L761 WeakPolarHBondContact O-CG 3.43Å; T757-L761 PolarHBondContact O-N 2.89Å; L758-L761 HydrophobicContact CD2-CD1 4.41Å; I759-L761 VanDerWaalsContact C-N 3.27Å; I759-L761 PolarHBondContact O-N 2.79Å; L761-V763 VanDerWaalsContact C-N 3.3Å; L761-V763 HydrophobicContact CB-CG2 3.9Å; L761-L790 HydrophobicContact CD1-CD1 4.15Å
762	G	89.8	Confident	85.5	Confident	14 Å²	14	45.1 Å²	45.1	14%	0.144	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	14.4	-173.7	0	0	0	0	0	114.4	L758 I759 D760 S778	L758-G762 PolarHBondContact O-N 2.96Å; I759-G762 PolarHBondContact O-N 3.02Å; D760-G762 PolarHBondContact O-N 2.79Å; G762-S778 WeakPolarHBondContact O-CB 3.48Å; G762-S778 PolarHBondContact O-OG 2.83Å
763	V	91.8	Very high	85.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-73.7	-38.1	173.6	-179.6	0	0	0	0	110.3	L712 L758 L761 S778 F781 L790	L712-V763 HydrophobicContact CD1-CG1 3.55Å; L758-V763 HydrophobicContact CB-CB 4.12Å; L758-V763 HydrophobicContact CD2-CB 4.19Å; L758-V763 HydrophobicContact CD2-CG1 4.27Å; L758-V763 HydrophobicContact CD2-CG2 4.06Å; L758-V763 WeakPolarHBondContact O-CB 3.49Å; L758-V763 PolarHBondContact O-N 2.96Å; L761-V763 VanDerWaalsContact C-N 3.3Å; L761-V763 HydrophobicContact CB-CG2 3.9Å; V763-S778 PolarHBondContact O-N 3.01Å; V763-S778 PolarHBondContact O-OG 3.05Å; V763-F781 HydrophobicContact CB-CD2 4.19Å; V763-F781 HydrophobicContact CB-CE2 4.45Å; V763-F781 HydrophobicContact CB-CG 4.25Å; V763-F781 HydrophobicContact CG1-CB 3.96Å; V763-F781 HydrophobicContact CG1-CD1 4.12Å; V763-F781 HydrophobicContact CG1-CD2 4.3Å; V763-F781 HydrophobicContact CG1-CG 3.87Å; V763-F781 HydrophobicContact CG2-CD1 4.08Å; V763-F781 HydrophobicContact CG2-CD2 3.93Å; V763-F781 HydrophobicContact CG2-CE1 3.91Å; V763-F781 HydrophobicContact CG2-CE2 3.74Å; V763-F781 HydrophobicContact CG2-CG 4.08Å; V763-F781 HydrophobicContact CG2-CZ 3.73Å; V763-L790 HydrophobicContact CG2-CD2 3.76Å
764	L	91.6	Very high	85	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.2	176.3	-64.4	175.1	0	0	0	110.3	L712 F724 V755 L758 I759 G776 V777	L712-L764 HydrophobicContact CD1-CD2 4.44Å; L712-L764 HydrophobicContact CD2-CD2 3.94Å; F724-L764 HydrophobicContact CE1-CD1 3.79Å; F724-L764 HydrophobicContact CE2-CD2 4.26Å; F724-L764 HydrophobicContact CZ-CD1 3.8Å; F724-L764 HydrophobicContact CZ-CD2 3.76Å; F724-L764 HydrophobicContact CZ-CG 4.46Å; V755-L764 HydrophobicContact CG1-CD1 3.94Å; L758-L764 HydrophobicContact CB-CD1 3.87Å; L758-L764 HydrophobicContact CB-CG 4.06Å; L758-L764 HydrophobicContact CD1-CD1 4.42Å; L758-L764 PolarHBondContact O-N 3.05Å; I759-L764 HydrophobicContact CG1-CB 3.79Å; I759-L764 HydrophobicContact CG1-CD1 4.31Å; L764-G776 CarbonylContact C-O 3.48Å; L764-G776 WeakPolarHBondContact CA-O 3.34Å; L764-V777 HydrophobicContact CD2-CG2 4.21Å
765	L	89.1	Confident	84.8	Confident	84 Å²	84	46.2 Å²	46.2	44%	0.44	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.8	176.3	-63	176	0	0	0	110.4	L775 G776	L765-L775 WeakPolarHBondContact O-CA 3.29Å; L765-G776 PolarHBondContact N-O 2.99Å; L765-G776 PolarHBondContact O-N 3.47Å; L765-G776 VanDerWaalsContact O-N 3.15Å
766	Q	86.9	Confident	84.7	Confident	85 Å²	85	47 Å²	47	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.7	172.8	-54	-159	-40.5	0	0	109.8	I759 V773 F774 L775	I759-Q766 HydrophobicContact CD1-CG 4.48Å; I759-Q766 HydrophobicContact CG2-CG 4.01Å; Q766-V773 HydrophobicContact CB-CG1 4.03Å; Q766-V773 HydrophobicContact CG-CG1 4.45Å; Q766-F774 CarbonylContact C-O 3.54Å; Q766-F774 WeakPolarHBondContact CA-O 3.38Å; Q766-L775 HydrophobicContact CB-CD2 4.36Å; Q766-L775 HydrophobicContact CG-CD2 3.65Å
767	T	82.2	Confident	84.7	Confident	69 Å²	69	46 Å²	46	42%	0.423	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.2	174.5	-51.6	0	0	0	0	109.1	Q769 F774	T767-Q769 HydrophobicContact CG2-CG 4.31Å; T767-F774 PolarHBondContact N-O 3Å; T767-F774 PolarHBondContact O-N 3.18Å
768	R	77	Confident	84.7	Confident	150 Å²	150	46.1 Å²	46.1	57%	0.566	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.7	175.4	-72.9	-177	178.9	-175.6	-0.1	109.8	V773	R768-V773 HydrophobicContact CG-CG2 4.13Å
769	Q	71.5	Confident	84.5	Confident	105 Å²	105	50.4 Å²	50.4	49%	0.491	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.4	171.1	-62.4	-177.3	4.5	0	0	108.4	T767 G771 T772 F774	T767-Q769 HydrophobicContact CG2-CG 4.31Å; Q769-G771 VanDerWaalsContact C-N 3.25Å; Q769-G771 PolarHBondContact O-N 3.47Å; Q769-T772 PolarHBondContact N-O 3.05Å; Q769-T772 PolarHBondContact O-N 3.41Å; Q769-T772 VanDerWaalsContact O-O 3.05Å; Q769-T772 PolarHBondContact O-OG1 3.07Å; Q769-F774 HydrophobicContact CB-CD2 4.03Å; Q769-F774 HydrophobicContact CB-CE2 3.9Å; Q769-F774 HydrophobicContact CG-CD2 4.33Å
770	T	61.3	Low	84.3	Confident	145 Å²	145	54.5 Å²	54.5	89%	0.89	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	41.1	173.5	55	0	0	0	0	114.9	T772	T770-T772 VanDerWaalsContact C-N 3.29Å; T770-T772 PolarHBondContact O-N 3.45Å
771	G	64.3	Low	84.3	Confident	84 Å²	84	53.4 Å²	53.4	87%	0.866	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-10.3	179.2	0	0	0	0	0	115.7	Q769	Q769-G771 VanDerWaalsContact C-N 3.25Å; Q769-G771 PolarHBondContact O-N 3.47Å
772	T	73.1	Confident	84.1	Confident	65 Å²	65	59.4 Å²	59.4	40%	0.399	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.2	175.5	35.6	0	0	0	0	111.8	Q769 T770 F774	Q769-T772 PolarHBondContact N-O 3.05Å; Q769-T772 PolarHBondContact O-N 3.41Å; Q769-T772 VanDerWaalsContact O-O 3.05Å; Q769-T772 PolarHBondContact O-OG1 3.07Å; T770-T772 VanDerWaalsContact C-N 3.29Å; T770-T772 PolarHBondContact O-N 3.45Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.48Å
773	V	82.1	Confident	84	Confident	33 Å²	33	63.7 Å²	63.7	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122	175.7	-176.4	0	0	0	0	108.8	P720 E721 Q766 R768	P720-V773 WeakPolarHBondContact CA-O 3.37Å; E721-V773 HydrophobicContact CB-CB 4.46Å; E721-V773 PolarHBondContact N-O 3.38Å; Q766-V773 HydrophobicContact CB-CG1 4.03Å; Q766-V773 HydrophobicContact CG-CG1 4.45Å; R768-V773 HydrophobicContact CG-CG2 4.13Å
774	F	87.6	Confident	83.7	Confident	42 Å²	42	67 Å²	67	18%	0.184	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.2	173.3	-70.9	-98.5	0	0	0	110.2	P718 L719 P720 Q766 T767 Q769 T772	P718-F774 HydrophobicContact CB-CB 4.48Å; L719-F774 CarbonylContact O-C 3.54Å; L719-F774 VanDerWaalsContact O-CA 3.28Å; L719-F774 WeakPolarHBondContact O-CA 3.36Å; P720-F774 HydrophobicContact CG-CD1 4.22Å; P720-F774 HydrophobicContact CG-CE1 3.72Å; P720-F774 HydrophobicContact CG-CZ 4.23Å; Q766-F774 CarbonylContact C-O 3.54Å; Q766-F774 WeakPolarHBondContact CA-O 3.38Å; T767-F774 PolarHBondContact N-O 3Å; T767-F774 PolarHBondContact O-N 3.18Å; Q769-F774 HydrophobicContact CB-CD2 4.03Å; Q769-F774 HydrophobicContact CB-CE2 3.9Å; Q769-F774 HydrophobicContact CG-CD2 4.33Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.48Å
775	L	90.7	Very high	83.6	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.5	174	-63.7	-178.1	0	0	0	109.6	P718 L719 E721 F724 V755 I759 L765 Q766	P718-L775 CarbonylContact C-O 3.53Å; P718-L775 WeakPolarHBondContact CA-O 3.49Å; L719-L775 PolarHBondContact N-O 3.32Å; L719-L775 PolarHBondContact O-N 3.47Å; E721-L775 HydrophobicContact CB-CD1 4.19Å; E721-L775 HydrophobicContact CB-CG 4.2Å; E721-L775 HydrophobicContact CG-CD1 3.98Å; E721-L775 HydrophobicContact CG-CG 4.44Å; F724-L775 HydrophobicContact CB-CB 4.41Å; F724-L775 HydrophobicContact CB-CD1 4.16Å; F724-L775 HydrophobicContact CD1-CB 4.49Å; F724-L775 HydrophobicContact CD1-CD1 3.77Å; F724-L775 HydrophobicContact CD2-CB 3.91Å; F724-L775 HydrophobicContact CE1-CD1 4.36Å; F724-L775 HydrophobicContact CE2-CB 4.33Å; F724-L775 HydrophobicContact CG-CB 4.02Å; F724-L775 HydrophobicContact CG-CD1 3.93Å; V755-L775 HydrophobicContact CG1-CD1 3.91Å; I759-L775 HydrophobicContact CD1-CD1 4.33Å; I759-L775 HydrophobicContact CD1-CD2 3.94Å; I759-L775 HydrophobicContact CG1-CD2 4.28Å; L765-L775 WeakPolarHBondContact O-CA 3.29Å; Q766-L775 HydrophobicContact CB-CD2 4.36Å; Q766-L775 HydrophobicContact CG-CD2 3.65Å
776	G	90.6	Very high	83.7	Confident	16 Å²	16	68.8 Å²	68.8	17%	0.165	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.9	173.1	0	0	0	0	0	111.6	L764 L765	L764-G776 CarbonylContact C-O 3.48Å; L764-G776 WeakPolarHBondContact CA-O 3.34Å; L765-G776 PolarHBondContact N-O 2.99Å; L765-G776 PolarHBondContact O-N 3.47Å; L765-G776 VanDerWaalsContact O-N 3.15Å
777	V	91.3	Very high	83.9	Confident	20 Å²	20	66.5 Å²	66.5	12%	0.121	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.3	175.8	-175.9	0	0	0	0	109.6	L712 L764 F781 Q782	L712-V777 HydrophobicContact CB-CG2 4.34Å; L712-V777 HydrophobicContact CD2-CG2 4.38Å; L764-V777 HydrophobicContact CD2-CG2 4.21Å; V777-F781 HydrophobicContact CG1-CB 3.94Å; V777-F781 WeakPolarHBondContact CG1-O 3.4Å; V777-Q782 HydrophobicContact CG1-CG 4.4Å
778	S	91.6	Very high	84.3	Confident	5 Å²	5	67.3 Å²	67.3	4%	0.035	37%	0.373	C	S	.	.			trans	-67.4	152.2	-179.2	74.3	0	0	0	0	111.6	G762 V763 L780 F781 Q782	G762-S778 WeakPolarHBondContact O-CB 3.48Å; G762-S778 PolarHBondContact O-OG 2.83Å; V763-S778 PolarHBondContact O-N 3.01Å; V763-S778 PolarHBondContact O-OG 3.05Å; S778-L780 PolarHBondContact O-N 3.39Å; S778-L780 VanDerWaalsContact O-N 3.12Å; S778-F781 CarbonylContact O-C 3.59Å; S778-F781 PolarHBondContact O-N 3.23Å; S778-F781 WeakPolarHBondContact OG-CD2 3.34Å; S778-Q782 PolarHBondContact O-N 2.9Å; S778-Q782 VanDerWaalsContact O-N 3.09Å
779	P	88.9	Confident	85	Confident	89 Å²	89	62.7 Å²	62.7	58%	0.578	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-55	-35.2	-177.4	-27.1	34.8	0	0	0	113.7	F781 Q782	P779-F781 VanDerWaalsContact C-N 3.29Å; P779-F781 PolarHBondContact O-N 3.32Å; P779-Q782 PolarHBondContact O-N 2.74Å
780	L	87.8	Confident	86	Confident	112 Å²	112	57.8 Å²	57.8	59%	0.586	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-64	-33.7	177.4	-68.4	176.6	0	0	0	112.7	S778 N786	S778-L780 PolarHBondContact O-N 3.39Å; S778-L780 VanDerWaalsContact O-N 3.12Å; L780-N786 PolarHBondContact O-ND2 3.08Å
781	F	89.4	Confident	87.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.009	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-102.3	7.6	-177.3	-73	-88.1	0	0	0	113.5	L389 I393 V763 V777 S778 P779 N786 R787 L790	L389-F781 HydrophobicContact CD2-CE2 3.83Å; L389-F781 HydrophobicContact CD2-CZ 3.62Å; I393-F781 HydrophobicContact CD1-CE1 4.33Å; I393-F781 HydrophobicContact CD1-CZ 4.17Å; V763-F781 HydrophobicContact CB-CD2 4.19Å; V763-F781 HydrophobicContact CB-CE2 4.45Å; V763-F781 HydrophobicContact CB-CG 4.25Å; V763-F781 HydrophobicContact CG1-CB 3.96Å; V763-F781 HydrophobicContact CG1-CD1 4.12Å; V763-F781 HydrophobicContact CG1-CD2 4.3Å; V763-F781 HydrophobicContact CG1-CG 3.87Å; V763-F781 HydrophobicContact CG2-CD1 4.08Å; V763-F781 HydrophobicContact CG2-CD2 3.93Å; V763-F781 HydrophobicContact CG2-CE1 3.91Å; V763-F781 HydrophobicContact CG2-CE2 3.74Å; V763-F781 HydrophobicContact CG2-CG 4.08Å; V763-F781 HydrophobicContact CG2-CZ 3.73Å; V777-F781 HydrophobicContact CG1-CB 3.94Å; V777-F781 WeakPolarHBondContact CG1-O 3.4Å; S778-F781 CarbonylContact O-C 3.59Å; S778-F781 PolarHBondContact O-N 3.23Å; S778-F781 WeakPolarHBondContact OG-CD2 3.34Å; P779-F781 VanDerWaalsContact C-N 3.29Å; P779-F781 PolarHBondContact O-N 3.32Å; F781-N786 HydrophobicContact CD1-CB 4.12Å; F781-N786 HydrophobicContact CE1-CB 4.27Å; F781-R787 HydrophobicContact CB-CG 4.37Å; F781-R787 HydrophobicContact CD1-CG 4.29Å; F781-R787 VanDerWaalsContact O-CD 3.29Å; F781-R787 WeakPolarHBondContact O-CD 3.3Å; F781-R787 VanDerWaalsContact O-CG 3.27Å; F781-R787 WeakPolarHBondContact O-CG 3.14Å; F781-R787 PolarHBondContact O-NH1 3.15Å; F781-L790 HydrophobicContact CE1-CB 4.16Å; F781-L790 HydrophobicContact CE1-CD2 4.07Å
782	Q	87	Confident	88.8	Confident	126 Å²	126	57.1 Å²	57.1	59%	0.589	29%	0.292	S	S	*	.	S	Bend	trans	-68.8	-27.1	162.2	-71.5	176.4	-1.4	0	0	111.2	V777 S778 P779 S784	V777-Q782 HydrophobicContact CG1-CG 4.4Å; S778-Q782 PolarHBondContact O-N 2.9Å; S778-Q782 VanDerWaalsContact O-N 3.09Å; P779-Q782 PolarHBondContact O-N 2.74Å; Q782-S784 PolarHBondContact O-N 3.03Å
783	L	88.1	Confident	89.7	Confident	104 Å²	104	54.7 Å²	54.7	55%	0.545	28%	0.276	S	S	.	.	S	Bend	trans	-71.8	121.6	172	-61	175.2	0	0	0	110.2	E785 N786 R787	L783-E785 PolarHBondContact O-N 3.12Å; L783-N786 PolarHBondContact O-N 2.85Å; L783-R787 PolarHBondContact O-N 3.02Å
784	S	86.6	Confident	90.2	Very high	68 Å²	68	53.1 Å²	53.1	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-36.8	179	55.8	0	0	0	0	112.4	Q782 N786 R787 E788	Q782-S784 PolarHBondContact O-N 3.03Å; S784-N786 VanDerWaalsContact C-N 3.3Å; S784-N786 PolarHBondContact O-N 3.3Å; S784-R787 WeakPolarHBondContact O-CB 3.45Å; S784-R787 PolarHBondContact O-N 3.43Å; S784-R787 VanDerWaalsContact O-N 3.12Å; S784-E788 WeakPolarHBondContact O-CG 3.42Å; S784-E788 PolarHBondContact O-N 2.94Å
785	E	89.8	Confident	90.4	Very high	108 Å²	108	53.4 Å²	53.4	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-42.5	178.3	-169.4	-167.5	152.9	0	0	112.5	L783 E788 K789	L783-E785 PolarHBondContact O-N 3.12Å; E785-E788 PolarHBondContact O-N 3.06Å; E785-K789 WeakPolarHBondContact O-CG 3.34Å; E785-K789 PolarHBondContact O-N 3.16Å; E785-K789 WeakPolarHBondContact OE1-CE 3.42Å; E785-K789 IonicContact OE1-NZ 3.03Å; E785-K789 PolarHBondContact OE1-NZ 3.5Å
786	N	90.7	Very high	90.4	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-72	-33.7	-179.5	-71.2	-19.7	0	0	0	111.7	I393 L780 F781 L783 S784 K789 L790	I393-N786 HydrophobicContact CD1-CB 3.93Å; L780-N786 PolarHBondContact O-ND2 3.08Å; F781-N786 HydrophobicContact CD1-CB 4.12Å; F781-N786 HydrophobicContact CE1-CB 4.27Å; L783-N786 PolarHBondContact O-N 2.85Å; S784-N786 VanDerWaalsContact C-N 3.3Å; S784-N786 PolarHBondContact O-N 3.3Å; N786-K789 PolarHBondContact O-N 2.86Å; N786-L790 PolarHBondContact O-N 3.19Å; N786-L790 VanDerWaalsContact O-N 3.08Å
787	R	90.6	Very high	90.5	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-41.6	171.5	-63.7	-165	-69.1	-122	9.9	111.4	T709 D713 F781 L783 S784 L790 Q791	T709-R787 HydrophobicContact CG2-CB 4.46Å; D713-R787 IonicContact OD1-CZ 2.74Å; D713-R787 IonicContact OD1-NE 2.7Å; D713-R787 PolarHBondContact OD1-NE 2.92Å; D713-R787 IonicContact OD1-NH2 3.12Å; D713-R787 PolarHBondContact OD1-NH2 2.86Å; F781-R787 HydrophobicContact CB-CG 4.37Å; F781-R787 HydrophobicContact CD1-CG 4.29Å; F781-R787 VanDerWaalsContact O-CD 3.29Å; F781-R787 WeakPolarHBondContact O-CD 3.3Å; F781-R787 VanDerWaalsContact O-CG 3.27Å; F781-R787 WeakPolarHBondContact O-CG 3.14Å; F781-R787 PolarHBondContact O-NH1 3.15Å; L783-R787 PolarHBondContact O-N 3.02Å; S784-R787 WeakPolarHBondContact O-CB 3.45Å; S784-R787 PolarHBondContact O-N 3.43Å; S784-R787 VanDerWaalsContact O-N 3.12Å; R787-L790 PolarHBondContact O-N 2.78Å; R787-Q791 WeakPolarHBondContact O-CB 3.44Å; R787-Q791 PolarHBondContact O-N 3.21Å
788	E	91	Very high	90.4	Very high	86 Å²	86	53.5 Å²	53.5	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.2	-70.8	-179.2	-172.1	0	0	112.3	S784 E785 Q791 R792	S784-E788 WeakPolarHBondContact O-CG 3.42Å; S784-E788 PolarHBondContact O-N 2.94Å; E785-E788 PolarHBondContact O-N 3.06Å; E788-Q791 PolarHBondContact O-N 2.7Å; E788-R792 WeakPolarHBondContact O-CG 3.37Å; E788-R792 PolarHBondContact O-N 2.83Å; E788-R792 IonicContact OE2-CZ 3.29Å; E788-R792 IonicContact OE2-NH1 2.88Å; E788-R792 IonicContact OE2-NH2 3.73Å; E788-R792 PolarHBondContact OE2-NH2 3.4Å
789	K	91.8	Very high	89.6	Confident	54 Å²	54	56.4 Å²	56.4	24%	0.235	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-47.1	173.9	-76.1	175.9	-175.1	166	0	111.5	I392 E785 N786 Q791 R792 F793	I392-K789 HydrophobicContact CG2-CB 4.47Å; E785-K789 WeakPolarHBondContact O-CG 3.34Å; E785-K789 PolarHBondContact O-N 3.16Å; E785-K789 WeakPolarHBondContact OE1-CE 3.42Å; E785-K789 IonicContact OE1-NZ 3.03Å; E785-K789 PolarHBondContact OE1-NZ 3.5Å; N786-K789 PolarHBondContact O-N 2.86Å; K789-Q791 VanDerWaalsContact C-N 3.34Å; K789-Q791 PolarHBondContact O-N 3.28Å; K789-R792 PolarHBondContact O-N 2.69Å; K789-F793 WeakPolarHBondContact O-CB 3.22Å; K789-F793 PolarHBondContact O-N 2.85Å
790	L	92.5	Very high	88.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-43.2	174.6	175.5	62.4	0	0	0	111.9	I392 T709 L758 L761 V763 F781 N786 R787 F793 V794	I392-L790 HydrophobicContact CD1-CD1 3.88Å; I392-L790 HydrophobicContact CG2-CB 4.15Å; I392-L790 HydrophobicContact CG2-CD1 4.39Å; T709-L790 HydrophobicContact CG2-CB 4.49Å; T709-L790 HydrophobicContact CG2-CD2 3.83Å; T709-L790 HydrophobicContact CG2-CG 4.17Å; L758-L790 HydrophobicContact CD2-CD2 3.87Å; L761-L790 HydrophobicContact CD1-CD1 4.15Å; V763-L790 HydrophobicContact CG2-CD2 3.76Å; F781-L790 HydrophobicContact CE1-CB 4.16Å; F781-L790 HydrophobicContact CE1-CD2 4.07Å; N786-L790 PolarHBondContact O-N 3.19Å; N786-L790 VanDerWaalsContact O-N 3.08Å; R787-L790 PolarHBondContact O-N 2.78Å; L790-F793 PolarHBondContact O-N 2.89Å; L790-V794 HydrophobicContact CD1-CG2 4.23Å; L790-V794 WeakPolarHBondContact O-CG2 3.34Å; L790-V794 PolarHBondContact O-N 2.75Å
791	Q	92.2	Very high	88.2	Confident	72 Å²	72	57 Å²	57	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.1	-174.5	175.8	-8.8	0	0	112	S710 R787 E788 K789 F793 V794 S795	S710-Q791 PolarHBondContact OG-NE2 3.34Å; S710-Q791 PolarHBondContact OG-OE1 2.93Å; R787-Q791 WeakPolarHBondContact O-CB 3.44Å; R787-Q791 PolarHBondContact O-N 3.21Å; E788-Q791 PolarHBondContact O-N 2.7Å; K789-Q791 VanDerWaalsContact C-N 3.34Å; K789-Q791 PolarHBondContact O-N 3.28Å; Q791-F793 VanDerWaalsContact C-N 3.35Å; Q791-V794 PolarHBondContact O-N 3.24Å; Q791-S795 VanDerWaalsContact O-CB 3.23Å; Q791-S795 WeakPolarHBondContact O-CB 3.29Å; Q791-S795 PolarHBondContact O-N 2.92Å; Q791-S795 PolarHBondContact O-OG 3.09Å
792	R	90.9	Very high	88.1	Confident	143 Å²	143	59.9 Å²	59.9	54%	0.54	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-45	173.6	-71.4	-178.1	-161.6	102.8	5.1	111	E788 K789 V794 S795 Q796	E788-R792 WeakPolarHBondContact O-CG 3.37Å; E788-R792 PolarHBondContact O-N 2.83Å; E788-R792 IonicContact OE2-CZ 3.29Å; E788-R792 IonicContact OE2-NH1 2.88Å; E788-R792 IonicContact OE2-NH2 3.73Å; E788-R792 PolarHBondContact OE2-NH2 3.4Å; K789-R792 PolarHBondContact O-N 2.69Å; R792-V794 PolarHBondContact O-N 2.77Å; R792-S795 WeakPolarHBondContact CA-OG 3.42Å; R792-S795 PolarHBondContact O-N 3.43Å; R792-S795 PolarHBondContact O-OG 3.17Å; R792-S795 VanDerWaalsContact O-OG 3.14Å; R792-Q796 PolarHBondContact O-N 2.9Å
793	F	92	Very high	88.2	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-40.3	178	175.5	-96.8	0	0	0	113.5	L388 V391 I392 Q602 L606 K789 L790 Q791 Q796 Y797	L388-F793 HydrophobicContact CD1-CE1 4.37Å; L388-F793 HydrophobicContact CD2-CZ 4.09Å; V391-F793 HydrophobicContact CG1-CE2 3.98Å; I392-F793 HydrophobicContact CD1-CD1 3.85Å; I392-F793 HydrophobicContact CD1-CE1 3.98Å; I392-F793 HydrophobicContact CD1-CG 4.32Å; I392-F793 HydrophobicContact CG1-CB 4.13Å; I392-F793 HydrophobicContact CG1-CD1 3.65Å; I392-F793 HydrophobicContact CG1-CD2 3.88Å; I392-F793 HydrophobicContact CG1-CE1 3.95Å; I392-F793 HydrophobicContact CG1-CE2 4.18Å; I392-F793 HydrophobicContact CG1-CG 3.6Å; I392-F793 HydrophobicContact CG1-CZ 4.21Å; I392-F793 HydrophobicContact CG2-CB 4.46Å; Q602-F793 HydrophobicContact CB-CE2 4.45Å; Q602-F793 HydrophobicContact CB-CZ 4.06Å; L606-F793 HydrophobicContact CD1-CE1 3.93Å; K789-F793 WeakPolarHBondContact O-CB 3.22Å; K789-F793 PolarHBondContact O-N 2.85Å; L790-F793 PolarHBondContact O-N 2.89Å; Q791-F793 VanDerWaalsContact C-N 3.35Å; F793-Q796 WeakPolarHBondContact O-CG 2.95Å; F793-Q796 PolarHBondContact O-NE2 3.26Å; F793-Y797 HydrophobicContact CE2-CE2 4.47Å; F793-Y797 HydrophobicContact CZ-CE2 4.29Å; F793-Y797 WeakPolarHBondContact O-CD2 3.19Å; F793-Y797 WeakPolarHBondContact O-CE2 3.22Å
794	V	93	Very high	88.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-77.6	-37.7	177.2	-179.1	0	0	0	0	110.8	L606 L702 L705 C706 L790 Q791 R792 Q796 Y797	L606-V794 HydrophobicContact CD1-CG2 4.26Å; L702-V794 HydrophobicContact CB-CG1 4.34Å; L702-V794 HydrophobicContact CD2-CG1 4.13Å; L702-V794 WeakPolarHBondContact O-CG1 3.37Å; L705-V794 HydrophobicContact CB-CG1 4.38Å; L705-V794 HydrophobicContact CD2-CG1 4.02Å; L705-V794 HydrophobicContact CD2-CG2 3.81Å; L705-V794 HydrophobicContact CG-CG1 4.35Å; L705-V794 HydrophobicContact CG-CG2 4.29Å; C706-V794 WeakPolarHBondContact SG-CG1 3.43Å; L790-V794 HydrophobicContact CD1-CG2 4.23Å; L790-V794 WeakPolarHBondContact O-CG2 3.34Å; L790-V794 PolarHBondContact O-N 2.75Å; Q791-V794 PolarHBondContact O-N 3.24Å; R792-V794 PolarHBondContact O-N 2.77Å; V794-Q796 VanDerWaalsContact C-N 3.34Å; V794-Q796 PolarHBondContact O-N 2.96Å; V794-Y797 PolarHBondContact O-N 3.28Å
795	S	91.9	Very high	88.3	Confident	48 Å²	48	52.5 Å²	52.5	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-72.3	-20.8	-176.4	59.3	0	0	0	0	114.6	Q791 R792 Y797 L798	Q791-S795 VanDerWaalsContact O-CB 3.23Å; Q791-S795 WeakPolarHBondContact O-CB 3.29Å; Q791-S795 PolarHBondContact O-N 2.92Å; Q791-S795 PolarHBondContact O-OG 3.09Å; R792-S795 WeakPolarHBondContact CA-OG 3.42Å; R792-S795 PolarHBondContact O-N 3.43Å; R792-S795 PolarHBondContact O-OG 3.17Å; R792-S795 VanDerWaalsContact O-OG 3.14Å; S795-Y797 PolarHBondContact O-N 2.92Å; S795-L798 WeakPolarHBondContact O-CB 3.33Å; S795-L798 PolarHBondContact O-N 3.24Å
796	Q	91.2	Very high	88.2	Confident	23 Å²	23	48.8 Å²	48.8	11%	0.107	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.4	171.9	76	-169.8	-41.2	0	0	111.9	A557 R792 F793 V794 L798	A557-Q796 WeakPolarHBondContact CA-O 3.23Å; A557-Q796 HydrophobicContact CB-CB 4.21Å; A557-Q796 HydrophobicContact CB-CG 3.79Å; A557-Q796 PolarHBondContact N-O 2.99Å; R792-Q796 PolarHBondContact O-N 2.9Å; F793-Q796 WeakPolarHBondContact O-CG 2.95Å; F793-Q796 PolarHBondContact O-NE2 3.26Å; V794-Q796 VanDerWaalsContact C-N 3.34Å; V794-Q796 PolarHBondContact O-N 2.96Å; Q796-L798 VanDerWaalsContact C-N 3.32Å
797	Y	92.6	Very high	88	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.6	178.9	-61.7	-73.4	0	0	0	113.6	C553 A557 K599 Q602 L603 F793 V794 S795	C553-Y797 HydrophobicContact CB-CD1 4.42Å; C553-Y797 PolarHBondContact SG-O 3.31Å; A557-Y797 HydrophobicContact CB-CD1 3.68Å; A557-Y797 HydrophobicContact CB-CE1 3.69Å; A557-Y797 HydrophobicContact CB-CG 4.36Å; K599-Y797 HydrophobicContact CB-CE1 4.19Å; K599-Y797 WeakPolarHBondContact O-CE1 3Å; K599-Y797 PolarHBondContact O-OH 3.21Å; K599-Y797 VanDerWaalsContact O-OH 3.07Å; Q602-Y797 WeakPolarHBondContact CB-OH 3.15Å; Q602-Y797 PolarHBondContact OE1-OH 3.32Å; L603-Y797 HydrophobicContact CB-CD1 4.16Å; L603-Y797 HydrophobicContact CB-CE1 3.93Å; L603-Y797 HydrophobicContact CD1-CD1 4.39Å; L603-Y797 HydrophobicContact CD1-CD2 4.48Å; L603-Y797 HydrophobicContact CD1-CG 4.19Å; L603-Y797 HydrophobicContact CD2-CD1 4.01Å; L603-Y797 HydrophobicContact CG-CD1 4.43Å; F793-Y797 HydrophobicContact CE2-CE2 4.47Å; F793-Y797 HydrophobicContact CZ-CE2 4.29Å; F793-Y797 WeakPolarHBondContact O-CD2 3.19Å; F793-Y797 WeakPolarHBondContact O-CE2 3.22Å; V794-Y797 PolarHBondContact O-N 3.28Å; S795-Y797 PolarHBondContact O-N 2.92Å
798	L	88.8	Confident	87.8	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.079	25%	0.246	C	C	.	.			trans	-88.6	117.5	-179.9	-77.2	174.7	0	0	0	110.8	A699 L702 R703 S795 Q796	A699-L798 HydrophobicContact CB-CD2 4.07Å; L702-L798 HydrophobicContact CB-CD2 3.47Å; L702-L798 VanDerWaalsContact CB-CD2 3.47Å; L702-L798 HydrophobicContact CB-CG 3.94Å; L702-L798 HydrophobicContact CD1-CD2 4.33Å; R703-L798 HydrophobicContact CB-CD1 4.24Å; R703-L798 HydrophobicContact CB-CD2 4.23Å; S795-L798 WeakPolarHBondContact O-CB 3.33Å; S795-L798 PolarHBondContact O-N 3.24Å; Q796-L798 VanDerWaalsContact C-N 3.32Å
799	Y	75.6	Confident	87.6	Confident	65 Å²	65	49.4 Å²	49.4	26%	0.255	23%	0.233	S	C	.	.			trans	-84.6	121.1	163	-174.8	-99.8	0	0	0	109.7	F692 C695	F692-Y799 HydrophobicContact CB-CD1 4.32Å; F692-Y799 HydrophobicContact CB-CE1 3.91Å; F692-Y799 AromaticContact CD1-CD1 3.96Å; F692-Y799 HydrophobicContact CD1-CD1 3.96Å; F692-Y799 AromaticContact CD1-CD2 3.78Å; F692-Y799 HydrophobicContact CD1-CD2 3.78Å; F692-Y799 AromaticContact CD1-CE1 3.51Å; F692-Y799 HydrophobicContact CD1-CE1 3.51Å; F692-Y799 AromaticContact CD1-CE2 3.33Å; F692-Y799 HydrophobicContact CD1-CE2 3.33Å; F692-Y799 HydrophobicContact CD1-CG 4.08Å; F692-Y799 AromaticContact CD1-CZ 3.17Å; F692-Y799 HydrophobicContact CD2-CE1 4.35Å; F692-Y799 AromaticContact CE1-CD2 3.88Å; F692-Y799 HydrophobicContact CE1-CD2 3.88Å; F692-Y799 HydrophobicContact CE1-CE1 4.12Å; F692-Y799 AromaticContact CE1-CE2 3.13Å; F692-Y799 HydrophobicContact CE1-CE2 3.13Å; F692-Y799 AromaticContact CE1-CZ 3.28Å; F692-Y799 WeakPolarHBondContact CE1-OH 3.37Å; F692-Y799 WeakPolarHBondContact CE2-OH 3.38Å; F692-Y799 HydrophobicContact CG-CD1 4.33Å; F692-Y799 AromaticContact CG-CE1 3.66Å; F692-Y799 HydrophobicContact CG-CE1 3.66Å; F692-Y799 HydrophobicContact CG-CE2 4.23Å; F692-Y799 AromaticContact CG-CZ 3.6Å; F692-Y799 AromaticContact CZ-CE2 3.9Å; F692-Y799 HydrophobicContact CZ-CE2 3.9Å; F692-Y799 AromaticContact CZ-CZ 3.78Å; F692-Y799 VanDerWaalsContact CZ-OH 3.3Å; F692-Y799 WeakPolarHBondContact CZ-OH 3.06Å; C695-Y799 HydrophobicContact CB-CG 4.38Å
800	N	58.6	Low	87.2	Confident	157 Å²	157	49 Å²	49	84%	0.84	23%	0.233	S	C	*	.			trans	-94.9	0	-179.4	-80.6	-35.2	0	0	0	113.2

Retrieved 800 of 800 residues in 272.1 ms (Link to these results)

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