A0A087YKL9_POEFO Loading...

Phospholipase B1, membrane-associated

Calcium-independent membrane-associated phospholipase that catalyzes complete diacylation of phospholipids by hydrolyzing both sn-1 and sn-2 fatty acyl chains attached to the glycerol backbone (phospholipase B activity). Has dual phospholipase and lysophospholipase activities toward diacylphospholipids. Preferentially cleaves sn-2 ester bonds over sn-1 bonds. Acts as a lipase toward glycerolipid substrates. Hydrolyzes fatty acyl chains of diacylglycerols with preference for the sn-2 position and of triacylglycerols with not positional selectivity. May also hydrolyze long chain retinyl esters such as retinyl palmitate. May contribute to digestion of dietary phospholipids, glycerolipids and retinoids, facilitating lipid absorption at the brush border.

AlphaFold DB , UniProt , Accession A0A087YKL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,072 aa.

						>A0A087YKL9_POEFO|A0A087YKL9
LQATPLIRGLSSTHTGTELPCEDRSPSSSIPTSVHELRPADIKVVAAVGDSLTAGNGIGSSPNDILDVLRQYRGLSWCIGGDGDLTTVTTLPNILKHFNHNVKGYSLGVGNQDNPQAFLNQAVPGATSPDIPSQVRTLVTKMKNDVNINFESDWKLITIFIGGNDLCAYCENNLLYSVENYVGFLKESLDYLQKEVPRALVNLVEPLYITPLREMHMDASLNCPTWLVNMLCPCVVMPEPNSEALQILETVNRGYQRSLHELIDSGRYDTQSDFTVVIQPFLRDIALPRLPDGRPDRSYFSADCFHLSQKSQTLMARSLWNNMLEPVGSKTSSQDFNSAFDLKCSTNDSPFIRTSKNSDYTYSAPSSKTDPITHTGTELPCEDRSPSSSIPTSVHELRPADIKVVAAVGDSLTAGNGIGSSPNNVLDVLRQYRGLSWCIGGDGNLTTVTTLPNILKHFNHNVTGYSLGVGDQNNPQAFLNQAVPGAKSRDIPSQVRTLVTKMKNDQNINFESDWKLITIFIGGNDLCAYCENSLLYSVENYVGFLKESLDYLQKEVPRALVNLVEPLYITPLREMHMDASLNCPTWLLNILCPCVVMPEPNSEALQILETVNRGYQRSLHELIESGRYDTQSDFTVVIQPFLRDIALPRLPDGRPDRSYFSPDCFHLSQKAQTVMARSLWNNMLEPLGSKTSSQDFDSPFELKCSTNDSPFIRTYKNSDYMYSAPSPKPDPITNWGSDFSCNNLAPSESQPTSVHMLRPSDIQVVAALGDSLTAGTGAKSNSILDLNTEYKGVSWSIGGDQALETVTTLPNILKKFNPDLKGFSKGQGQLQKGFNMAVAGAKSLELPAQVQALIKAMKENTEVNFESDWKLVTIFIGTTDLCNYCYDQNNLSPKNFSNNLMLTLDMLYKEVPRVLVNLVDLMQVDVFKTVKKDTLGCSLQQRVSCHCVINPANNAPEIEELKRINRNYQTEIEYLISGDRYDGKEDFAVVLQPFFHYSFIPQTGLGEVDTSFFSADCFHLSERAHAEMAIGLWNNMLEPVGRKQAYNNFTHDRAKIHCPSEASPFIFTKANS
					

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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	L	32.6	Very low	31.2	Very low	231 Å²	231	148.2 Å²	148.2	100%	1.209	84%	0.839	S	S	*	*				0	99.7	0	-83.2	152.6	0	0	0	107.3
2	Q	31.3	Very low	31.4	Very low	198 Å²	198	145.4 Å²	145.4	93%	0.925	84%	0.836	S	S	*	*			trans	-65.5	132.6	173.4	-76.7	166	-37.3	0	0	109.1
3	A	27.6	Very low	32.6	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	82%	0.821	S	S	*	*			trans	-129.7	95.4	165	0	0	0	0	0	107.6
4	T	26.6	Very low	34.1	Very low	128 Å²	128	144.1 Å²	144.1	79%	0.785	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65.8	130.1	164.4	1.4	0	0	0	0	109
5	P	33.8	Very low	36.7	Very low	117 Å²	117	135.6 Å²	135.6	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-80.7	123.7	160.9	7.7	9.2	0	0	0	108.5	I7	P5-I7 PolarHBondContact O-N 3.3Å
6	L	27.5	Very low	39.4	Very low	159 Å²	159	128.6 Å²	128.6	83%	0.832	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-59.5	116.3	173	-88.3	105.9	0	0	0	110.8	R8	L6-R8 PolarHBondContact O-N 3.41Å
7	I	35	Very low	42.1	Very low	158 Å²	158	121.6 Å²	121.6	81%	0.81	70%	0.698	S	S	*	*			trans	-70.2	104.5	156.1	-59.7	172.3	0	0	0	105.9	P5	P5-I7 PolarHBondContact O-N 3.3Å
8	R	31	Very low	44.6	Very low	225 Å²	225	124.3 Å²	124.3	85%	0.849	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-74	139	170.6	-88.8	-174.9	177.2	-171.4	-0.2	108.9	L6 L10	L6-R8 PolarHBondContact O-N 3.41Å; R8-L10 PolarHBondContact O-N 3.44Å
9	G	31.2	Very low	46.8	Very low	81 Å²	81	118.4 Å²	118.4	84%	0.835	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-57.2	119.9	-163	0	0	0	0	0	114.8
10	L	35	Very low	48.6	Very low	130 Å²	130	117.2 Å²	117.2	68%	0.681	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-78.7	128.5	154.8	-78.5	155.6	0	0	0	107.8	R8 S12	R8-L10 PolarHBondContact O-N 3.44Å; L10-S12 PolarHBondContact O-N 2.82Å
11	S	32	Very low	50.4	Low	106 Å²	106	111.8 Å²	111.8	74%	0.741	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-49.9	132	167.1	175.4	0	0	0	0	109.9	T13	S11-T13 PolarHBondContact O-N 3.03Å
12	S	33.7	Very low	52.6	Low	115 Å²	115	110.1 Å²	110.1	80%	0.804	62%	0.622	S	S	*	*			trans	-59.9	98.5	-176	57.9	0	0	0	0	112.3	L10	L10-S12 PolarHBondContact O-N 2.82Å
13	T	46.2	Very low	54.8	Low	105 Å²	105	103.1 Å²	103.1	64%	0.644	59%	0.591	S	S	*	*			trans	-124.6	114.5	152.2	49.4	0	0	0	0	106.4	S11 T15	S11-T13 PolarHBondContact O-N 3.03Å; T13-T15 PolarHBondContact O-N 3.27Å; T13-T15 VanDerWaalsContact O-N 3.08Å
14	H	53.8	Low	57.4	Low	168 Å²	168	103.3 Å²	103.3	78%	0.778	57%	0.571	S	S	*	*			trans	-71.3	101.8	178.8	-145.2	-27.6	0	0	0	106.9	G16 T86	H14-G16 VanDerWaalsContact C-N 3.28Å; H14-T86 PolarHBondContact CE1-O 2.87Å; H14-T86 PolarHBondContact ND1-O 2.69Å
15	T	73.2	Confident	60.1	Low	16 Å²	16	100.4 Å²	100.4	10%	0.098	56%	0.556	C	S	.	*	B	Isolated β-bridge	trans	-92.6	9.7	178.6	51.4	0	0	0	0	112.7	T13 T87 T89 Q309	T13-T15 PolarHBondContact O-N 3.27Å; T13-T15 VanDerWaalsContact O-N 3.08Å; T15-T87 PolarHBondContact OG1-O 3.04Å; T15-T87 VanDerWaalsContact OG1-O 3.04Å; T15-T89 WeakPolarHBondContact O-CB 3.42Å; T15-T89 PolarHBondContact O-N 2.98Å; T15-T89 PolarHBondContact O-OG1 2.76Å; T15-Q309 HydrophobicContact CG2-CG 4.16Å; T15-Q309 PolarHBondContact OG1-NE2 3.06Å
16	G	79.8	Confident	62.6	Low	23 Å²	23	98.8 Å²	98.8	24%	0.237	55%	0.545	C	S	.	.			trans	-76.3	156.7	172.6	0	0	0	0	0	112.7	H14 L85 T86	H14-G16 VanDerWaalsContact C-N 3.28Å; G16-L85 CarbonylContact C-O 3.58Å; G16-L85 WeakPolarHBondContact CA-O 3.35Å; G16-T86 VanDerWaalsContact CA-C 3.44Å; G16-T86 VanDerWaalsContact CA-O 3.31Å; G16-T86 WeakPolarHBondContact CA-O 3.04Å
17	T	86.3	Confident	65.4	Low	11 Å²	11	92.3 Å²	92.3	7%	0.067	51%	0.513	C	S	.	.			trans	-129.5	154.5	176.8	-55.6	0	0	0	0	109.3	L85 T89 L342	T17-L85 PolarHBondContact N-O 3.28Å; T17-L85 WeakPolarHBondContact O-CG 3.39Å; T17-T89 WeakPolarHBondContact CB-OG1 3.4Å; T17-T89 PolarHBondContact N-OG1 3.18Å; T17-T89 WeakPolarHBondContact OG1-CG2 3.39Å; T17-T89 PolarHBondContact OG1-OG1 3.39Å; T17-L342 HydrophobicContact CG2-CD1 3.55Å; T17-L342 HydrophobicContact CG2-CG 3.78Å
18	E	86.2	Confident	67.7	Low	170 Å²	170	91.1 Å²	91.1	79%	0.794	52%	0.519	S	S	*	.			trans	-100.6	144.7	168.6	-66.8	-171.1	172	0	0	110.3
19	L	87.2	Confident	70.5	Confident	11 Å²	11	84.3 Å²	84.3	6%	0.058	51%	0.506	C	S	.	.			trans	-120.1	106.4	177.2	-174.4	71	0	0	0	109.7	C21 R24 L85 I94 H97 F98 L342	L19-C21 VanDerWaalsContact C-N 3.25Å; L19-C21 WeakPolarHBondContact CD1-SG 3.48Å; L19-C21 HydrophobicContact CG-CB 4.39Å; L19-C21 VanDerWaalsContact CG-SG 3.54Å; L19-C21 PolarHBondContact O-N 3.11Å; L19-R24 PolarHBondContact O-NH2 3.29Å; L19-R24 VanDerWaalsContact O-NH2 3.07Å; L19-L85 HydrophobicContact CB-CD2 3.63Å; L19-L85 HydrophobicContact CD2-CD2 4.48Å; L19-I94 HydrophobicContact CD2-CG2 4.31Å; L19-H97 HydrophobicContact CD2-CB 4Å; L19-F98 HydrophobicContact CD2-CD2 4.39Å; L19-F98 HydrophobicContact CD2-CE2 3.45Å; L19-F98 VanDerWaalsContact CD2-CE2 3.45Å; L19-F98 HydrophobicContact CD2-CZ 3.72Å; L19-L342 HydrophobicContact CB-CD1 4.48Å; L19-L342 HydrophobicContact CD1-CB 3.57Å; L19-L342 HydrophobicContact CD1-CD1 3.88Å; L19-L342 HydrophobicContact CD1-CG 4.37Å
20	P	82.7	Confident	73.4	Confident	94 Å²	94	85.1 Å²	85.1	61%	0.61	49%	0.49	S	S	*	.			trans	-84.7	14.3	-172	33.9	-35.9	0	0	0	114	E22	P20-E22 PolarHBondContact O-N 3.2Å
21	C	86	Confident	76.1	Confident	4 Å²	4	79.3 Å²	79.3	3%	0.027	46%	0.46	C	S	.	.			trans	-66	126.4	-173.4	-50.4	0	0	0	0	111.9	L19 R24 F98 C344	L19-C21 VanDerWaalsContact C-N 3.25Å; L19-C21 WeakPolarHBondContact CD1-SG 3.48Å; L19-C21 HydrophobicContact CG-CB 4.39Å; L19-C21 VanDerWaalsContact CG-SG 3.54Å; L19-C21 PolarHBondContact O-N 3.11Å; C21-R24 PolarHBondContact O-NE 3.15Å; C21-R24 PolarHBondContact O-NH2 2.81Å; C21-R24 VanDerWaalsContact O-NH2 3.16Å; C21-F98 HydrophobicContact CB-CE1 4.38Å; C21-F98 HydrophobicContact CB-CZ 4.25Å; C21-C344 WeakPolarHBondContact CA-SG 3.39Å; C21-C344 HydrophobicContact CB-CB 3.77Å; C21-C344 WeakPolarHBondContact CB-SG 3.33Å; C21-C344 PolarHBondContact N-SG 3.17Å; C21-C344 WeakPolarHBondContact SG-CA 3.2Å; C21-C344 WeakPolarHBondContact SG-CB 3.1Å; C21-C344 CovalentContact SG-SG 2.03Å; C21-C344 PolarHBondContact SG-SG 3.39Å
22	E	78.1	Confident	79	Confident	197 Å²	197	78.8 Å²	78.8	92%	0.921	45%	0.453	S	S	*	.	S	Bend	trans	-78.5	-46.2	179.3	-65.7	-171.1	165.3	0	0	112.4	P20	P20-E22 PolarHBondContact O-N 3.2Å
23	D	77.4	Confident	82	Confident	51 Å²	51	74.2 Å²	74.2	27%	0.273	42%	0.42	S	S	.	.			trans	-88.9	119.6	173	-172.2	14	0	0	0	110.8	S25 R38	D23-S25 VanDerWaalsContact OD1-CB 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.44Å; D23-R38 IonicContact OD2-NH1 2.68Å; D23-R38 PolarHBondContact OD2-NH1 3.07Å; D23-R38 VanDerWaalsContact OD2-NH1 3.12Å
24	R	83.9	Confident	84.3	Confident	100 Å²	100	69.2 Å²	69.2	38%	0.377	39%	0.39	S	S	.	.			trans	-125.4	11.2	177.1	-55.7	-179.7	-168.7	-175.3	-1.9	112.1	L19 C21 F98	L19-R24 PolarHBondContact O-NH2 3.29Å; L19-R24 VanDerWaalsContact O-NH2 3.07Å; C21-R24 PolarHBondContact O-NE 3.15Å; C21-R24 PolarHBondContact O-NH2 2.81Å; C21-R24 VanDerWaalsContact O-NH2 3.16Å; R24-F98 HydrophobicContact CB-CD1 3.96Å; R24-F98 HydrophobicContact CB-CE1 4.39Å; R24-F98 HydrophobicContact CG-CD1 4.17Å; R24-F98 HydrophobicContact CG-CE1 4.15Å
25	S	83.1	Confident	86.3	Confident	67 Å²	67	62 Å²	62	47%	0.469	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-74.7	142	-169.5	-44.7	0	0	0	0	110.9	D23	D23-S25 VanDerWaalsContact OD1-CB 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.44Å
26	P	84.5	Confident	87.3	Confident	83 Å²	83	65.7 Å²	65.7	54%	0.539	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.8	163.7	167.8	29.7	-34.8	0	0	0	111.1	A40	P26-A40 HydrophobicContact CB-CB 4.01Å
27	S	86.4	Confident	88	Confident	23 Å²	23	64.6 Å²	64.6	16%	0.161	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-59.8	146	170.8	-70.7	0	0	0	0	110.6	S29 R38 D41	S27-S29 VanDerWaalsContact CB-O 3.25Å; S27-S29 WeakPolarHBondContact CB-O 3.45Å; S27-S29 PolarHBondContact O-N 2.98Å; S27-S29 VanDerWaalsContact O-N 3.11Å; S27-R38 WeakPolarHBondContact OG-CD 3.41Å; S27-R38 WeakPolarHBondContact OG-CG 3.38Å; S27-D41 VanDerWaalsContact CB-OD1 3.28Å; S27-D41 WeakPolarHBondContact CB-OD1 3.42Å; S27-D41 WeakPolarHBondContact CB-OD2 3.44Å; S27-D41 PolarHBondContact N-OD1 3.27Å; S27-D41 PolarHBondContact OG-OD1 2.95Å; S27-D41 PolarHBondContact OG-OD2 3.08Å
28	S	84.8	Confident	88.4	Confident	134 Å²	134	67 Å²	67	94%	0.937	37%	0.369	S	S	*	.	S	Bend	trans	-59.1	-25.3	-178	61.9	0	0	0	0	113.6
29	S	90.2	Very high	88.9	Confident	82 Å²	82	59 Å²	59	57%	0.573	33%	0.332	S	S	*	.	S	Bend	trans	-136.5	157.1	168.2	56.8	0	0	0	0	109.5	S27 P31	S27-S29 VanDerWaalsContact CB-O 3.25Å; S27-S29 WeakPolarHBondContact CB-O 3.45Å; S27-S29 PolarHBondContact O-N 2.98Å; S27-S29 VanDerWaalsContact O-N 3.11Å; S29-P31 VanDerWaalsContact O-CD 3.23Å; S29-P31 WeakPolarHBondContact O-CD 3.27Å; S29-P31 VanDerWaalsContact O-N 3.12Å
30	I	90.1	Very high	89.2	Confident	98 Å²	98	58.8 Å²	58.8	50%	0.503	33%	0.332	S	S	.	.			trans	-58.3	118.7	174.5	-55.7	176.1	0	0	0	108.4
31	P	93.2	Very high	89.9	Confident	7 Å²	7	55 Å²	55	5%	0.045	31%	0.307	C	S	.	.			trans	-59.6	144	-178	-25.5	35.3	0	0	0	111.5	S29 E36 L37 D41 W154 R198	S29-P31 VanDerWaalsContact O-CD 3.23Å; S29-P31 WeakPolarHBondContact O-CD 3.27Å; S29-P31 VanDerWaalsContact O-N 3.12Å; P31-E36 HydrophobicContact CB-CB 4.45Å; P31-L37 HydrophobicContact CB-CD2 4.07Å; P31-L37 HydrophobicContact CG-CD2 4.1Å; P31-D41 HydrophobicContact CG-CB 4.19Å; P31-D41 WeakPolarHBondContact CG-OD2 3.38Å; P31-W154 HydrophobicContact CB-CZ2 4.47Å; P31-W154 WeakPolarHBondContact O-CZ2 3.45Å; P31-W154 PolarHBondContact O-NE1 2.92Å; P31-R198 PolarHBondContact O-NH1 2.85Å
32	T	92.9	Very high	90.5	Very high	96 Å²	96	54.9 Å²	54.9	59%	0.589	31%	0.305	S	S	*	.	S	Bend	trans	-97.8	-17	172.8	52.2	0	0	0	0	111.9
33	S	95.7	Very high	91.4	Very high	18 Å²	18	48.9 Å²	48.9	13%	0.126	28%	0.276	C	S	.	.	S	Bend	trans	-115	140.9	175.2	-172.5	0	0	0	0	112.5	H35 E36 S272	S33-H35 PolarHBondContact O-N 3.28Å; S33-H35 PolarHBondContact OG-CD2 3.23Å; S33-H35 PolarHBondContact OG-N 2.73Å; S33-E36 PolarHBondContact O-N 3.38Å; S33-S272 CarbonylContact C-O 3.59Å; S33-S272 WeakPolarHBondContact CA-O 3.34Å; S33-S272 PolarHBondContact OG-O 3.3Å
34	V	95.9	Very high	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.6	-24.4	173.7	72.9	0	0	0	0	111.8	E36 L37 W154 L200 S272 T275	V34-E36 PolarHBondContact O-N 2.61Å; V34-L37 HydrophobicContact CB-CD1 4.41Å; V34-L37 HydrophobicContact CG2-CD1 3.71Å; V34-L37 WeakPolarHBondContact O-CG 3.42Å; V34-W154 HydrophobicContact CB-CH2 3.9Å; V34-W154 HydrophobicContact CB-CZ3 3.74Å; V34-W154 HydrophobicContact CG2-CZ3 3.88Å; V34-W154 VanDerWaalsContact N-CH2 3.31Å; V34-L200 HydrophobicContact CG2-CB 3.88Å; V34-L200 HydrophobicContact CG2-CD1 4.28Å; V34-S272 PolarHBondContact N-O 3.05Å; V34-T275 HydrophobicContact CB-CG2 4.24Å; V34-T275 HydrophobicContact CG1-CG2 3.59Å; V34-T275 HydrophobicContact CG2-CG2 3.59Å
35	H	94.7	Very high	93.1	Very high	17 Å²	17	41.8 Å²	41.8	8%	0.079	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-78	-6.1	-179.9	-48.2	-60.9	0	0	0	113.3	S33 D269 T354 K356 N357	S33-H35 PolarHBondContact O-N 3.28Å; S33-H35 PolarHBondContact OG-CD2 3.23Å; S33-H35 PolarHBondContact OG-N 2.73Å; H35-D269 IonicContact CE1-OD1 3.26Å; H35-T354 PolarHBondContact ND1-OG1 2.77Å; H35-K356 HydrophobicContact CB-CB 4.4Å; H35-K356 VanDerWaalsContact NE2-CD 3.27Å; H35-K356 WeakPolarHBondContact NE2-CD 3.5Å; H35-K356 WeakPolarHBondContact NE2-CE 3.46Å; H35-K356 PolarHBondContact NE2-NZ 3.12Å; H35-N357 PolarHBondContact O-ND2 3.48Å
36	E	94.3	Very high	93.9	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-115.7	17.6	179.7	-62	177.2	161.3	0	0	111.9	P31 S33 V34 R38 F351	P31-E36 HydrophobicContact CB-CB 4.45Å; S33-E36 PolarHBondContact O-N 3.38Å; V34-E36 PolarHBondContact O-N 2.61Å; E36-R38 PolarHBondContact O-N 3.26Å; E36-F351 HydrophobicContact CB-CD1 4.4Å; E36-F351 HydrophobicContact CB-CE1 4.07Å; E36-F351 HydrophobicContact CB-CZ 4.39Å; E36-F351 WeakPolarHBondContact O-CD1 3.44Å; E36-F351 VanDerWaalsContact O-CE1 3.24Å; E36-F351 WeakPolarHBondContact O-CE1 2.93Å
37	L	94.8	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.			trans	-76.2	120.5	-178.2	-69.9	179.6	0	0	0	112.4	P31 V34 D41 I42 W154 L200 F351 I352	P31-L37 HydrophobicContact CB-CD2 4.07Å; P31-L37 HydrophobicContact CG-CD2 4.1Å; V34-L37 HydrophobicContact CB-CD1 4.41Å; V34-L37 HydrophobicContact CG2-CD1 3.71Å; V34-L37 WeakPolarHBondContact O-CG 3.42Å; L37-D41 HydrophobicContact CD2-CB 4.04Å; L37-I42 HydrophobicContact CD1-CD1 4.05Å; L37-W154 HydrophobicContact CD1-CD2 4.04Å; L37-W154 HydrophobicContact CD1-CE3 3.65Å; L37-W154 HydrophobicContact CD1-CZ3 3.98Å; L37-W154 HydrophobicContact CD2-CB 4.29Å; L37-W154 HydrophobicContact CD2-CD2 3.45Å; L37-W154 VanDerWaalsContact CD2-CD2 3.45Å; L37-W154 HydrophobicContact CD2-CE3 3.94Å; L37-W154 HydrophobicContact CD2-CG 3.57Å; L37-W154 HydrophobicContact CD2-CH2 4.5Å; L37-W154 HydrophobicContact CD2-CZ2 4.08Å; L37-W154 HydrophobicContact CD2-CZ3 4.44Å; L37-W154 HydrophobicContact CG-CD2 4.29Å; L37-W154 HydrophobicContact CG-CE3 4.3Å; L37-L200 HydrophobicContact CD1-CB 4.34Å; L37-F351 CarbonylContact O-C 3.54Å; L37-F351 WeakPolarHBondContact O-CA 3.25Å; L37-I352 HydrophobicContact CB-CD1 4.46Å; L37-I352 PolarHBondContact O-N 3.04Å
38	R	95.1	Very high	95.1	Very high	61 Å²	61	33.6 Å²	33.6	23%	0.23	19%	0.19	C	C	.	.			trans	-83.9	155.5	162.2	-59.1	-178.6	172.7	-136.5	-7.2	109.7	D23 S27 E36 A40 D41 F351	D23-R38 IonicContact OD2-NH1 2.68Å; D23-R38 PolarHBondContact OD2-NH1 3.07Å; D23-R38 VanDerWaalsContact OD2-NH1 3.12Å; S27-R38 WeakPolarHBondContact OG-CD 3.41Å; S27-R38 WeakPolarHBondContact OG-CG 3.38Å; E36-R38 PolarHBondContact O-N 3.26Å; R38-A40 PolarHBondContact O-N 3.49Å; R38-A40 VanDerWaalsContact O-N 3.14Å; R38-D41 WeakPolarHBondContact CB-OD2 3.21Å; R38-D41 PolarHBondContact N-OD2 3.2Å; R38-D41 WeakPolarHBondContact O-CB 3.5Å; R38-D41 PolarHBondContact O-N 2.61Å; R38-F351 HydrophobicContact CG-CD1 4.06Å; R38-F351 HydrophobicContact CG-CE1 4.32Å
39	P	95.3	Very high	95.8	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.026	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.8	176.5	-28	35.4	0	0	0	114.6	D41 I42 L95 F98 W320 I352	P39-D41 PolarHBondContact O-N 3.48Å; P39-I42 PolarHBondContact O-N 3.44Å; P39-L95 HydrophobicContact CB-CD2 4.23Å; P39-F98 HydrophobicContact CB-CB 4.21Å; P39-F98 HydrophobicContact CB-CD1 4Å; P39-F98 HydrophobicContact CB-CD2 3.95Å; P39-F98 HydrophobicContact CB-CE1 4.35Å; P39-F98 HydrophobicContact CB-CE2 4.29Å; P39-F98 HydrophobicContact CB-CG 3.8Å; P39-F98 HydrophobicContact CB-CZ 4.48Å; P39-F98 HydrophobicContact CG-CE1 4.47Å; P39-W320 HydrophobicContact CB-CH2 3.67Å; P39-W320 HydrophobicContact CB-CZ3 4.26Å; P39-W320 HydrophobicContact CG-CH2 3.75Å; P39-W320 HydrophobicContact CG-CZ2 4.46Å; P39-I352 HydrophobicContact CG-CG1 4.42Å
40	A	95.1	Very high	96.1	Very high	6 Å²	6	23.5 Å²	23.5	5%	0.05	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-68.6	-17.6	177.4	0	0	0	0	0	114.1	P26 R38 I42 F98 N99	P26-A40 HydrophobicContact CB-CB 4.01Å; R38-A40 PolarHBondContact O-N 3.49Å; R38-A40 VanDerWaalsContact O-N 3.14Å; A40-I42 VanDerWaalsContact C-N 3.35Å; A40-F98 HydrophobicContact CB-CB 3.93Å; A40-N99 PolarHBondContact O-ND2 3.42Å
41	D	96.6	Very high	96.4	Very high	15 Å²	15	19 Å²	19	8%	0.08	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-79.7	-20.2	179.7	-60	-40.6	0	0	0	112.6	S27 P31 L37 R38 P39 K43	S27-D41 VanDerWaalsContact CB-OD1 3.28Å; S27-D41 WeakPolarHBondContact CB-OD1 3.42Å; S27-D41 WeakPolarHBondContact CB-OD2 3.44Å; S27-D41 PolarHBondContact N-OD1 3.27Å; S27-D41 PolarHBondContact OG-OD1 2.95Å; S27-D41 PolarHBondContact OG-OD2 3.08Å; P31-D41 HydrophobicContact CG-CB 4.19Å; P31-D41 WeakPolarHBondContact CG-OD2 3.38Å; L37-D41 HydrophobicContact CD2-CB 4.04Å; R38-D41 WeakPolarHBondContact CB-OD2 3.21Å; R38-D41 PolarHBondContact N-OD2 3.2Å; R38-D41 WeakPolarHBondContact O-CB 3.5Å; R38-D41 PolarHBondContact O-N 2.61Å; P39-D41 PolarHBondContact O-N 3.48Å; D41-K43 PolarHBondContact O-N 3.41Å
42	I	97.8	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.3	175.9	-57.6	-57.8	0	0	0	109.3	L37 P39 A40 V45 L95 N99 V102 W154 L156 I352	L37-I42 HydrophobicContact CD1-CD1 4.05Å; P39-I42 PolarHBondContact O-N 3.44Å; A40-I42 VanDerWaalsContact C-N 3.35Å; I42-V45 HydrophobicContact CG2-CG1 4.37Å; I42-L95 HydrophobicContact CB-CD2 4.46Å; I42-L95 HydrophobicContact CG2-CD1 4.26Å; I42-N99 PolarHBondContact O-ND2 2.95Å; I42-V102 WeakPolarHBondContact O-CG2 3.27Å; I42-W154 HydrophobicContact CD1-CB 4.29Å; I42-L156 HydrophobicContact CD1-CB 4.33Å; I42-L156 HydrophobicContact CG2-CB 3.85Å; I42-I352 HydrophobicContact CD1-CD1 4.29Å; I42-I352 HydrophobicContact CG1-CD1 4.11Å
43	K	97.9	Very high	96.8	Very high	72 Å²	72	15.2 Å²	15.2	31%	0.313	7%	0.073	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-25.2	178.8	-68.6	-178.7	-177.2	-177.6	0	113.4	D41 V102 K103 D153 W154	D41-K43 PolarHBondContact O-N 3.41Å; K43-V102 CarbonylContact O-C 3.54Å; K43-V102 WeakPolarHBondContact O-CA 3.47Å; K43-K103 PolarHBondContact O-N 3.01Å; K43-D153 HydrophobicContact CB-CB 4.11Å; K43-D153 HydrophobicContact CD-CB 3.93Å; K43-D153 VanDerWaalsContact CD-CG 3.49Å; K43-D153 WeakPolarHBondContact CD-OD1 3.33Å; K43-D153 IonicContact NZ-OD1 2.76Å; K43-D153 PolarHBondContact NZ-OD1 3.17Å; K43-W154 PolarHBondContact N-O 2.87Å
44	V	98.6	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.1	-177.9	-177.4	0	0	0	0	109.1	K103 L119 I148 D153 W154 K155 L156	V44-K103 WeakPolarHBondContact CA-O 3.32Å; V44-L119 HydrophobicContact CG1-CD1 3.45Å; V44-L119 VanDerWaalsContact CG1-CD1 3.45Å; V44-I148 HydrophobicContact CG1-CD1 3.96Å; V44-I148 HydrophobicContact CG2-CB 4.49Å; V44-I148 HydrophobicContact CG2-CD1 4.25Å; V44-I148 HydrophobicContact CG2-CG1 4.02Å; V44-I148 HydrophobicContact CG2-CG2 3.89Å; V44-D153 HydrophobicContact CG2-CB 4.24Å; V44-W154 PolarHBondContact N-O 2.84Å; V44-W154 VanDerWaalsContact N-O 3.13Å; V44-K155 HydrophobicContact CB-CB 4.4Å; V44-K155 HydrophobicContact CB-CG 3.93Å; V44-K155 HydrophobicContact CG1-CG 4.3Å; V44-K155 HydrophobicContact CG2-CG 4.42Å; V44-K155 CarbonylContact O-C 3.46Å; V44-K155 WeakPolarHBondContact O-CA 3.35Å; V44-L156 PolarHBondContact O-N 2.92Å
45	V	98.7	Very high	96.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.6	168.6	-69.1	0	0	0	0	109.3	I42 I79 P92 L95 V102 K103 G104 L156	I42-V45 HydrophobicContact CG2-CG1 4.37Å; V45-I79 VanDerWaalsContact C-CD1 3.46Å; V45-I79 HydrophobicContact CB-CD1 3.75Å; V45-I79 HydrophobicContact CG2-CD1 3.65Å; V45-P92 HydrophobicContact CG2-CB 4.26Å; V45-P92 HydrophobicContact CG2-CG 3.99Å; V45-L95 HydrophobicContact CG1-CD1 3.54Å; V45-V102 HydrophobicContact CG1-CG1 3.93Å; V45-V102 HydrophobicContact CG2-CG1 3.89Å; V45-K103 WeakPolarHBondContact CG2-O 3.42Å; V45-K103 PolarHBondContact N-O 3.25Å; V45-G104 CarbonylContact O-C 3.59Å; V45-G104 WeakPolarHBondContact O-CA 3.22Å; V45-L156 WeakPolarHBondContact CA-O 3.11Å; V45-L156 HydrophobicContact CG1-CB 4.42Å
46	A	98.8	Very high	96.9	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.5	-176.8	0	0	0	0	0	110.4	L119 L138 M142 L156 I157 T158	A46-L119 HydrophobicContact CB-CB 3.95Å; A46-L119 HydrophobicContact CB-CD1 4.13Å; A46-L138 HydrophobicContact CB-CD1 4Å; A46-L138 HydrophobicContact CB-CD2 3.93Å; A46-L138 HydrophobicContact CB-CG 4.37Å; A46-M142 HydrophobicContact CB-SD 4.47Å; A46-L156 PolarHBondContact N-O 3.42Å; A46-I157 HydrophobicContact CB-CG1 4.23Å; A46-I157 CarbonylContact O-C 3.55Å; A46-I157 WeakPolarHBondContact O-CA 3.38Å; A46-T158 PolarHBondContact O-N 3.35Å
47	A	98.7	Very high	96.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.6	177.6	0	0	0	0	0	114.2	T53 I79 L119 Q121 T158	A47-T53 HydrophobicContact CB-CG2 3.82Å; A47-I79 HydrophobicContact CB-CB 3.73Å; A47-I79 HydrophobicContact CB-CD1 4.42Å; A47-I79 HydrophobicContact CB-CG1 3.9Å; A47-I79 HydrophobicContact CB-CG2 3.92Å; A47-L119 PolarHBondContact N-O 3.37Å; A47-Q121 PolarHBondContact O-N 2.79Å; A47-T158 VanDerWaalsContact CA-O 3.24Å; A47-T158 WeakPolarHBondContact CA-O 3.32Å
48	V	98.8	Very high	96.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.5	170.1	-66.6	0	0	0	0	109.4	Q121 I131 Q134 V135 L138 T158 I159 F160	V48-Q121 HydrophobicContact CG1-CB 4.18Å; V48-I131 HydrophobicContact CG2-CG2 4.34Å; V48-Q134 HydrophobicContact CB-CB 4.03Å; V48-Q134 HydrophobicContact CG1-CB 3.71Å; V48-V135 HydrophobicContact CG1-CG2 4.27Å; V48-V135 HydrophobicContact CG2-CG2 4Å; V48-L138 HydrophobicContact CG1-CB 4.31Å; V48-L138 HydrophobicContact CG1-CD2 3.99Å; V48-T158 PolarHBondContact N-O 2.81Å; V48-I159 HydrophobicContact CG2-CB 4.16Å; V48-I159 HydrophobicContact CG2-CD1 4.29Å; V48-I159 HydrophobicContact CG2-CG1 3.69Å; V48-I159 HydrophobicContact CG2-CG2 4.06Å; V48-F160 PolarHBondContact O-N 3.06Å
49	G	98.3	Very high	96.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156	-153.2	-177.4	0	0	0	0	0	113.6	A122 V123 Q134 F160	G49-A122 VanDerWaalsContact O-CA 3.27Å; G49-A122 WeakPolarHBondContact O-CA 3.23Å; G49-A122 WeakPolarHBondContact O-CB 3.32Å; G49-V123 PolarHBondContact O-N 3.41Å; G49-Q134 PolarHBondContact O-NE2 3.3Å; G49-Q134 PolarHBondContact O-OE1 2.9Å; G49-Q134 VanDerWaalsContact O-OE1 3.14Å; G49-F160 WeakPolarHBondContact CA-O 2.87Å
50	D	97.6	Very high	96.1	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	5%	0.047	C	C	.	.	S	Bend	trans	-104.2	-155.1	-176.9	62.3	27.5	0	0	0	113.4	L52 T53 A54 A122 V123 I161 N164	D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 3.41Å; D50-L52 PolarHBondContact OD1-N 3.01Å; D50-T53 PolarHBondContact O-N 3.38Å; D50-A54 WeakPolarHBondContact O-CB 3.16Å; D50-A54 PolarHBondContact O-N 3.45Å; D50-A122 WeakPolarHBondContact O-CB 3.47Å; D50-V123 CarbonylContact C-O 3.6Å; D50-V123 WeakPolarHBondContact CA-O 3.46Å; D50-I161 HydrophobicContact CB-CD1 3.86Å; D50-N164 WeakPolarHBondContact CB-ND2 3.38Å
51	S	96.6	Very high	95.7	Very high	5 Å²	5	11.6 Å²	11.6	4%	0.035	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-28.2	-179.1	53.9	0	0	0	0	114	A54 G55 N56 H306	S51-A54 PolarHBondContact O-N 2.81Å; S51-G55 PolarHBondContact O-N 2.57Å; S51-N56 PolarHBondContact O-N 2.93Å; S51-N56 PolarHBondContact O-OD1 3.14Å; S51-H306 WeakPolarHBondContact CB-NE2 3.4Å; S51-H306 PolarHBondContact OG-CD2 2.84Å; S51-H306 PolarHBondContact OG-NE2 3.29Å
52	L	95.9	Very high	94.7	Very high	22 Å²	22	14.9 Å²	14.9	12%	0.115	9%	0.092	C	C	.	.	H	α-helix	trans	-72	-35.2	176.7	-67.6	178.6	0	0	0	111.4	D50 F160 L307 Q312	D50-L52 VanDerWaalsContact C-N 3.29Å; D50-L52 PolarHBondContact O-N 3.41Å; D50-L52 PolarHBondContact OD1-N 3.01Å; L52-F160 HydrophobicContact CB-CD1 4.42Å; L52-F160 HydrophobicContact CB-CE1 4Å; L52-F160 HydrophobicContact CD1-CE1 3.74Å; L52-F160 HydrophobicContact CD1-CZ 4.3Å; L52-L307 HydrophobicContact CD1-CD1 4.39Å; L52-L307 HydrophobicContact CD2-CB 4.12Å; L52-L307 HydrophobicContact CD2-CD1 4.19Å; L52-L307 HydrophobicContact CD2-CG 3.9Å; L52-Q312 PolarHBondContact O-NE2 3.38Å
53	T	97.8	Very high	93.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-77.3	-32.8	174.5	-57.7	0	0	0	0	111.8	A47 D50 G55 S76 N120 A122	A47-T53 HydrophobicContact CB-CG2 3.82Å; D50-T53 PolarHBondContact O-N 3.38Å; T53-G55 VanDerWaalsContact C-N 3.26Å; T53-G55 PolarHBondContact O-N 2.86Å; T53-S76 WeakPolarHBondContact O-CB 3.32Å; T53-S76 PolarHBondContact O-OG 3.11Å; T53-N120 PolarHBondContact O-ND2 3.23Å; T53-N120 VanDerWaalsContact O-ND2 3.11Å; T53-A122 HydrophobicContact CG2-CB 3.51Å
54	A	97.4	Very high	93.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.2	-18.9	172.3	0	0	0	0	0	113.3	D50 S51 R73 A122 P124	D50-A54 WeakPolarHBondContact O-CB 3.16Å; D50-A54 PolarHBondContact O-N 3.45Å; S51-A54 PolarHBondContact O-N 2.81Å; A54-R73 WeakPolarHBondContact O-CG 3.29Å; A54-A122 HydrophobicContact CB-CB 4.17Å; A54-P124 HydrophobicContact CB-CG 4.08Å
55	G	95.9	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	39	178.3	0	0	0	0	0	114.2	S51 T53 G57 Y72	S51-G55 PolarHBondContact O-N 2.57Å; T53-G55 VanDerWaalsContact C-N 3.26Å; T53-G55 PolarHBondContact O-N 2.86Å; G55-G57 PolarHBondContact O-N 3.26Å; G55-Y72 WeakPolarHBondContact O-CB 3.08Å; G55-Y72 PolarHBondContact O-N 2.74Å
56	N	95.5	Very high	92	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.064	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-59	128.1	174.7	-78.9	61.5	0	0	0	111.5	S51 I58 R70 P124	S51-N56 PolarHBondContact O-N 2.93Å; S51-N56 PolarHBondContact O-OD1 3.14Å; N56-I58 PolarHBondContact O-N 2.51Å; N56-R70 WeakPolarHBondContact CA-O 3.4Å; N56-P124 WeakPolarHBondContact OD1-CG 3.44Å
57	G	92.9	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	9.5	172.1	0	0	0	0	0	116.2	G55 G59 S60 V68 R70 S301	G55-G57 PolarHBondContact O-N 3.26Å; G57-G59 VanDerWaalsContact C-N 3.29Å; G57-G59 PolarHBondContact O-N 3.29Å; G57-S60 WeakPolarHBondContact O-CB 3.13Å; G57-S60 PolarHBondContact O-N 3.04Å; G57-S60 PolarHBondContact O-OG 3.26Å; G57-V68 PolarHBondContact N-O 3.21Å; G57-R70 PolarHBondContact N-O 3.13Å; G57-S301 WeakPolarHBondContact O-CB 3.32Å; G57-S301 PolarHBondContact O-OG 2.85Å
58	I	93.6	Very high	91	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-43.6	-176.9	-67	-176.4	0	0	0	111.7	N56 L75 Q309 Q312	N56-I58 PolarHBondContact O-N 2.51Å; I58-L75 HydrophobicContact CB-CB 4.37Å; I58-L75 HydrophobicContact CD1-CB 4.37Å; I58-L75 HydrophobicContact CG2-CB 3.68Å; I58-L75 HydrophobicContact CG2-CD1 3.93Å; I58-L75 HydrophobicContact CG2-CG 4.48Å; I58-Q309 HydrophobicContact CG2-CB 3.67Å; I58-Q309 HydrophobicContact CG2-CG 3.99Å; I58-Q309 PolarHBondContact O-N 3.18Å; I58-Q312 HydrophobicContact CD1-CB 4.36Å; I58-Q312 VanDerWaalsContact CD1-CD 3.5Å; I58-Q312 HydrophobicContact CD1-CG 3.7Å; I58-Q312 HydrophobicContact CG1-CG 3.94Å
59	G	87.8	Confident	90.5	Very high	15 Å²	15	39 Å²	39	16%	0.155	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.4	178.9	0	0	0	0	0	114.5	G57	G57-G59 VanDerWaalsContact C-N 3.29Å; G57-G59 PolarHBondContact O-N 3.29Å
60	S	88.8	Confident	90.2	Very high	17 Å²	17	45.1 Å²	45.1	12%	0.119	25%	0.245	C	C	.	.			trans	-67.9	138.1	-176.3	63.3	0	0	0	0	111.4	G57 D67 A302	G57-S60 WeakPolarHBondContact O-CB 3.13Å; G57-S60 PolarHBondContact O-N 3.04Å; G57-S60 PolarHBondContact O-OG 3.26Å; S60-D67 WeakPolarHBondContact CA-OD2 3.39Å; S60-A302 PolarHBondContact OG-N 3.08Å
61	S	85.1	Confident	90.1	Very high	73 Å²	73	46.4 Å²	46.4	51%	0.51	25%	0.251	S	S	.	.			trans	-70	145.3	170.2	-69.6	0	0	0	0	109.5	N63 D64 A302	S61-N63 PolarHBondContact O-N 3.17Å; S61-D64 PolarHBondContact O-N 2.99Å; S61-A302 WeakPolarHBondContact O-CB 3.25Å
62	P	76.6	Confident	90.1	Very high	84 Å²	84	47.7 Å²	47.7	55%	0.545	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-25.1	-170.7	-30.7	35.2	0	0	0	116.5	R297 A302	P62-R297 PolarHBondContact O-NH2 3.27Å; P62-A302 WeakPolarHBondContact O-CA 3.49Å; P62-A302 WeakPolarHBondContact O-CB 3.38Å
63	N	78.9	Confident	90.2	Very high	143 Å²	143	46.7 Å²	46.7	77%	0.765	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	5.6	-178.2	-61.5	-32.4	0	0	0	113.9	S61	S61-N63 PolarHBondContact O-N 3.17Å
64	D	86.6	Confident	90.1	Very high	73 Å²	73	46.7 Å²	46.7	39%	0.39	25%	0.25	S	S	.	.			trans	-101.3	79	179.9	-165.2	-14.3	0	0	0	110.9	S61 L66 D67 A302	S61-D64 PolarHBondContact O-N 2.99Å; D64-L66 PolarHBondContact O-N 3.11Å; D64-L66 PolarHBondContact OD1-N 3.21Å; D64-D67 HydrophobicContact CB-CB 4.05Å; D64-D67 VanDerWaalsContact CG-CB 3.46Å; D64-D67 PolarHBondContact O-N 2.99Å; D64-D67 PolarHBondContact OD1-N 3.15Å; D64-A302 WeakPolarHBondContact O-CB 3.17Å
65	I	84.8	Confident	90.1	Very high	66 Å²	66	47.8 Å²	47.8	34%	0.338	26%	0.256	S	S	.	.	S	Bend	trans	-62.7	-32.7	-178	-65.1	166.8	0	0	0	111.4	D67 V68 P224 L227 A302	I65-D67 VanDerWaalsContact C-N 3.31Å; I65-D67 PolarHBondContact O-N 3.17Å; I65-V68 VanDerWaalsContact O-CB 3.29Å; I65-V68 WeakPolarHBondContact O-CB 3.14Å; I65-V68 WeakPolarHBondContact O-CG2 3.32Å; I65-V68 PolarHBondContact O-N 3.31Å; I65-P224 HydrophobicContact CD1-CB 4.03Å; I65-P224 HydrophobicContact CD1-CG 4.21Å; I65-L227 HydrophobicContact CG2-CD2 4.03Å; I65-A302 HydrophobicContact CG1-CB 4.39Å
66	L	85.3	Confident	90.2	Very high	140 Å²	140	47.8 Å²	47.8	73%	0.733	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-70.4	-31.4	-179.3	-67.2	178.5	0	0	0	111.9	D64 V68 L69	D64-L66 PolarHBondContact O-N 3.11Å; D64-L66 PolarHBondContact OD1-N 3.21Å; L66-V68 PolarHBondContact O-N 3Å; L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 2.88Å
67	D	88.6	Confident	90.3	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.08	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-70	-10.7	177.2	-163.3	52.2	0	0	0	113.4	S60 D64 I65 L69 R70 Y72	S60-D67 WeakPolarHBondContact CA-OD2 3.39Å; D64-D67 HydrophobicContact CB-CB 4.05Å; D64-D67 VanDerWaalsContact CG-CB 3.46Å; D64-D67 PolarHBondContact O-N 2.99Å; D64-D67 PolarHBondContact OD1-N 3.15Å; I65-D67 VanDerWaalsContact C-N 3.31Å; I65-D67 PolarHBondContact O-N 3.17Å; D67-L69 PolarHBondContact O-N 3.32Å; D67-R70 WeakPolarHBondContact O-CB 3.44Å; D67-R70 PolarHBondContact O-N 3.33Å; D67-R70 WeakPolarHBondContact OD1-CD 3.33Å; D67-R70 IonicContact OD1-CZ 2.81Å; D67-R70 IonicContact OD1-NE 2.8Å; D67-R70 IonicContact OD1-NH1 2.87Å; D67-R70 PolarHBondContact OD1-NH1 3.44Å; D67-Y72 VanDerWaalsContact CG-OH 3.25Å; D67-Y72 PolarHBondContact OD1-OH 3.4Å; D67-Y72 PolarHBondContact OD2-OH 3.01Å
68	V	87.9	Confident	90.5	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.042	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-63.7	-29.1	171	177.2	0	0	0	0	112	G57 I65 L66 R70 A302 D303	G57-V68 PolarHBondContact N-O 3.21Å; I65-V68 VanDerWaalsContact O-CB 3.29Å; I65-V68 WeakPolarHBondContact O-CB 3.14Å; I65-V68 WeakPolarHBondContact O-CG2 3.32Å; I65-V68 PolarHBondContact O-N 3.31Å; L66-V68 PolarHBondContact O-N 3Å; V68-R70 PolarHBondContact O-N 3.01Å; V68-A302 HydrophobicContact CG2-CB 3.85Å; V68-D303 HydrophobicContact CG1-CB 4.12Å; V68-D303 VanDerWaalsContact CG1-OD2 3.26Å; V68-D303 WeakPolarHBondContact CG1-OD2 3.17Å; V68-D303 HydrophobicContact CG2-CB 4.09Å
69	L	88.3	Confident	90.8	Very high	136 Å²	136	47 Å²	47	71%	0.712	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.4	175.4	-60.3	177.5	0	0	0	112.5	L66 D67	L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 2.88Å; D67-L69 PolarHBondContact O-N 3.32Å
70	R	92.9	Very high	91.2	Very high	129 Å²	129	46.3 Å²	46.3	49%	0.487	24%	0.244	S	C	.	.	S	Bend	trans	-79	131.1	178	-172.8	176	-90	151.9	-7.3	110.3	N56 G57 D67 V68 Y72 V109	N56-R70 WeakPolarHBondContact CA-O 3.4Å; G57-R70 PolarHBondContact N-O 3.13Å; D67-R70 WeakPolarHBondContact O-CB 3.44Å; D67-R70 PolarHBondContact O-N 3.33Å; D67-R70 WeakPolarHBondContact OD1-CD 3.33Å; D67-R70 IonicContact OD1-CZ 2.81Å; D67-R70 IonicContact OD1-NE 2.8Å; D67-R70 IonicContact OD1-NH1 2.87Å; D67-R70 PolarHBondContact OD1-NH1 3.44Å; V68-R70 PolarHBondContact O-N 3.01Å; R70-Y72 HydrophobicContact CB-CD2 4.39Å; R70-Y72 HydrophobicContact CB-CE2 3.86Å; R70-Y72 VanDerWaalsContact CD-CZ 3.47Å; R70-Y72 WeakPolarHBondContact CD-OH 3.42Å; R70-Y72 HydrophobicContact CG-CD2 4.25Å; R70-Y72 HydrophobicContact CG-CE2 3.84Å; R70-Y72 WeakPolarHBondContact O-CD2 3.31Å; R70-V109 HydrophobicContact CG-CG1 3.25Å; R70-V109 HydrophobicContact CG-CG2 4.46Å
71	Q	96.2	Very high	91.6	Very high	31 Å²	31	45.6 Å²	45.6	15%	0.145	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-97.3	96.5	-176.8	-60.6	176.9	35.6	0	0	109.9	R73 V109 G110 P124	Q71-R73 HydrophobicContact CB-CG 4.39Å; Q71-R73 PolarHBondContact O-N 2.75Å; Q71-V109 VanDerWaalsContact O-CA 3.31Å; Q71-V109 WeakPolarHBondContact O-CA 3.31Å; Q71-G110 VanDerWaalsContact CB-O 3.24Å; Q71-G110 WeakPolarHBondContact CB-O 3.33Å; Q71-G110 PolarHBondContact O-N 2.74Å; Q71-G110 PolarHBondContact OE1-O 2.95Å; Q71-P124 HydrophobicContact CG-CG 4.08Å
72	Y	96.8	Very high	92.2	Very high	33 Å²	33	44.1 Å²	44.1	13%	0.129	23%	0.226	C	C	.	.			trans	-80.8	61.3	178.8	-68	-89.9	0	0	0	111	G55 D67 R70 G74 L75 G108 V109	G55-Y72 WeakPolarHBondContact O-CB 3.08Å; G55-Y72 PolarHBondContact O-N 2.74Å; D67-Y72 VanDerWaalsContact CG-OH 3.25Å; D67-Y72 PolarHBondContact OD1-OH 3.4Å; D67-Y72 PolarHBondContact OD2-OH 3.01Å; R70-Y72 HydrophobicContact CB-CD2 4.39Å; R70-Y72 HydrophobicContact CB-CE2 3.86Å; R70-Y72 VanDerWaalsContact CD-CZ 3.47Å; R70-Y72 WeakPolarHBondContact CD-OH 3.42Å; R70-Y72 HydrophobicContact CG-CD2 4.25Å; R70-Y72 HydrophobicContact CG-CE2 3.84Å; R70-Y72 WeakPolarHBondContact O-CD2 3.31Å; Y72-G74 PolarHBondContact O-N 3.04Å; Y72-G74 VanDerWaalsContact O-N 3.13Å; Y72-L75 HydrophobicContact CD1-CD1 4.27Å; Y72-L75 PolarHBondContact O-N 2.99Å; Y72-G108 CarbonylContact C-O 3.6Å; Y72-V109 HydrophobicContact CD1-CG2 3.57Å; Y72-V109 HydrophobicContact CE1-CG2 3.87Å; Y72-V109 HydrophobicContact CG-CG2 4.25Å
73	R	96.5	Very high	93	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56.6	-31.9	-174.7	-69.6	-174.8	-179.8	-94.4	-8.9	113.1	A54 Q71 L75 S76 G80 S106 G108 G110 N111 Q112 N120 A122	A54-R73 WeakPolarHBondContact O-CG 3.29Å; Q71-R73 HydrophobicContact CB-CG 4.39Å; Q71-R73 PolarHBondContact O-N 2.75Å; R73-L75 PolarHBondContact O-N 2.96Å; R73-S76 WeakPolarHBondContact O-CB 3.38Å; R73-S76 PolarHBondContact O-N 3.28Å; R73-G80 VanDerWaalsContact O-CA 3.25Å; R73-G80 WeakPolarHBondContact O-CA 3.25Å; R73-S106 PolarHBondContact O-OG 3.16Å; R73-G108 PolarHBondContact N-O 2.91Å; R73-G110 WeakPolarHBondContact CD-O 3.25Å; R73-G110 WeakPolarHBondContact CG-O 3.4Å; R73-G110 PolarHBondContact NE-O 3.34Å; R73-N111 VanDerWaalsContact NE-C 3.31Å; R73-N111 PolarHBondContact NE-O 3.06Å; R73-Q112 VanDerWaalsContact NH2-N 3.15Å; R73-N120 VanDerWaalsContact NH1-CG 3.25Å; R73-N120 PolarHBondContact NH1-O 3.43Å; R73-N120 PolarHBondContact NH1-OD1 2.76Å; R73-A122 PolarHBondContact NH1-O 3.19Å; R73-A122 VanDerWaalsContact NH1-O 3.12Å; R73-A122 PolarHBondContact NH2-O 2.85Å
74	G	97	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.7	175.4	0	0	0	0	0	114.9	Y72 G80 G81 D82 S106 G108	Y72-G74 PolarHBondContact O-N 3.04Å; Y72-G74 VanDerWaalsContact O-N 3.13Å; G74-G80 CarbonylContact O-C 3.54Å; G74-G80 VanDerWaalsContact O-C 3.28Å; G74-G80 WeakPolarHBondContact O-CA 3.42Å; G74-G81 PolarHBondContact O-N 2.85Å; G74-G81 VanDerWaalsContact O-N 3.13Å; G74-D82 VanDerWaalsContact CA-CG 3.49Å; G74-D82 WeakPolarHBondContact CA-OD2 3.5Å; G74-D82 WeakPolarHBondContact O-CB 3.4Å; G74-D82 PolarHBondContact O-N 3.26Å; G74-S106 WeakPolarHBondContact CA-O 3.18Å; G74-G108 PolarHBondContact N-O 3.07Å
75	L	97.2	Very high	93.9	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.12	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-103.1	0.9	179.5	-55.5	-180	0	0	0	113.6	I58 Y72 R73 W77 D82 V88	I58-L75 HydrophobicContact CB-CB 4.37Å; I58-L75 HydrophobicContact CD1-CB 4.37Å; I58-L75 HydrophobicContact CG2-CB 3.68Å; I58-L75 HydrophobicContact CG2-CD1 3.93Å; I58-L75 HydrophobicContact CG2-CG 4.48Å; Y72-L75 HydrophobicContact CD1-CD1 4.27Å; Y72-L75 PolarHBondContact O-N 2.99Å; R73-L75 PolarHBondContact O-N 2.96Å; L75-W77 PolarHBondContact O-N 3.05Å; L75-D82 HydrophobicContact CD2-CB 4.07Å; L75-V88 HydrophobicContact CD2-CG1 3.73Å; L75-V88 HydrophobicContact CD2-CG2 4.09Å
76	S	97.7	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.			trans	-62.2	129.9	-178.1	176.7	0	0	0	0	111.7	T53 R73 C78 I79 G80 T90	T53-S76 WeakPolarHBondContact O-CB 3.32Å; T53-S76 PolarHBondContact O-OG 3.11Å; R73-S76 WeakPolarHBondContact O-CB 3.38Å; R73-S76 PolarHBondContact O-N 3.28Å; S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 2.56Å; S76-C78 VanDerWaalsContact O-N 3.16Å; S76-I79 PolarHBondContact O-N 2.71Å; S76-G80 WeakPolarHBondContact O-CA 3.46Å; S76-G80 PolarHBondContact O-N 2.92Å; S76-T90 VanDerWaalsContact O-CG2 3.25Å; S76-T90 WeakPolarHBondContact O-CG2 3.42Å
77	W	97.4	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.9	-173.4	65.6	-69.6	0	0	0	115.4	L75 T90 L91 T158 F160 V204 F281 Q312 M315 A316 L319	L75-W77 PolarHBondContact O-N 3.05Å; W77-T90 CarbonylContact O-C 3.53Å; W77-T90 WeakPolarHBondContact O-CA 3.44Å; W77-L91 PolarHBondContact O-N 3.14Å; W77-T158 HydrophobicContact CH2-CG2 4.42Å; W77-F160 HydrophobicContact CZ2-CB 4.13Å; W77-F160 HydrophobicContact CZ2-CD1 4.08Å; W77-F160 HydrophobicContact CZ2-CG 4.11Å; W77-V204 HydrophobicContact CH2-CB 4.27Å; W77-V204 HydrophobicContact CH2-CG1 3.98Å; W77-V204 HydrophobicContact CH2-CG2 3.66Å; W77-V204 HydrophobicContact CZ2-CG2 4.49Å; W77-F281 AromaticContact CH2-CZ 3.93Å; W77-F281 HydrophobicContact CH2-CZ 3.93Å; W77-F281 HydrophobicContact CZ3-CE1 4.32Å; W77-F281 AromaticContact CZ3-CZ 3.66Å; W77-F281 HydrophobicContact CZ3-CZ 3.66Å; W77-Q312 HydrophobicContact CB-CB 4.23Å; W77-Q312 WeakPolarHBondContact CB-O 3.5Å; W77-Q312 VanDerWaalsContact CG-OE1 3.3Å; W77-M315 HydrophobicContact CB-CB 4.09Å; W77-M315 HydrophobicContact CD2-CB 3.95Å; W77-M315 HydrophobicContact CD2-CE 3.93Å; W77-M315 HydrophobicContact CE3-CB 3.76Å; W77-M315 HydrophobicContact CE3-CE 4.37Å; W77-M315 HydrophobicContact CG-CB 4.13Å; W77-M315 HydrophobicContact CG-CE 4.37Å; W77-M315 HydrophobicContact CG-SD 4.47Å; W77-M315 HydrophobicContact CH2-CE 4.25Å; W77-M315 HydrophobicContact CZ2-CE 3.85Å; W77-M315 HydrophobicContact CZ3-CB 4.42Å; W77-M315 HydrophobicContact CZ3-CE 4.5Å; W77-A316 HydrophobicContact CB-CB 4.21Å; W77-A316 VanDerWaalsContact O-CB 3.31Å; W77-A316 WeakPolarHBondContact O-CB 3.11Å; W77-L319 HydrophobicContact CE3-CB 4.35Å; W77-L319 HydrophobicContact CE3-CD2 4.06Å; W77-L319 HydrophobicContact CH2-CD2 4.11Å; W77-L319 HydrophobicContact CZ3-CB 3.75Å; W77-L319 HydrophobicContact CZ3-CD2 3.41Å; W77-L319 VanDerWaalsContact CZ3-CD2 3.41Å; W77-L319 HydrophobicContact CZ3-CG 4.12Å
78	C	97.6	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-14.6	-174	60.6	0	0	0	0	114.5	S76 T158 L319	S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 2.56Å; S76-C78 VanDerWaalsContact O-N 3.16Å; C78-T158 HydrophobicContact CB-CG2 3.86Å; C78-L319 HydrophobicContact CB-CD2 4.14Å
79	I	98.3	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.1	-5.2	-169.7	-164.3	58.2	0	0	0	115.2	V45 A47 S76 Y105 S106 N120	V45-I79 VanDerWaalsContact C-CD1 3.46Å; V45-I79 HydrophobicContact CB-CD1 3.75Å; V45-I79 HydrophobicContact CG2-CD1 3.65Å; A47-I79 HydrophobicContact CB-CB 3.73Å; A47-I79 HydrophobicContact CB-CD1 4.42Å; A47-I79 HydrophobicContact CB-CG1 3.9Å; A47-I79 HydrophobicContact CB-CG2 3.92Å; S76-I79 PolarHBondContact O-N 2.71Å; I79-Y105 CarbonylContact O-C 3.6Å; I79-Y105 WeakPolarHBondContact O-CA 3.23Å; I79-Y105 WeakPolarHBondContact O-CB 3.34Å; I79-S106 PolarHBondContact O-N 2.82Å; I79-S106 PolarHBondContact O-OG 3.31Å; I79-N120 HydrophobicContact CG1-CB 3.95Å; I79-N120 HydrophobicContact CG2-CB 3.76Å; I79-N120 VanDerWaalsContact CG2-CG 3.46Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.08Å
80	G	98	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-75.1	145.9	175.8	0	0	0	0	0	112.8	R73 G74 S76 T90 P92	R73-G80 VanDerWaalsContact O-CA 3.25Å; R73-G80 WeakPolarHBondContact O-CA 3.25Å; G74-G80 CarbonylContact O-C 3.54Å; G74-G80 VanDerWaalsContact O-C 3.28Å; G74-G80 WeakPolarHBondContact O-CA 3.42Å; S76-G80 WeakPolarHBondContact O-CA 3.46Å; S76-G80 PolarHBondContact O-N 2.92Å; G80-T90 VanDerWaalsContact O-CB 3.23Å; G80-T90 WeakPolarHBondContact O-CB 3.4Å; G80-T90 PolarHBondContact O-OG1 3.46Å; G80-P92 WeakPolarHBondContact O-CD 3.28Å; G80-P92 WeakPolarHBondContact O-CG 3.33Å
81	G	96.8	Very high	95.7	Very high	3 Å²	3	19.6 Å²	19.6	3%	0.031	12%	0.12	C	C	.	.			trans	-131.6	16.6	-179.8	0	0	0	0	0	115.2	G74 K96 S106 L107	G74-G81 PolarHBondContact O-N 2.85Å; G74-G81 VanDerWaalsContact O-N 3.13Å; G81-K96 PolarHBondContact O-NZ 3.43Å; G81-S106 PolarHBondContact N-O 2.86Å; G81-L107 WeakPolarHBondContact O-CD2 3.34Å
82	D	96.6	Very high	95.8	Very high	42 Å²	42	18.1 Å²	18.1	23%	0.225	11%	0.113	C	C	.	.	S	Bend	trans	-62.5	140.7	173.7	-77.2	-7.7	0	0	0	110.1	G74 L75 V88 N93 L107 G108	G74-D82 VanDerWaalsContact CA-CG 3.49Å; G74-D82 WeakPolarHBondContact CA-OD2 3.5Å; G74-D82 WeakPolarHBondContact O-CB 3.4Å; G74-D82 PolarHBondContact O-N 3.26Å; L75-D82 HydrophobicContact CD2-CB 4.07Å; D82-V88 WeakPolarHBondContact O-CB 3.01Å; D82-N93 PolarHBondContact O-ND2 2.74Å; D82-L107 WeakPolarHBondContact OD1-CA 3.37Å; D82-L107 WeakPolarHBondContact OD1-CD2 3.37Å; D82-G108 PolarHBondContact OD1-N 3.06Å; D82-G108 PolarHBondContact OD2-N 2.8Å
83	G	93.4	Very high	95.8	Very high	51 Å²	51	16.6 Å²	16.6	53%	0.526	11%	0.107	S	C	.	.	S	Bend	trans	63.1	-146.4	-177.7	0	0	0	0	0	113.8	K96	G83-K96 PolarHBondContact O-NZ 3.11Å
84	D	92.5	Very high	95.8	Very high	73 Å²	73	16.6 Å²	16.6	39%	0.39	11%	0.107	S	C	.	.			trans	-136.7	178.4	177	60.2	34.4	0	0	0	110.3	T86 T87 V88	D84-T86 PolarHBondContact O-N 3.04Å; D84-T86 VanDerWaalsContact O-N 3.17Å; D84-T86 WeakPolarHBondContact OD1-CA 3.17Å; D84-T86 PolarHBondContact OD1-N 2.88Å; D84-T86 PolarHBondContact OD1-OG1 2.68Å; D84-T87 PolarHBondContact N-OG1 3.46Å; D84-T87 PolarHBondContact O-N 2.01Å; D84-T87 PolarHBondContact O-OG1 3.19Å; D84-T87 VanDerWaalsContact O-OG1 3.1Å; D84-T87 PolarHBondContact OD1-N 3.01Å; D84-T87 VanDerWaalsContact OD1-N 3.07Å; D84-T87 PolarHBondContact OD1-OG1 3.09Å; D84-V88 CarbonylContact O-C 3.51Å; D84-V88 PolarHBondContact O-N 2.72Å
85	L	92.9	Very high	95.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.2	-177.7	-172.9	59.9	0	0	0	113.1	G16 T17 L19 T87 T89 I94 H97 L342	G16-L85 CarbonylContact C-O 3.58Å; G16-L85 WeakPolarHBondContact CA-O 3.35Å; T17-L85 PolarHBondContact N-O 3.28Å; T17-L85 WeakPolarHBondContact O-CG 3.39Å; L19-L85 HydrophobicContact CB-CD2 3.63Å; L19-L85 HydrophobicContact CD2-CD2 4.48Å; L85-T87 PolarHBondContact O-N 3.31Å; L85-T89 HydrophobicContact CD1-CG2 4.02Å; L85-I94 HydrophobicContact CD1-CB 4.45Å; L85-I94 HydrophobicContact CD1-CG1 3.5Å; L85-I94 VanDerWaalsContact CD1-CG1 3.5Å; L85-H97 WeakPolarHBondContact CB-NE2 3.48Å; L85-L342 HydrophobicContact CD1-CD1 4.33Å; L85-L342 HydrophobicContact CD2-CD1 4.41Å
86	T	90.4	Very high	95.7	Very high	70 Å²	70	17 Å²	17	43%	0.429	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.6	-179.6	71.8	0	0	0	0	113.3	H14 G16 D84	H14-T86 PolarHBondContact CE1-O 2.87Å; H14-T86 PolarHBondContact ND1-O 2.69Å; G16-T86 VanDerWaalsContact CA-C 3.44Å; G16-T86 VanDerWaalsContact CA-O 3.31Å; G16-T86 WeakPolarHBondContact CA-O 3.04Å; D84-T86 PolarHBondContact O-N 3.04Å; D84-T86 VanDerWaalsContact O-N 3.17Å; D84-T86 WeakPolarHBondContact OD1-CA 3.17Å; D84-T86 PolarHBondContact OD1-N 2.88Å; D84-T86 PolarHBondContact OD1-OG1 2.68Å
87	T	89.9	Confident	95.4	Very high	63 Å²	63	19.5 Å²	19.5	39%	0.387	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-36.8	-178.3	49.5	0	0	0	0	113.2	T15 D84 L85	T15-T87 PolarHBondContact OG1-O 3.04Å; T15-T87 VanDerWaalsContact OG1-O 3.04Å; D84-T87 PolarHBondContact N-OG1 3.46Å; D84-T87 PolarHBondContact O-N 2.01Å; D84-T87 PolarHBondContact O-OG1 3.19Å; D84-T87 VanDerWaalsContact O-OG1 3.1Å; D84-T87 PolarHBondContact OD1-N 3.01Å; D84-T87 VanDerWaalsContact OD1-N 3.07Å; D84-T87 PolarHBondContact OD1-OG1 3.09Å; L85-T87 PolarHBondContact O-N 3.31Å
88	V	92.9	Very high	95.3	Very high	16 Å²	16	20.4 Å²	20.4	10%	0.097	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-142.5	113.4	-178.2	-177.9	0	0	0	0	108.8	L75 D82 D84 T90 N93	L75-V88 HydrophobicContact CD2-CG1 3.73Å; L75-V88 HydrophobicContact CD2-CG2 4.09Å; D82-V88 WeakPolarHBondContact O-CB 3.01Å; D84-V88 CarbonylContact O-C 3.51Å; D84-V88 PolarHBondContact O-N 2.72Å; V88-T90 HydrophobicContact CG1-CG2 4.05Å; V88-T90 PolarHBondContact O-N 3.15Å; V88-N93 PolarHBondContact O-ND2 2.9Å
89	T	95.3	Very high	95.1	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	13%	0.129	C	C	.	.			trans	-87.4	109.6	179.8	-54.2	0	0	0	0	111.2	T15 T17 L85 I94 T313 A316 R317	T15-T89 WeakPolarHBondContact O-CB 3.42Å; T15-T89 PolarHBondContact O-N 2.98Å; T15-T89 PolarHBondContact O-OG1 2.76Å; T17-T89 WeakPolarHBondContact CB-OG1 3.4Å; T17-T89 PolarHBondContact N-OG1 3.18Å; T17-T89 WeakPolarHBondContact OG1-CG2 3.39Å; T17-T89 PolarHBondContact OG1-OG1 3.39Å; L85-T89 HydrophobicContact CD1-CG2 4.02Å; T89-I94 HydrophobicContact CG2-CD1 4.36Å; T89-T313 HydrophobicContact CG2-CG2 4.19Å; T89-A316 HydrophobicContact CG2-CB 4.39Å; T89-R317 HydrophobicContact CG2-CG 3.85Å
90	T	97.5	Very high	94.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.163	C	C	.	.			trans	-136.9	160.6	172.3	61.6	0	0	0	0	109.6	S76 W77 G80 V88 N93 I94	S76-T90 VanDerWaalsContact O-CG2 3.25Å; S76-T90 WeakPolarHBondContact O-CG2 3.42Å; W77-T90 CarbonylContact O-C 3.53Å; W77-T90 WeakPolarHBondContact O-CA 3.44Å; G80-T90 VanDerWaalsContact O-CB 3.23Å; G80-T90 WeakPolarHBondContact O-CB 3.4Å; G80-T90 PolarHBondContact O-OG1 3.46Å; V88-T90 HydrophobicContact CG1-CG2 4.05Å; V88-T90 PolarHBondContact O-N 3.15Å; T90-N93 PolarHBondContact O-N 2.87Å; T90-N93 VanDerWaalsContact O-N 3.08Å; T90-N93 WeakPolarHBondContact OG1-CB 3.41Å; T90-N93 VanDerWaalsContact OG1-CG 3.31Å; T90-N93 PolarHBondContact OG1-N 2.91Å; T90-N93 PolarHBondContact OG1-ND2 3.22Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.95Å
91	L	98	Very high	94.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-54.9	-44.6	177	177	65.7	0	0	0	112.9	W77 N93 I94 L95 L156 L319 W320 M323	W77-L91 PolarHBondContact O-N 3.14Å; L91-N93 PolarHBondContact O-N 3.05Å; L91-I94 PolarHBondContact O-N 3.33Å; L91-L95 HydrophobicContact CD1-CD1 4.25Å; L91-L95 HydrophobicContact CD1-CG 4.35Å; L91-L95 HydrophobicContact CG-CD1 4.09Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.28Å; L91-L156 HydrophobicContact CD2-CD2 3.86Å; L91-L156 HydrophobicContact CG-CD2 4.49Å; L91-L319 HydrophobicContact CD2-CD2 3.78Å; L91-W320 HydrophobicContact CD1-CE3 3.94Å; L91-M323 HydrophobicContact CD1-SD 4.14Å
92	P	98.1	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-37.2	174.8	-23.9	35.5	0	0	0	113.4	V45 G80 I94 L95 K96 Y105	V45-P92 HydrophobicContact CG2-CB 4.26Å; V45-P92 HydrophobicContact CG2-CG 3.99Å; G80-P92 WeakPolarHBondContact O-CD 3.28Å; G80-P92 WeakPolarHBondContact O-CG 3.33Å; P92-I94 VanDerWaalsContact C-N 3.32Å; P92-I94 PolarHBondContact O-N 3.24Å; P92-L95 PolarHBondContact O-N 3.32Å; P92-K96 WeakPolarHBondContact O-CB 3.34Å; P92-K96 WeakPolarHBondContact O-CG 3.42Å; P92-K96 PolarHBondContact O-N 2.91Å; P92-Y105 HydrophobicContact CB-CD1 4.25Å; P92-Y105 HydrophobicContact CB-CG 4.19Å
93	N	97.4	Very high	94.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-33.9	176.8	-74.3	-8.8	0	0	0	111.9	D82 V88 T90 L91 K96 H97	D82-N93 PolarHBondContact O-ND2 2.74Å; V88-N93 PolarHBondContact O-ND2 2.9Å; T90-N93 PolarHBondContact O-N 2.87Å; T90-N93 VanDerWaalsContact O-N 3.08Å; T90-N93 WeakPolarHBondContact OG1-CB 3.41Å; T90-N93 VanDerWaalsContact OG1-CG 3.31Å; T90-N93 PolarHBondContact OG1-N 2.91Å; T90-N93 PolarHBondContact OG1-ND2 3.22Å; L91-N93 PolarHBondContact O-N 3.05Å; N93-K96 WeakPolarHBondContact OD1-CE 3.25Å; N93-K96 PolarHBondContact OD1-NZ 3.26Å; N93-H97 PolarHBondContact O-CD2 3.28Å
94	I	96.6	Very high	94.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-49.1	170.5	-61.1	165	0	0	0	110.4	L19 L85 T89 T90 L91 P92 K96 H97 F98 W320 L342	L19-I94 HydrophobicContact CD2-CG2 4.31Å; L85-I94 HydrophobicContact CD1-CB 4.45Å; L85-I94 HydrophobicContact CD1-CG1 3.5Å; L85-I94 VanDerWaalsContact CD1-CG1 3.5Å; T89-I94 HydrophobicContact CG2-CD1 4.36Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.95Å; L91-I94 PolarHBondContact O-N 3.33Å; P92-I94 VanDerWaalsContact C-N 3.32Å; P92-I94 PolarHBondContact O-N 3.24Å; I94-K96 VanDerWaalsContact C-N 3.28Å; I94-K96 PolarHBondContact O-N 3.24Å; I94-H97 WeakPolarHBondContact O-CB 3.22Å; I94-H97 PolarHBondContact O-N 2.9Å; I94-F98 HydrophobicContact CG2-CE2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.32Å; I94-W320 HydrophobicContact CB-CE3 4.32Å; I94-W320 HydrophobicContact CD1-CB 3.83Å; I94-W320 HydrophobicContact CD1-CD2 4.49Å; I94-W320 HydrophobicContact CD1-CG 4.09Å; I94-W320 HydrophobicContact CG2-CD2 3.5Å; I94-W320 VanDerWaalsContact CG2-CD2 3.5Å; I94-W320 HydrophobicContact CG2-CE3 3.51Å; I94-W320 HydrophobicContact CG2-CG 4.11Å; I94-W320 HydrophobicContact CG2-CH2 3.89Å; I94-W320 HydrophobicContact CG2-CZ2 3.91Å; I94-W320 HydrophobicContact CG2-CZ3 3.71Å; I94-L342 HydrophobicContact CD1-CD1 4.07Å; I94-L342 HydrophobicContact CD1-CD2 3.86Å; I94-L342 HydrophobicContact CG1-CD1 4.04Å
95	L	96.7	Very high	95.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-33.4	-179.8	-73	167.9	0	0	0	113	P39 I42 V45 L91 P92 H97 F98 N99 V102 L156 W320	P39-L95 HydrophobicContact CB-CD2 4.23Å; I42-L95 HydrophobicContact CB-CD2 4.46Å; I42-L95 HydrophobicContact CG2-CD1 4.26Å; V45-L95 HydrophobicContact CG1-CD1 3.54Å; L91-L95 HydrophobicContact CD1-CD1 4.25Å; L91-L95 HydrophobicContact CD1-CG 4.35Å; L91-L95 HydrophobicContact CG-CD1 4.09Å; L91-L95 WeakPolarHBondContact O-CG 3.43Å; L91-L95 PolarHBondContact O-N 3.28Å; P92-L95 PolarHBondContact O-N 3.32Å; L95-H97 PolarHBondContact O-N 2.86Å; L95-H97 VanDerWaalsContact O-N 3.14Å; L95-F98 WeakPolarHBondContact O-CB 3.5Å; L95-F98 PolarHBondContact O-N 3.47Å; L95-N99 PolarHBondContact O-N 3.33Å; L95-V102 HydrophobicContact CB-CG2 4.17Å; L95-L156 HydrophobicContact CD1-CD2 3.93Å; L95-W320 HydrophobicContact CD2-CZ3 3.85Å; L95-W320 HydrophobicContact CG-CZ3 4.37Å
96	K	95.3	Very high	95.3	Very high	33 Å²	33	33.7 Å²	33.7	14%	0.143	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.4	174.8	-80.9	-174	-62.4	-178.4	0	113.6	G81 G83 P92 N93 I94 F98 N99 H100 Y105	G81-K96 PolarHBondContact O-NZ 3.43Å; G83-K96 PolarHBondContact O-NZ 3.11Å; P92-K96 WeakPolarHBondContact O-CB 3.34Å; P92-K96 WeakPolarHBondContact O-CG 3.42Å; P92-K96 PolarHBondContact O-N 2.91Å; N93-K96 WeakPolarHBondContact OD1-CE 3.25Å; N93-K96 PolarHBondContact OD1-NZ 3.26Å; I94-K96 VanDerWaalsContact C-N 3.28Å; I94-K96 PolarHBondContact O-N 3.24Å; K96-F98 VanDerWaalsContact C-N 3.28Å; K96-N99 WeakPolarHBondContact CA-O 3.29Å; K96-H100 PolarHBondContact O-CE1 3.23Å; K96-H100 VanDerWaalsContact O-CE1 3.25Å; K96-H100 PolarHBondContact O-ND1 2.97Å; K96-Y105 HydrophobicContact CD-CE1 4.31Å
97	H	92.8	Very high	95.7	Very high	52 Å²	52	32.8 Å²	32.8	24%	0.241	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.5	172.1	-82.9	-111.2	0	0	0	113.5	L19 L85 N93 I94 L95	L19-H97 HydrophobicContact CD2-CB 4Å; L85-H97 WeakPolarHBondContact CB-NE2 3.48Å; N93-H97 PolarHBondContact O-CD2 3.28Å; I94-H97 WeakPolarHBondContact O-CB 3.22Å; I94-H97 PolarHBondContact O-N 2.9Å; L95-H97 PolarHBondContact O-N 2.86Å; L95-H97 VanDerWaalsContact O-N 3.14Å
98	F	93.5	Very high	95.9	Very high	19 Å²	19	30.6 Å²	30.6	8%	0.083	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-38.7	177.7	-63.5	-87.3	0	0	0	111.4	L19 C21 R24 P39 A40 I94 L95 K96 W320	L19-F98 HydrophobicContact CD2-CD2 4.39Å; L19-F98 HydrophobicContact CD2-CE2 3.45Å; L19-F98 VanDerWaalsContact CD2-CE2 3.45Å; L19-F98 HydrophobicContact CD2-CZ 3.72Å; C21-F98 HydrophobicContact CB-CE1 4.38Å; C21-F98 HydrophobicContact CB-CZ 4.25Å; R24-F98 HydrophobicContact CB-CD1 3.96Å; R24-F98 HydrophobicContact CB-CE1 4.39Å; R24-F98 HydrophobicContact CG-CD1 4.17Å; R24-F98 HydrophobicContact CG-CE1 4.15Å; P39-F98 HydrophobicContact CB-CB 4.21Å; P39-F98 HydrophobicContact CB-CD1 4Å; P39-F98 HydrophobicContact CB-CD2 3.95Å; P39-F98 HydrophobicContact CB-CE1 4.35Å; P39-F98 HydrophobicContact CB-CE2 4.29Å; P39-F98 HydrophobicContact CB-CG 3.8Å; P39-F98 HydrophobicContact CB-CZ 4.48Å; P39-F98 HydrophobicContact CG-CE1 4.47Å; A40-F98 HydrophobicContact CB-CB 3.93Å; I94-F98 HydrophobicContact CG2-CE2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.32Å; L95-F98 WeakPolarHBondContact O-CB 3.5Å; L95-F98 PolarHBondContact O-N 3.47Å; K96-F98 VanDerWaalsContact C-N 3.28Å; F98-W320 AromaticContact CD2-CH2 3.89Å; F98-W320 HydrophobicContact CD2-CH2 3.89Å; F98-W320 HydrophobicContact CD2-CZ2 4.47Å; F98-W320 AromaticContact CE2-CH2 3.27Å; F98-W320 HydrophobicContact CE2-CH2 3.27Å; F98-W320 AromaticContact CE2-CZ2 3.45Å; F98-W320 HydrophobicContact CE2-CZ2 3.45Å; F98-W320 VanDerWaalsContact CE2-CZ2 3.45Å; F98-W320 HydrophobicContact CE2-CZ3 4.35Å; F98-W320 AromaticContact CZ-CH2 3.83Å; F98-W320 HydrophobicContact CZ-CH2 3.83Å; F98-W320 AromaticContact CZ-CZ2 3.69Å; F98-W320 HydrophobicContact CZ-CZ2 3.69Å
99	N	94.3	Very high	96.1	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.128	17%	0.165	C	C	.	.			trans	-141.1	102.6	178.2	179.4	7.6	0	0	0	110.8	A40 I42 L95 K96 N101 V102	A40-N99 PolarHBondContact O-ND2 3.42Å; I42-N99 PolarHBondContact O-ND2 2.95Å; L95-N99 PolarHBondContact O-N 3.33Å; K96-N99 WeakPolarHBondContact CA-O 3.29Å; N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 WeakPolarHBondContact OD1-CB 3.43Å; N99-N101 PolarHBondContact OD1-N 3.22Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 VanDerWaalsContact O-CG2 3.26Å; N99-V102 WeakPolarHBondContact O-CG2 3.21Å; N99-V102 PolarHBondContact O-N 3.08Å
100	H	93.3	Very high	96	Very high	155 Å²	155	33.3 Å²	33.3	72%	0.718	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-13.7	178.5	-64	-62.8	0	0	0	114.2	K96	K96-H100 PolarHBondContact O-CE1 3.23Å; K96-H100 VanDerWaalsContact O-CE1 3.25Å; K96-H100 PolarHBondContact O-ND1 2.97Å
101	N	94	Very high	95.9	Very high	122 Å²	122	36.8 Å²	36.8	65%	0.652	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	11.4	-177.8	-60.7	-51.8	0	0	0	113.8	N99 K103	N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 WeakPolarHBondContact OD1-CB 3.43Å; N99-N101 PolarHBondContact OD1-N 3.22Å; N101-K103 VanDerWaalsContact O-CG 3.26Å; N101-K103 WeakPolarHBondContact O-CG 3.32Å; N101-K103 PolarHBondContact O-N 2.97Å
102	V	96.9	Very high	95.7	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	20%	0.201	C	C	.	.			trans	-56.2	137.8	173.8	170.7	0	0	0	0	110	I42 K43 V45 L95 N99 Y105	I42-V102 WeakPolarHBondContact O-CG2 3.27Å; K43-V102 CarbonylContact O-C 3.54Å; K43-V102 WeakPolarHBondContact O-CA 3.47Å; V45-V102 HydrophobicContact CG1-CG1 3.93Å; V45-V102 HydrophobicContact CG2-CG1 3.89Å; L95-V102 HydrophobicContact CB-CG2 4.17Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 VanDerWaalsContact O-CG2 3.26Å; N99-V102 WeakPolarHBondContact O-CG2 3.21Å; N99-V102 PolarHBondContact O-N 3.08Å; V102-Y105 HydrophobicContact CG1-CD1 4.46Å; V102-Y105 VanDerWaalsContact O-CE1 3.23Å; V102-Y105 WeakPolarHBondContact O-CE1 3.37Å
103	K	96.4	Very high	95.5	Very high	81 Å²	81	44 Å²	44	35%	0.352	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-126.4	168	-176.9	-48.5	-176.1	-171.9	174.8	0	111.4	K43 V44 V45 N101 N147	K43-K103 PolarHBondContact O-N 3.01Å; V44-K103 WeakPolarHBondContact CA-O 3.32Å; V45-K103 WeakPolarHBondContact CG2-O 3.42Å; V45-K103 PolarHBondContact N-O 3.25Å; N101-K103 VanDerWaalsContact O-CG 3.26Å; N101-K103 WeakPolarHBondContact O-CG 3.32Å; N101-K103 PolarHBondContact O-N 2.97Å; K103-N147 HydrophobicContact CD-CB 4.04Å; K103-N147 WeakPolarHBondContact CD-O 3.5Å; K103-N147 PolarHBondContact NZ-O 2.74Å
104	G	96.8	Very high	95.4	Very high	7 Å²	7	46 Å²	46	7%	0.072	24%	0.239	C	C	.	.			trans	92.3	-11.7	173.1	0	0	0	0	0	115.2	V45 F118 L119	V45-G104 CarbonylContact O-C 3.59Å; V45-G104 WeakPolarHBondContact O-CA 3.22Å; G104-F118 WeakPolarHBondContact O-CB 3.47Å; G104-L119 WeakPolarHBondContact O-CB 3.06Å; G104-L119 PolarHBondContact O-N 2.83Å
105	Y	97.8	Very high	95.2	Very high	56 Å²	56	51.3 Å²	51.3	22%	0.22	27%	0.274	C	S	.	.			trans	-65.6	147.7	174.9	59.6	-103.6	0	0	0	111.8	I79 P92 K96 V102 L107 F118	I79-Y105 CarbonylContact O-C 3.6Å; I79-Y105 WeakPolarHBondContact O-CA 3.23Å; I79-Y105 WeakPolarHBondContact O-CB 3.34Å; P92-Y105 HydrophobicContact CB-CD1 4.25Å; P92-Y105 HydrophobicContact CB-CG 4.19Å; K96-Y105 HydrophobicContact CD-CE1 4.31Å; V102-Y105 HydrophobicContact CG1-CD1 4.46Å; V102-Y105 VanDerWaalsContact O-CE1 3.23Å; V102-Y105 WeakPolarHBondContact O-CE1 3.37Å; Y105-L107 HydrophobicContact CD2-CD2 4.08Å; Y105-L107 HydrophobicContact CD2-CG 4.15Å; Y105-L107 HydrophobicContact CE2-CD1 4.19Å; Y105-L107 HydrophobicContact CE2-CD2 3.77Å; Y105-L107 HydrophobicContact CE2-CG 3.92Å; Y105-F118 WeakPolarHBondContact O-CD2 3.22Å
106	S	98	Very high	95.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-82.8	151.5	177.8	43.9	0	0	0	0	112.6	R73 G74 I79 G81 Q116 N120	R73-S106 PolarHBondContact O-OG 3.16Å; G74-S106 WeakPolarHBondContact CA-O 3.18Å; I79-S106 PolarHBondContact O-N 2.82Å; I79-S106 PolarHBondContact O-OG 3.31Å; G81-S106 PolarHBondContact N-O 2.86Å; S106-Q116 CarbonylContact C-O 3.34Å; S106-Q116 VanDerWaalsContact CA-O 3.31Å; S106-Q116 WeakPolarHBondContact CA-O 3.32Å; S106-N120 PolarHBondContact OG-ND2 3.32Å
107	L	97.6	Very high	95.1	Very high	50 Å²	50	54.3 Å²	54.3	26%	0.262	29%	0.288	S	S	.	.			trans	-127	147.9	177.9	-70.1	175.4	0	0	0	110.9	G81 D82 Y105 Q116 F118	G81-L107 WeakPolarHBondContact O-CD2 3.34Å; D82-L107 WeakPolarHBondContact OD1-CA 3.37Å; D82-L107 WeakPolarHBondContact OD1-CD2 3.37Å; Y105-L107 HydrophobicContact CD2-CD2 4.08Å; Y105-L107 HydrophobicContact CD2-CG 4.15Å; Y105-L107 HydrophobicContact CE2-CD1 4.19Å; Y105-L107 HydrophobicContact CE2-CD2 3.77Å; Y105-L107 HydrophobicContact CE2-CG 3.92Å; L107-Q116 HydrophobicContact CB-CB 4.32Å; L107-Q116 PolarHBondContact N-O 2.87Å; L107-Q116 VanDerWaalsContact O-CB 3.29Å; L107-Q116 WeakPolarHBondContact O-CB 3.29Å; L107-F118 HydrophobicContact CD1-CE2 4.27Å
108	G	95.6	Very high	95.2	Very high	18 Å²	18	56 Å²	56	19%	0.186	30%	0.295	C	S	.	.	S	Bend	trans	58.7	-140.3	173.2	0	0	0	0	0	114.5	Y72 R73 G74 D82	Y72-G108 CarbonylContact C-O 3.6Å; R73-G108 PolarHBondContact N-O 2.91Å; G74-G108 PolarHBondContact N-O 3.07Å; D82-G108 PolarHBondContact OD1-N 3.06Å; D82-G108 PolarHBondContact OD2-N 2.8Å
109	V	95.6	Very high	95.5	Very high	59 Å²	59	55.2 Å²	55.2	36%	0.358	29%	0.292	S	S	.	.	S	Bend	trans	-125.1	135	-170.3	174.6	0	0	0	0	110.3	R70 Q71 Y72 N114	R70-V109 HydrophobicContact CG-CG1 3.25Å; R70-V109 HydrophobicContact CG-CG2 4.46Å; Q71-V109 VanDerWaalsContact O-CA 3.31Å; Q71-V109 WeakPolarHBondContact O-CA 3.31Å; Y72-V109 HydrophobicContact CD1-CG2 3.57Å; Y72-V109 HydrophobicContact CE1-CG2 3.87Å; Y72-V109 HydrophobicContact CG-CG2 4.25Å; V109-N114 PolarHBondContact O-ND2 3.31Å
110	G	93.8	Very high	95.7	Very high	16 Å²	16	54.1 Å²	54.1	17%	0.165	29%	0.286	C	S	.	.			trans	165.1	170.4	175.6	0	0	0	0	0	113.9	Q71 R73	Q71-G110 VanDerWaalsContact CB-O 3.24Å; Q71-G110 WeakPolarHBondContact CB-O 3.33Å; Q71-G110 PolarHBondContact O-N 2.74Å; Q71-G110 PolarHBondContact OE1-O 2.95Å; R73-G110 WeakPolarHBondContact CD-O 3.25Å; R73-G110 WeakPolarHBondContact CG-O 3.4Å; R73-G110 PolarHBondContact NE-O 3.34Å
111	N	95.3	Very high	95.9	Very high	74 Å²	74	46.9 Å²	46.9	40%	0.396	25%	0.252	S	S	.	.			trans	-78.6	178.5	171.4	69.4	2.7	0	0	0	111.8	R73 D113 N114 A117	R73-N111 VanDerWaalsContact NE-C 3.31Å; R73-N111 PolarHBondContact NE-O 3.06Å; N111-D113 PolarHBondContact O-N 3.14Å; N111-D113 VanDerWaalsContact O-N 3.15Å; N111-D113 PolarHBondContact OD1-N 3.02Å; N111-N114 WeakPolarHBondContact O-CB 3.44Å; N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 PolarHBondContact OD1-N 3.15Å; N111-A117 WeakPolarHBondContact O-CB 3.48Å
112	Q	95.1	Very high	96.1	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.201	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.1	-175.8	70.9	-78.1	8.8	0	0	114.4	R73 Q121 V123 K141	R73-Q112 VanDerWaalsContact NH2-N 3.15Å; Q112-Q121 PolarHBondContact O-NE2 3.12Å; Q112-V123 HydrophobicContact CG-CG2 4.18Å; Q112-K141 PolarHBondContact O-NZ 2.89Å
113	D	93.7	Very high	96.2	Very high	108 Å²	108	43 Å²	43	58%	0.578	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.2	178.2	-58.1	-45.5	0	0	0	112.5	N111	N111-D113 PolarHBondContact O-N 3.14Å; N111-D113 VanDerWaalsContact O-N 3.15Å; N111-D113 PolarHBondContact OD1-N 3.02Å
114	N	95.3	Very high	96.2	Very high	45 Å²	45	41 Å²	41	24%	0.241	23%	0.228	C	C	.	.	S	Bend	trans	-62.4	134	174.9	-172.1	-54.7	0	0	0	109.6	V109 N111 Q116 A117	V109-N114 PolarHBondContact O-ND2 3.31Å; N111-N114 WeakPolarHBondContact O-CB 3.44Å; N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 PolarHBondContact OD1-N 3.15Å; N114-Q116 PolarHBondContact O-N 2.73Å; N114-Q116 VanDerWaalsContact O-N 3.09Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.48Å; N114-Q116 PolarHBondContact OD1-N 2.93Å; N114-A117 HydrophobicContact CB-CB 4.44Å; N114-A117 WeakPolarHBondContact O-CB 3.49Å; N114-A117 PolarHBondContact O-N 3.14Å
115	P	92.4	Very high	96	Very high	111 Å²	111	43.1 Å²	43.1	72%	0.721	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-55.3	-28.9	177.5	-27.6	35.3	0	0	0	114.3	A117	P115-A117 VanDerWaalsContact C-N 3.31Å
116	Q	94.1	Very high	96	Very high	95 Å²	95	40.6 Å²	40.6	44%	0.444	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-80.7	-6.8	176.7	-56.6	-169.8	-56.8	0	0	113.6	S106 L107 N114 F118	S106-Q116 CarbonylContact C-O 3.34Å; S106-Q116 VanDerWaalsContact CA-O 3.31Å; S106-Q116 WeakPolarHBondContact CA-O 3.32Å; L107-Q116 HydrophobicContact CB-CB 4.32Å; L107-Q116 PolarHBondContact N-O 2.87Å; L107-Q116 VanDerWaalsContact O-CB 3.29Å; L107-Q116 WeakPolarHBondContact O-CB 3.29Å; N114-Q116 PolarHBondContact O-N 2.73Å; N114-Q116 VanDerWaalsContact O-N 3.09Å; N114-Q116 WeakPolarHBondContact OD1-CB 3.48Å; N114-Q116 PolarHBondContact OD1-N 2.93Å; Q116-F118 VanDerWaalsContact C-N 3.29Å; Q116-F118 VanDerWaalsContact O-CD2 3.26Å; Q116-F118 WeakPolarHBondContact O-CD2 3.43Å
117	A	94.6	Very high	96	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-74.3	-21.3	172.8	0	0	0	0	0	112.4	N111 N114 P115 L119 N120	N111-A117 WeakPolarHBondContact O-CB 3.48Å; N114-A117 HydrophobicContact CB-CB 4.44Å; N114-A117 WeakPolarHBondContact O-CB 3.49Å; N114-A117 PolarHBondContact O-N 3.14Å; P115-A117 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.49Å; A117-L119 VanDerWaalsContact O-N 3.08Å; A117-N120 WeakPolarHBondContact O-CB 3.48Å; A117-N120 PolarHBondContact O-N 3.3Å
118	F	96.3	Very high	96	Very high	87 Å²	87	39 Å²	39	38%	0.382	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	-112.3	-179.6	-64.4	-78.8	0	0	0	112.7	G104 Y105 L107 Q116 Q121	G104-F118 WeakPolarHBondContact O-CB 3.47Å; Y105-F118 WeakPolarHBondContact O-CD2 3.22Å; L107-F118 HydrophobicContact CD1-CE2 4.27Å; Q116-F118 VanDerWaalsContact C-N 3.29Å; Q116-F118 VanDerWaalsContact O-CD2 3.26Å; Q116-F118 WeakPolarHBondContact O-CD2 3.43Å; F118-Q121 PolarHBondContact O-NE2 3.48Å
119	L	98.3	Very high	96.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	13.4	-178.5	-59.5	-175.3	0	0	0	113.7	V44 A46 A47 G104 A117 Q121 L138 K141 M142 I148	V44-L119 HydrophobicContact CG1-CD1 3.45Å; V44-L119 VanDerWaalsContact CG1-CD1 3.45Å; A46-L119 HydrophobicContact CB-CB 3.95Å; A46-L119 HydrophobicContact CB-CD1 4.13Å; A47-L119 PolarHBondContact N-O 3.37Å; G104-L119 WeakPolarHBondContact O-CB 3.06Å; G104-L119 PolarHBondContact O-N 2.83Å; A117-L119 PolarHBondContact O-N 3.49Å; A117-L119 VanDerWaalsContact O-N 3.08Å; L119-Q121 PolarHBondContact O-N 3.08Å; L119-L138 HydrophobicContact CB-CD1 3.83Å; L119-L138 HydrophobicContact CD2-CD1 4.16Å; L119-L138 WeakPolarHBondContact O-CD1 3.45Å; L119-K141 HydrophobicContact CD2-CB 3.92Å; L119-M142 HydrophobicContact CD1-CG 3.67Å; L119-M142 HydrophobicContact CD1-SD 4.26Å; L119-M142 HydrophobicContact CD2-CG 3.76Å; L119-M142 HydrophobicContact CG-CG 4.38Å; L119-I148 HydrophobicContact CD1-CD1 3.76Å
120	N	98.4	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-84.1	98.5	165	-175.6	-12	0	0	0	109.1	T53 R73 I79 S106 A117 A122	T53-N120 PolarHBondContact O-ND2 3.23Å; T53-N120 VanDerWaalsContact O-ND2 3.11Å; R73-N120 VanDerWaalsContact NH1-CG 3.25Å; R73-N120 PolarHBondContact NH1-O 3.43Å; R73-N120 PolarHBondContact NH1-OD1 2.76Å; I79-N120 HydrophobicContact CG1-CB 3.95Å; I79-N120 HydrophobicContact CG2-CB 3.76Å; I79-N120 VanDerWaalsContact CG2-CG 3.46Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.08Å; S106-N120 PolarHBondContact OG-ND2 3.32Å; A117-N120 WeakPolarHBondContact O-CB 3.48Å; A117-N120 PolarHBondContact O-N 3.3Å; N120-A122 WeakPolarHBondContact OD1-CB 3.48Å; N120-A122 PolarHBondContact OD1-N 3.41Å
121	Q	98.4	Very high	96.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	23%	0.228	C	C	.	.			trans	-104.1	14.2	-178.8	-63.1	-55	-79.6	0	0	113.4	A47 V48 Q112 F118 L119 Q134 L138 K141	A47-Q121 PolarHBondContact O-N 2.79Å; V48-Q121 HydrophobicContact CG1-CB 4.18Å; Q112-Q121 PolarHBondContact O-NE2 3.12Å; F118-Q121 PolarHBondContact O-NE2 3.48Å; L119-Q121 PolarHBondContact O-N 3.08Å; Q121-Q134 PolarHBondContact O-OE1 3.29Å; Q121-Q134 VanDerWaalsContact O-OE1 3.14Å; Q121-L138 HydrophobicContact CB-CD1 4.41Å; Q121-L138 HydrophobicContact CG-CB 4.18Å; Q121-L138 HydrophobicContact CG-CD1 3.77Å; Q121-K141 HydrophobicContact CG-CD 4.39Å
122	A	98.3	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.			trans	-63.8	143.4	173.8	0	0	0	0	0	112.2	G49 D50 T53 A54 R73 N120	G49-A122 VanDerWaalsContact O-CA 3.27Å; G49-A122 WeakPolarHBondContact O-CA 3.23Å; G49-A122 WeakPolarHBondContact O-CB 3.32Å; D50-A122 WeakPolarHBondContact O-CB 3.47Å; T53-A122 HydrophobicContact CG2-CB 3.51Å; A54-A122 HydrophobicContact CB-CB 4.17Å; R73-A122 PolarHBondContact NH1-O 3.19Å; R73-A122 VanDerWaalsContact NH1-O 3.12Å; R73-A122 PolarHBondContact NH2-O 2.85Å; N120-A122 WeakPolarHBondContact OD1-CB 3.48Å; N120-A122 PolarHBondContact OD1-N 3.41Å
123	V	97.9	Very high	96.7	Very high	45 Å²	45	38.1 Å²	38.1	27%	0.273	23%	0.228	S	C	.	.			trans	-125.6	125.4	-176.1	-179.6	0	0	0	0	109.4	G49 D50 Q112 G125 A126 Q134	G49-V123 PolarHBondContact O-N 3.41Å; D50-V123 CarbonylContact C-O 3.6Å; D50-V123 WeakPolarHBondContact CA-O 3.46Å; Q112-V123 HydrophobicContact CG-CG2 4.18Å; V123-G125 PolarHBondContact O-N 2.66Å; V123-A126 HydrophobicContact CB-CB 4.22Å; V123-A126 WeakPolarHBondContact O-CB 3.42Å; V123-A126 PolarHBondContact O-N 2.65Å; V123-A126 VanDerWaalsContact O-N 3.11Å; V123-Q134 HydrophobicContact CG2-CG 4.38Å
124	P	96.3	Very high	97	Very high	39 Å²	39	33.5 Å²	33.5	25%	0.253	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	136.1	177.4	-24.7	36.8	0	0	0	112.1	A54 N56 Q71 A126	A54-P124 HydrophobicContact CB-CG 4.08Å; N56-P124 WeakPolarHBondContact OD1-CG 3.44Å; Q71-P124 HydrophobicContact CG-CG 4.08Å; P124-A126 VanDerWaalsContact C-N 3.25Å; P124-A126 PolarHBondContact O-N 2.92Å
125	G	93.8	Very high	97.1	Very high	52 Å²	52	31.4 Å²	31.4	54%	0.536	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-0.4	-175.6	0	0	0	0	0	114.9	V123 N164	V123-G125 PolarHBondContact O-N 2.66Å; G125-N164 WeakPolarHBondContact CA-ND2 3.5Å
126	A	97.7	Very high	97.4	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	18%	0.179	C	C	.	.			trans	-62.1	144.6	176.6	0	0	0	0	0	112.1	V123 P124 D130 Q134 I161 N164	V123-A126 HydrophobicContact CB-CB 4.22Å; V123-A126 WeakPolarHBondContact O-CB 3.42Å; V123-A126 PolarHBondContact O-N 2.65Å; V123-A126 VanDerWaalsContact O-N 3.11Å; P124-A126 VanDerWaalsContact C-N 3.25Å; P124-A126 PolarHBondContact O-N 2.92Å; A126-D130 WeakPolarHBondContact CA-OD2 3.5Å; A126-D130 HydrophobicContact CB-CB 4.01Å; A126-Q134 VanDerWaalsContact CB-NE2 3.32Å; A126-I161 HydrophobicContact CB-CD1 4.38Å; A126-I161 VanDerWaalsContact O-CD1 3.31Å; A126-I161 WeakPolarHBondContact O-CD1 3.04Å; A126-N164 WeakPolarHBondContact O-CB 3.46Å; A126-N164 PolarHBondContact O-ND2 3.24Å
127	T	98.1	Very high	97.6	Very high	15 Å²	15	30 Å²	30	9%	0.092	18%	0.175	C	C	.	.			trans	-115.9	175.4	173.6	53.8	0	0	0	0	109.8	P129 D130 N164 D165 Y176	T127-P129 VanDerWaalsContact C-N 3.34Å; T127-P129 WeakPolarHBondContact OG1-CD 3.37Å; T127-D130 PolarHBondContact N-OD2 3.09Å; T127-D130 WeakPolarHBondContact O-CB 3.5Å; T127-D130 PolarHBondContact O-N 3.05Å; T127-D130 PolarHBondContact OG1-OD2 3.48Å; T127-N164 HydrophobicContact CG2-CB 3.71Å; T127-D165 WeakPolarHBondContact CA-OD2 3.48Å; T127-Y176 HydrophobicContact CG2-CE1 3.8Å
128	S	97.4	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54.5	-36.2	179.1	60.3	0	0	0	0	115.4	D130 I131 D165 Y181 F184	S128-D130 PolarHBondContact O-N 2.97Å; S128-D130 VanDerWaalsContact O-N 3.12Å; S128-I131 PolarHBondContact O-N 2.64Å; S128-D165 WeakPolarHBondContact CB-OD1 3.34Å; S128-D165 PolarHBondContact N-OD1 2.9Å; S128-D165 PolarHBondContact N-OD2 3.23Å; S128-D165 PolarHBondContact OG-OD1 3.48Å; S128-Y181 VanDerWaalsContact CB-CD2 3.5Å; S128-F184 VanDerWaalsContact O-CB 3.3Å; S128-F184 WeakPolarHBondContact O-CB 3.43Å
129	P	97.6	Very high	97.9	Very high	37 Å²	37	25.9 Å²	25.9	24%	0.24	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.3	-24.7	171.4	-23.3	28.2	0	0	0	115.6	T127 P132 L175 F184	T127-P129 VanDerWaalsContact C-N 3.34Å; T127-P129 WeakPolarHBondContact OG1-CD 3.37Å; P129-P132 WeakPolarHBondContact O-CD 3.38Å; P129-L175 HydrophobicContact CG-CD1 3.98Å; P129-L175 HydrophobicContact CG-CG 4.3Å; P129-F184 HydrophobicContact CB-CD2 4.27Å; P129-F184 HydrophobicContact CB-CE1 4.26Å; P129-F184 HydrophobicContact CB-CE2 3.99Å; P129-F184 HydrophobicContact CB-CZ 3.98Å; P129-F184 HydrophobicContact CG-CD2 3.92Å; P129-F184 HydrophobicContact CG-CE2 3.52Å; P129-F184 HydrophobicContact CG-CZ 3.93Å
130	D	98.1	Very high	97.9	Very high	70 Å²	70	29.2 Å²	29.2	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-83.6	-20.4	-176.9	-60.7	-61.3	0	0	0	112.7	A126 T127 S128 S133 Q134	A126-D130 WeakPolarHBondContact CA-OD2 3.5Å; A126-D130 HydrophobicContact CB-CB 4.01Å; T127-D130 PolarHBondContact N-OD2 3.09Å; T127-D130 WeakPolarHBondContact O-CB 3.5Å; T127-D130 PolarHBondContact O-N 3.05Å; T127-D130 PolarHBondContact OG1-OD2 3.48Å; S128-D130 PolarHBondContact O-N 2.97Å; S128-D130 VanDerWaalsContact O-N 3.12Å; D130-S133 WeakPolarHBondContact O-CB 3.36Å; D130-S133 PolarHBondContact O-N 3.43Å; D130-S133 VanDerWaalsContact O-N 3.17Å; D130-Q134 PolarHBondContact O-N 3.14Å; D130-Q134 VanDerWaalsContact O-N 3.08Å
131	I	98.4	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-174.3	-59.7	-60.3	0	0	0	113.2	V48 S128 S133 Q134 V135 I159 I161 L185 S188	V48-I131 HydrophobicContact CG2-CG2 4.34Å; S128-I131 PolarHBondContact O-N 2.64Å; I131-S133 PolarHBondContact O-N 3.17Å; I131-Q134 PolarHBondContact O-N 2.78Å; I131-V135 HydrophobicContact CG2-CG2 4.03Å; I131-V135 WeakPolarHBondContact O-CB 3.42Å; I131-V135 WeakPolarHBondContact O-CG2 3.36Å; I131-V135 PolarHBondContact O-N 3.43Å; I131-I159 HydrophobicContact CG2-CG2 4.34Å; I131-I161 HydrophobicContact CD1-CB 3.93Å; I131-I161 HydrophobicContact CD1-CD1 3.98Å; I131-I161 HydrophobicContact CD1-CG1 3.79Å; I131-I161 HydrophobicContact CD1-CG2 4.38Å; I131-I161 HydrophobicContact CG1-CB 4.02Å; I131-I161 HydrophobicContact CG1-CD1 4.43Å; I131-I161 HydrophobicContact CG1-CG1 3.78Å; I131-I161 HydrophobicContact CG1-CG2 3.99Å; I131-L185 HydrophobicContact CG2-CD2 4.12Å; I131-S188 WeakPolarHBondContact CG2-OG 3.33Å
132	P	98.5	Very high	97.8	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-54	-39.6	174.6	-27.3	33.5	0	0	0	113.1	P129 R136 F184 S188	P129-P132 WeakPolarHBondContact O-CD 3.38Å; P132-R136 VanDerWaalsContact O-CG 3.24Å; P132-R136 WeakPolarHBondContact O-CG 3.43Å; P132-R136 PolarHBondContact O-N 2.85Å; P132-R136 VanDerWaalsContact O-N 3.09Å; P132-F184 HydrophobicContact CG-CB 4.4Å; P132-F184 HydrophobicContact CG-CD1 4.42Å; P132-S188 WeakPolarHBondContact CA-OG 3.32Å; P132-S188 WeakPolarHBondContact CD-OG 3.38Å; P132-S188 WeakPolarHBondContact CG-OG 3.37Å; P132-S188 VanDerWaalsContact N-OG 3.16Å
133	S	97.9	Very high	97.8	Very high	76 Å²	76	36.4 Å²	36.4	53%	0.531	21%	0.208	S	C	.	.	H	α-helix	trans	-71.1	-44.5	178.2	-174.5	0	0	0	0	112.3	D130 I131 V135 R136 T137	D130-S133 WeakPolarHBondContact O-CB 3.36Å; D130-S133 PolarHBondContact O-N 3.43Å; D130-S133 VanDerWaalsContact O-N 3.17Å; I131-S133 PolarHBondContact O-N 3.17Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.23Å; S133-R136 PolarHBondContact O-N 3.23Å; S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 3.44Å
134	Q	98.4	Very high	97.7	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-42.9	175.7	-66.7	-173.4	22.5	0	0	111.3	V48 G49 Q121 V123 A126 D130 I131 T137 L138	V48-Q134 HydrophobicContact CB-CB 4.03Å; V48-Q134 HydrophobicContact CG1-CB 3.71Å; G49-Q134 PolarHBondContact O-NE2 3.3Å; G49-Q134 PolarHBondContact O-OE1 2.9Å; G49-Q134 VanDerWaalsContact O-OE1 3.14Å; Q121-Q134 PolarHBondContact O-OE1 3.29Å; Q121-Q134 VanDerWaalsContact O-OE1 3.14Å; V123-Q134 HydrophobicContact CG2-CG 4.38Å; A126-Q134 VanDerWaalsContact CB-NE2 3.32Å; D130-Q134 PolarHBondContact O-N 3.14Å; D130-Q134 VanDerWaalsContact O-N 3.08Å; I131-Q134 PolarHBondContact O-N 2.78Å; Q134-T137 PolarHBondContact O-N 3.33Å; Q134-L138 WeakPolarHBondContact O-CB 3.26Å; Q134-L138 PolarHBondContact O-N 3.26Å
135	V	98.8	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-44.5	177.9	163.4	0	0	0	0	111.9	V48 I131 S133 T137 L138 V139 Y191 L192	V48-V135 HydrophobicContact CG1-CG2 4.27Å; V48-V135 HydrophobicContact CG2-CG2 4Å; I131-V135 HydrophobicContact CG2-CG2 4.03Å; I131-V135 WeakPolarHBondContact O-CB 3.42Å; I131-V135 WeakPolarHBondContact O-CG2 3.36Å; I131-V135 PolarHBondContact O-N 3.43Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.23Å; V135-T137 VanDerWaalsContact C-N 3.3Å; V135-T137 PolarHBondContact O-N 3.13Å; V135-L138 WeakPolarHBondContact O-CB 3.46Å; V135-L138 PolarHBondContact O-N 3.3Å; V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 3Å; V135-Y191 HydrophobicContact CG1-CD1 3.77Å; V135-Y191 HydrophobicContact CG1-CE1 4.41Å; V135-L192 HydrophobicContact CG1-CD1 4.33Å; V135-L192 HydrophobicContact CG1-CD2 3.74Å; V135-L192 HydrophobicContact CG1-CG 3.69Å; V135-L192 HydrophobicContact CG2-CD1 4.45Å
136	R	98.4	Very high	97.7	Very high	119 Å²	119	44.4 Å²	44.4	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-41	176.5	-71.8	168.4	-167.8	-122.7	9.2	111.9	P132 S133 T140 E187 Y191	P132-R136 VanDerWaalsContact O-CG 3.24Å; P132-R136 WeakPolarHBondContact O-CG 3.43Å; P132-R136 PolarHBondContact O-N 2.85Å; P132-R136 VanDerWaalsContact O-N 3.09Å; S133-R136 PolarHBondContact O-N 3.23Å; R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.35Å; R136-T140 PolarHBondContact O-OG1 3.49Å; R136-E187 IonicContact CZ-OE1 2.75Å; R136-E187 IonicContact NH2-OE1 3.04Å; R136-E187 PolarHBondContact NH2-OE1 3.16Å; R136-Y191 HydrophobicContact CG-CD1 4.37Å; R136-Y191 HydrophobicContact CG-CE1 3.93Å; R136-Y191 HydrophobicContact CG-CE2 4.27Å
137	T	98.1	Very high	97.5	Very high	58 Å²	58	48.8 Å²	48.8	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175.6	-57.2	0	0	0	0	111	S133 Q134 V135 V139 T140 K141	S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 3.44Å; Q134-T137 PolarHBondContact O-N 3.33Å; V135-T137 VanDerWaalsContact C-N 3.3Å; V135-T137 PolarHBondContact O-N 3.13Å; T137-V139 PolarHBondContact O-N 3.41Å; T137-T140 WeakPolarHBondContact O-CB 3.45Å; T137-T140 PolarHBondContact O-N 3.5Å; T137-K141 PolarHBondContact O-N 2.95Å
138	L	98.3	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-49.8	177.4	-175.9	68.5	0	0	0	111.8	A46 V48 L119 Q121 Q134 V135 T140 K141 M142 I157	A46-L138 HydrophobicContact CB-CD1 4Å; A46-L138 HydrophobicContact CB-CD2 3.93Å; A46-L138 HydrophobicContact CB-CG 4.37Å; V48-L138 HydrophobicContact CG1-CB 4.31Å; V48-L138 HydrophobicContact CG1-CD2 3.99Å; L119-L138 HydrophobicContact CB-CD1 3.83Å; L119-L138 HydrophobicContact CD2-CD1 4.16Å; L119-L138 WeakPolarHBondContact O-CD1 3.45Å; Q121-L138 HydrophobicContact CB-CD1 4.41Å; Q121-L138 HydrophobicContact CG-CB 4.18Å; Q121-L138 HydrophobicContact CG-CD1 3.77Å; Q134-L138 WeakPolarHBondContact O-CB 3.26Å; Q134-L138 PolarHBondContact O-N 3.26Å; V135-L138 WeakPolarHBondContact O-CB 3.46Å; V135-L138 PolarHBondContact O-N 3.3Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 2.93Å; L138-K141 PolarHBondContact O-N 3.48Å; L138-M142 HydrophobicContact CD2-CE 4.41Å; L138-M142 HydrophobicContact CG-CE 4.09Å; L138-M142 WeakPolarHBondContact O-CG 3.26Å; L138-M142 PolarHBondContact O-N 2.89Å; L138-I157 HydrophobicContact CD2-CG2 4.02Å
139	V	98.6	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-41.3	178.3	173.4	0	0	0	0	111.2	V135 T137 K141 M142 K143 F150 Y191 L192 E195 V196	V135-V139 WeakPolarHBondContact O-CG2 3.39Å; V135-V139 PolarHBondContact O-N 3Å; T137-V139 PolarHBondContact O-N 3.41Å; V139-K141 PolarHBondContact O-N 3.04Å; V139-M142 HydrophobicContact CB-CE 4.46Å; V139-M142 HydrophobicContact CG2-CE 4Å; V139-M142 PolarHBondContact O-N 2.88Å; V139-K143 HydrophobicContact CG1-CD 4.2Å; V139-K143 HydrophobicContact CG1-CG 4.5Å; V139-K143 WeakPolarHBondContact O-CG 3.47Å; V139-K143 PolarHBondContact O-N 2.89Å; V139-F150 HydrophobicContact CG1-CZ 4.2Å; V139-Y191 HydrophobicContact CB-CE1 4.12Å; V139-Y191 HydrophobicContact CG1-CE1 4.35Å; V139-Y191 HydrophobicContact CG2-CD1 4.41Å; V139-Y191 HydrophobicContact CG2-CE1 3.91Å; V139-L192 HydrophobicContact CG2-CD2 3.92Å; V139-E195 HydrophobicContact CG1-CB 4.22Å; V139-V196 HydrophobicContact CG1-CG2 4.34Å; V139-V196 HydrophobicContact CG2-CG2 3.52Å
140	T	98.2	Very high	97.4	Very high	73 Å²	73	51.8 Å²	51.8	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-44.7	176.5	-58.4	0	0	0	0	111.5	R136 T137 L138 K143 N144	R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.35Å; R136-T140 PolarHBondContact O-OG1 3.49Å; T137-T140 WeakPolarHBondContact O-CB 3.45Å; T137-T140 PolarHBondContact O-N 3.5Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 2.93Å; T140-K143 PolarHBondContact O-N 2.69Å; T140-N144 WeakPolarHBondContact O-CB 3.3Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.35Å; T140-N144 VanDerWaalsContact O-N 3.11Å; T140-N144 PolarHBondContact O-ND2 3.2Å
141	K	97.4	Very high	97.3	Very high	61 Å²	61	54.5 Å²	54.5	27%	0.265	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-42.6	176.1	-75.3	-175.3	172.2	179	0	111.8	Q112 L119 Q121 T137 L138 V139 K143 N144 D145	Q112-K141 PolarHBondContact O-NZ 2.89Å; L119-K141 HydrophobicContact CD2-CB 3.92Å; Q121-K141 HydrophobicContact CG-CD 4.39Å; T137-K141 PolarHBondContact O-N 2.95Å; L138-K141 PolarHBondContact O-N 3.48Å; V139-K141 PolarHBondContact O-N 3.04Å; K141-K143 PolarHBondContact O-N 3.4Å; K141-N144 PolarHBondContact O-N 3.31Å; K141-D145 PolarHBondContact O-N 2.99Å
142	M	97.8	Very high	97.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-40.5	176.2	-71.5	-170.5	-67.3	0	0	112.8	A46 L119 L138 V139 N144 F150 K155 I157 V196	A46-M142 HydrophobicContact CB-SD 4.47Å; L119-M142 HydrophobicContact CD1-CG 3.67Å; L119-M142 HydrophobicContact CD1-SD 4.26Å; L119-M142 HydrophobicContact CD2-CG 3.76Å; L119-M142 HydrophobicContact CG-CG 4.38Å; L138-M142 HydrophobicContact CD2-CE 4.41Å; L138-M142 HydrophobicContact CG-CE 4.09Å; L138-M142 WeakPolarHBondContact O-CG 3.26Å; L138-M142 PolarHBondContact O-N 2.89Å; V139-M142 HydrophobicContact CB-CE 4.46Å; V139-M142 HydrophobicContact CG2-CE 4Å; V139-M142 PolarHBondContact O-N 2.88Å; M142-N144 VanDerWaalsContact C-N 3.31Å; M142-N144 PolarHBondContact O-N 2.8Å; M142-F150 HydrophobicContact CB-CD2 3.78Å; M142-F150 HydrophobicContact CB-CE2 3.72Å; M142-F150 HydrophobicContact CE-CE2 4.39Å; M142-K155 HydrophobicContact SD-CD 4.36Å; M142-I157 HydrophobicContact CE-CD1 4.3Å; M142-V196 HydrophobicContact CE-CG1 4.27Å; M142-V196 HydrophobicContact CE-CG2 4.12Å
143	K	97.9	Very high	97.1	Very high	95 Å²	95	56.2 Å²	56.2	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-67.8	-29.8	177.4	-73.5	-179.6	179.3	179.2	0	112.8	V139 T140 K141 F150 E195	V139-K143 HydrophobicContact CG1-CD 4.2Å; V139-K143 HydrophobicContact CG1-CG 4.5Å; V139-K143 WeakPolarHBondContact O-CG 3.47Å; V139-K143 PolarHBondContact O-N 2.89Å; T140-K143 PolarHBondContact O-N 2.69Å; K141-K143 PolarHBondContact O-N 3.4Å; K143-F150 HydrophobicContact CB-CD2 4.5Å; K143-F150 HydrophobicContact CD-CE1 4.25Å; K143-F150 HydrophobicContact CD-CZ 4.23Å; K143-F150 VanDerWaalsContact CE-CE1 3.46Å; K143-F150 HydrophobicContact CG-CD1 3.91Å; K143-F150 HydrophobicContact CG-CD2 3.77Å; K143-F150 HydrophobicContact CG-CE1 3.8Å; K143-F150 HydrophobicContact CG-CE2 3.65Å; K143-F150 HydrophobicContact CG-CG 3.9Å; K143-F150 HydrophobicContact CG-CZ 3.67Å; K143-E195 IonicContact NZ-OE2 3.61Å; K143-E195 PolarHBondContact NZ-OE2 2.94Å
144	N	96.6	Very high	97.1	Very high	124 Å²	124	52.7 Å²	52.7	66%	0.663	27%	0.272	S	S	*	.	H	α-helix	trans	-93.8	-12.1	-175.5	-69.6	-21.5	0	0	0	114.3	T140 K141 M142 V146	T140-N144 WeakPolarHBondContact O-CB 3.3Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.35Å; T140-N144 VanDerWaalsContact O-N 3.11Å; T140-N144 PolarHBondContact O-ND2 3.2Å; K141-N144 PolarHBondContact O-N 3.31Å; M142-N144 VanDerWaalsContact C-N 3.31Å; M142-N144 PolarHBondContact O-N 2.8Å; N144-V146 PolarHBondContact O-N 3.45Å
145	D	95.7	Very high	97.1	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.214	27%	0.27	C	S	.	.			trans	-80.1	110.2	178.2	-168.8	-22	0	0	0	110.7	K141 N147 I148	K141-D145 PolarHBondContact O-N 2.99Å; D145-N147 PolarHBondContact O-N 2.93Å; D145-N147 VanDerWaalsContact OD1-CB 3.27Å; D145-N147 WeakPolarHBondContact OD1-CB 3.44Å; D145-N147 PolarHBondContact OD1-N 3.35Å; D145-N147 PolarHBondContact OD1-ND2 2.58Å; D145-I148 HydrophobicContact CB-CB 4.36Å; D145-I148 HydrophobicContact CB-CD1 3.94Å; D145-I148 HydrophobicContact CB-CG1 4.12Å; D145-I148 PolarHBondContact O-N 3.15Å
146	V	94.1	Very high	97.1	Very high	139 Å²	139	52.2 Å²	52.2	84%	0.842	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.2	179	-61.4	0	0	0	0	113.8	N144	N144-V146 PolarHBondContact O-N 3.45Å
147	N	93.9	Very high	97.1	Very high	95 Å²	95	46.5 Å²	46.5	51%	0.508	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.7	177.7	-56.9	-69.3	0	0	0	113	K103 D145	K103-N147 HydrophobicContact CD-CB 4.04Å; K103-N147 WeakPolarHBondContact CD-O 3.5Å; K103-N147 PolarHBondContact NZ-O 2.74Å; D145-N147 PolarHBondContact O-N 2.93Å; D145-N147 VanDerWaalsContact OD1-CB 3.27Å; D145-N147 WeakPolarHBondContact OD1-CB 3.44Å; D145-N147 PolarHBondContact OD1-N 3.35Å; D145-N147 PolarHBondContact OD1-ND2 2.58Å
148	I	96.7	Very high	97.2	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.062	23%	0.232	C	C	.	.	S	Bend	trans	-107.1	120.2	179.3	-63.8	175.8	0	0	0	108	V44 L119 D145 F150	V44-I148 HydrophobicContact CG1-CD1 3.96Å; V44-I148 HydrophobicContact CG2-CB 4.49Å; V44-I148 HydrophobicContact CG2-CD1 4.25Å; V44-I148 HydrophobicContact CG2-CG1 4.02Å; V44-I148 HydrophobicContact CG2-CG2 3.89Å; L119-I148 HydrophobicContact CD1-CD1 3.76Å; D145-I148 HydrophobicContact CB-CB 4.36Å; D145-I148 HydrophobicContact CB-CD1 3.94Å; D145-I148 HydrophobicContact CB-CG1 4.12Å; D145-I148 PolarHBondContact O-N 3.15Å; I148-F150 VanDerWaalsContact C-N 3.34Å; I148-F150 PolarHBondContact O-N 3.46Å
149	N	96.8	Very high	97.2	Very high	83 Å²	83	43.9 Å²	43.9	44%	0.444	23%	0.232	S	C	.	.			trans	-79	93.9	164.9	-171.4	-33.7	0	0	0	108.2	E151 S152 D153	N149-E151 PolarHBondContact O-N 3.31Å; N149-E151 VanDerWaalsContact O-N 3.11Å; N149-E151 PolarHBondContact OD1-N 3.46Å; N149-S152 WeakPolarHBondContact CB-OG 3.46Å; N149-S152 PolarHBondContact ND2-OG 3.43Å; N149-S152 PolarHBondContact O-N 3.28Å; N149-S152 PolarHBondContact OD1-N 2.73Å; N149-S152 VanDerWaalsContact OD1-N 3.14Å; N149-S152 PolarHBondContact OD1-OG 3.49Å; N149-D153 PolarHBondContact N-OD2 3.21Å; N149-D153 WeakPolarHBondContact O-CB 3.39Å; N149-D153 PolarHBondContact O-N 2.75Å
150	F	97.3	Very high	97.2	Very high	21 Å²	21	44 Å²	44	9%	0.092	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.3	-174.3	-170.8	-98.5	0	0	0	113.1	V139 M142 K143 I148 K155 E195 V196 P197	V139-F150 HydrophobicContact CG1-CZ 4.2Å; M142-F150 HydrophobicContact CB-CD2 3.78Å; M142-F150 HydrophobicContact CB-CE2 3.72Å; M142-F150 HydrophobicContact CE-CE2 4.39Å; K143-F150 HydrophobicContact CB-CD2 4.5Å; K143-F150 HydrophobicContact CD-CE1 4.25Å; K143-F150 HydrophobicContact CD-CZ 4.23Å; K143-F150 VanDerWaalsContact CE-CE1 3.46Å; K143-F150 HydrophobicContact CG-CD1 3.91Å; K143-F150 HydrophobicContact CG-CD2 3.77Å; K143-F150 HydrophobicContact CG-CE1 3.8Å; K143-F150 HydrophobicContact CG-CE2 3.65Å; K143-F150 HydrophobicContact CG-CG 3.9Å; K143-F150 HydrophobicContact CG-CZ 3.67Å; I148-F150 VanDerWaalsContact C-N 3.34Å; I148-F150 PolarHBondContact O-N 3.46Å; F150-K155 WeakPolarHBondContact O-CE 3.11Å; F150-K155 PolarHBondContact O-NZ 3.27Å; F150-E195 VanDerWaalsContact CE1-O 3.28Å; F150-E195 WeakPolarHBondContact CE1-O 3.5Å; F150-E195 VanDerWaalsContact CZ-O 3.25Å; F150-E195 WeakPolarHBondContact CZ-O 3.49Å; F150-V196 HydrophobicContact CE2-CG1 4.47Å; F150-V196 HydrophobicContact CZ-CB 4.48Å; F150-V196 HydrophobicContact CZ-CG1 4.37Å; F150-V196 HydrophobicContact CZ-CG2 4.26Å; F150-P197 HydrophobicContact CD1-CG 4.49Å; F150-P197 HydrophobicContact CE1-CG 4.37Å; F150-P197 WeakPolarHBondContact O-CG 3.44Å
151	E	96.3	Very high	97.2	Very high	126 Å²	126	40.5 Å²	40.5	59%	0.589	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-37.8	-179.5	-63.7	-58.4	141.4	0	0	113.1	N149 R198	N149-E151 PolarHBondContact O-N 3.31Å; N149-E151 VanDerWaalsContact O-N 3.11Å; N149-E151 PolarHBondContact OD1-N 3.46Å; E151-R198 WeakPolarHBondContact O-CD 3.23Å; E151-R198 PolarHBondContact O-NE 2.82Å
152	S	94.7	Very high	97.1	Very high	34 Å²	34	37.6 Å²	37.6	24%	0.238	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-24.9	-168.8	74.7	0	0	0	0	115.8	N149 R198	N149-S152 WeakPolarHBondContact CB-OG 3.46Å; N149-S152 PolarHBondContact ND2-OG 3.43Å; N149-S152 PolarHBondContact O-N 3.28Å; N149-S152 PolarHBondContact OD1-N 2.73Å; N149-S152 VanDerWaalsContact OD1-N 3.14Å; N149-S152 PolarHBondContact OD1-OG 3.49Å; S152-R198 WeakPolarHBondContact O-CD 3.4Å; S152-R198 PolarHBondContact O-NH1 2.93Å
153	D	97.4	Very high	97	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.07	20%	0.204	C	C	.	.	S	Bend	trans	-79.3	135	-174.6	-70.5	-18.3	0	0	0	111.2	K43 V44 N149 K155	K43-D153 HydrophobicContact CB-CB 4.11Å; K43-D153 HydrophobicContact CD-CB 3.93Å; K43-D153 VanDerWaalsContact CD-CG 3.49Å; K43-D153 WeakPolarHBondContact CD-OD1 3.33Å; K43-D153 IonicContact NZ-OD1 2.76Å; K43-D153 PolarHBondContact NZ-OD1 3.17Å; V44-D153 HydrophobicContact CG2-CB 4.24Å; N149-D153 PolarHBondContact N-OD2 3.21Å; N149-D153 WeakPolarHBondContact O-CB 3.39Å; N149-D153 PolarHBondContact O-N 2.75Å; D153-K155 PolarHBondContact O-NZ 2.93Å
154	W	98.1	Very high	96.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.2	175.3	-76.8	107.9	0	0	0	111.5	P31 V34 L37 I42 K43 V44 R198 D273	P31-W154 HydrophobicContact CB-CZ2 4.47Å; P31-W154 WeakPolarHBondContact O-CZ2 3.45Å; P31-W154 PolarHBondContact O-NE1 2.92Å; V34-W154 HydrophobicContact CB-CH2 3.9Å; V34-W154 HydrophobicContact CB-CZ3 3.74Å; V34-W154 HydrophobicContact CG2-CZ3 3.88Å; V34-W154 VanDerWaalsContact N-CH2 3.31Å; L37-W154 HydrophobicContact CD1-CD2 4.04Å; L37-W154 HydrophobicContact CD1-CE3 3.65Å; L37-W154 HydrophobicContact CD1-CZ3 3.98Å; L37-W154 HydrophobicContact CD2-CB 4.29Å; L37-W154 HydrophobicContact CD2-CD2 3.45Å; L37-W154 VanDerWaalsContact CD2-CD2 3.45Å; L37-W154 HydrophobicContact CD2-CE3 3.94Å; L37-W154 HydrophobicContact CD2-CG 3.57Å; L37-W154 HydrophobicContact CD2-CH2 4.5Å; L37-W154 HydrophobicContact CD2-CZ2 4.08Å; L37-W154 HydrophobicContact CD2-CZ3 4.44Å; L37-W154 HydrophobicContact CG-CD2 4.29Å; L37-W154 HydrophobicContact CG-CE3 4.3Å; I42-W154 HydrophobicContact CD1-CB 4.29Å; K43-W154 PolarHBondContact N-O 2.87Å; V44-W154 PolarHBondContact N-O 2.84Å; V44-W154 VanDerWaalsContact N-O 3.13Å; W154-R198 HydrophobicContact CD2-CB 3.69Å; W154-R198 HydrophobicContact CD2-CG 4.24Å; W154-R198 VanDerWaalsContact CE3-CA 3.47Å; W154-R198 HydrophobicContact CE3-CB 3.5Å; W154-R198 HydrophobicContact CE3-CG 4.32Å; W154-R198 VanDerWaalsContact CE3-O 3.25Å; W154-R198 HydrophobicContact CG-CB 4.39Å; W154-R198 HydrophobicContact CH2-CB 4.12Å; W154-R198 HydrophobicContact CH2-CG 4.13Å; W154-R198 HydrophobicContact CZ2-CB 4.28Å; W154-R198 HydrophobicContact CZ2-CG 4.05Å; W154-R198 VanDerWaalsContact CZ3-C 3.42Å; W154-R198 HydrophobicContact CZ3-CB 3.74Å; W154-R198 HydrophobicContact CZ3-CG 4.27Å; W154-D273 HydrophobicContact CH2-CB 3.93Å; W154-D273 HydrophobicContact CZ3-CB 4.47Å; W154-D273 WeakPolarHBondContact CZ3-O 3.18Å
155	K	98.6	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.5	-175.4	-58.5	145.4	-164.6	92.3	0	110.1	V44 M142 F150 D153 I157 V196 P197 R198 A199 L200	V44-K155 HydrophobicContact CB-CB 4.4Å; V44-K155 HydrophobicContact CB-CG 3.93Å; V44-K155 HydrophobicContact CG1-CG 4.3Å; V44-K155 HydrophobicContact CG2-CG 4.42Å; V44-K155 CarbonylContact O-C 3.46Å; V44-K155 WeakPolarHBondContact O-CA 3.35Å; M142-K155 HydrophobicContact SD-CD 4.36Å; F150-K155 WeakPolarHBondContact O-CE 3.11Å; F150-K155 PolarHBondContact O-NZ 3.27Å; D153-K155 PolarHBondContact O-NZ 2.93Å; K155-I157 HydrophobicContact CB-CG1 4.46Å; K155-V196 HydrophobicContact CD-CG1 3.45Å; K155-V196 VanDerWaalsContact CD-CG1 3.45Å; K155-P197 PolarHBondContact NZ-O 2.85Å; K155-R198 PolarHBondContact N-O 2.9Å; K155-A199 HydrophobicContact CB-CB 4.47Å; K155-A199 WeakPolarHBondContact O-CA 3.35Å; K155-L200 PolarHBondContact O-N 2.77Å
156	L	98.8	Very high	96.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.6	170.7	-176.3	63.8	0	0	0	108.8	I42 V44 V45 A46 L91 L95 L200 M323	I42-L156 HydrophobicContact CD1-CB 4.33Å; I42-L156 HydrophobicContact CG2-CB 3.85Å; V44-L156 PolarHBondContact O-N 2.92Å; V45-L156 WeakPolarHBondContact CA-O 3.11Å; V45-L156 HydrophobicContact CG1-CB 4.42Å; A46-L156 PolarHBondContact N-O 3.42Å; L91-L156 HydrophobicContact CD2-CD2 3.86Å; L91-L156 HydrophobicContact CG-CD2 4.49Å; L95-L156 HydrophobicContact CD1-CD2 3.93Å; L156-L200 WeakPolarHBondContact CA-O 3.13Å; L156-L200 HydrophobicContact CD1-CB 4.01Å; L156-L200 HydrophobicContact CD1-CD2 3.72Å; L156-L200 HydrophobicContact CD1-CG 3.74Å; L156-M323 HydrophobicContact CD1-CE 3.84Å; L156-M323 HydrophobicContact CD2-CE 3.7Å; L156-M323 HydrophobicContact CD2-SD 4.27Å; L156-M323 HydrophobicContact CG-CE 4.44Å
157	I	98.9	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.4	-175.7	-52.3	179.8	0	0	0	108.6	A46 L138 M142 K155 I159 L192 V196 A199 L200 V201 N202	A46-I157 HydrophobicContact CB-CG1 4.23Å; A46-I157 CarbonylContact O-C 3.55Å; A46-I157 WeakPolarHBondContact O-CA 3.38Å; L138-I157 HydrophobicContact CD2-CG2 4.02Å; M142-I157 HydrophobicContact CE-CD1 4.3Å; K155-I157 HydrophobicContact CB-CG1 4.46Å; I157-I159 HydrophobicContact CG2-CG1 4.49Å; I157-L192 HydrophobicContact CD1-CD2 3.86Å; I157-L192 HydrophobicContact CG2-CD1 4.5Å; I157-V196 HydrophobicContact CD1-CG1 4.32Å; I157-A199 HydrophobicContact CD1-CB 4.4Å; I157-L200 PolarHBondContact N-O 2.99Å; I157-V201 HydrophobicContact CB-CG2 4.37Å; I157-V201 CarbonylContact O-C 3.05Å; I157-V201 VanDerWaalsContact O-CA 3.3Å; I157-V201 WeakPolarHBondContact O-CA 3.47Å; I157-N202 PolarHBondContact O-N 3.38Å
158	T	98.8	Very high	97	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.9	175.7	-55.8	0	0	0	0	110.8	A46 A47 V48 W77 C78 N202 V204 L319	A46-T158 PolarHBondContact O-N 3.35Å; A47-T158 VanDerWaalsContact CA-O 3.24Å; A47-T158 WeakPolarHBondContact CA-O 3.32Å; V48-T158 PolarHBondContact N-O 2.81Å; W77-T158 HydrophobicContact CH2-CG2 4.42Å; C78-T158 HydrophobicContact CB-CG2 3.86Å; T158-N202 WeakPolarHBondContact CA-O 3.5Å; T158-N202 HydrophobicContact CG2-CB 4.26Å; T158-V204 HydrophobicContact CG2-CG2 3.91Å; T158-L319 HydrophobicContact CG2-CD2 4.37Å
159	I	98.8	Very high	96.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.2	175.1	-52.9	-173.8	0	0	0	108	V48 I131 I157 L185 L189 L192 V201 N202 L203 V204	V48-I159 HydrophobicContact CG2-CB 4.16Å; V48-I159 HydrophobicContact CG2-CD1 4.29Å; V48-I159 HydrophobicContact CG2-CG1 3.69Å; V48-I159 HydrophobicContact CG2-CG2 4.06Å; I131-I159 HydrophobicContact CG2-CG2 4.34Å; I157-I159 HydrophobicContact CG2-CG1 4.49Å; I159-L185 HydrophobicContact CG2-CD2 3.85Å; I159-L189 HydrophobicContact CD1-CD2 3.83Å; I159-L192 HydrophobicContact CD1-CD1 3.95Å; I159-V201 HydrophobicContact CD1-CG1 3.93Å; I159-V201 HydrophobicContact CG1-CG1 4.07Å; I159-N202 PolarHBondContact N-O 3.29Å; I159-L203 HydrophobicContact CB-CD1 3.99Å; I159-L203 HydrophobicContact CG2-CD1 4.02Å; I159-V204 PolarHBondContact O-N 2.89Å
160	F	98.2	Very high	96.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	115	174.7	178.8	-122.9	0	0	0	110.3	V48 G49 L52 W77 V204 E205 L207 L282 M315	V48-F160 PolarHBondContact O-N 3.06Å; G49-F160 WeakPolarHBondContact CA-O 2.87Å; L52-F160 HydrophobicContact CB-CD1 4.42Å; L52-F160 HydrophobicContact CB-CE1 4Å; L52-F160 HydrophobicContact CD1-CE1 3.74Å; L52-F160 HydrophobicContact CD1-CZ 4.3Å; W77-F160 HydrophobicContact CZ2-CB 4.13Å; W77-F160 HydrophobicContact CZ2-CD1 4.08Å; W77-F160 HydrophobicContact CZ2-CG 4.11Å; F160-V204 HydrophobicContact CB-CB 4.13Å; F160-V204 HydrophobicContact CD2-CB 3.78Å; F160-V204 HydrophobicContact CD2-CG1 3.57Å; F160-V204 HydrophobicContact CE2-CG1 4.02Å; F160-V204 HydrophobicContact CG-CB 4.3Å; F160-V204 HydrophobicContact CG-CG1 4.3Å; F160-E205 WeakPolarHBondContact CE2-O 3.21Å; F160-L207 HydrophobicContact CZ-CD2 4.11Å; F160-L282 HydrophobicContact CE2-CD1 3.66Å; F160-L282 HydrophobicContact CZ-CD1 3.76Å; F160-M315 HydrophobicContact CE1-CE 4.33Å
161	I	98	Very high	95.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.125	C	C	.	.			trans	-155.2	157.3	-175.6	-162.7	60.2	0	0	0	110.6	D50 A126 I131 Y181 L185	D50-I161 HydrophobicContact CB-CD1 3.86Å; A126-I161 HydrophobicContact CB-CD1 4.38Å; A126-I161 VanDerWaalsContact O-CD1 3.31Å; A126-I161 WeakPolarHBondContact O-CD1 3.04Å; I131-I161 HydrophobicContact CD1-CB 3.93Å; I131-I161 HydrophobicContact CD1-CD1 3.98Å; I131-I161 HydrophobicContact CD1-CG1 3.79Å; I131-I161 HydrophobicContact CD1-CG2 4.38Å; I131-I161 HydrophobicContact CG1-CB 4.02Å; I131-I161 HydrophobicContact CG1-CD1 4.43Å; I131-I161 HydrophobicContact CG1-CG1 3.78Å; I131-I161 HydrophobicContact CG1-CG2 3.99Å; I161-Y181 HydrophobicContact CG2-CE2 4.09Å; I161-Y181 PolarHBondContact O-OH 3.08Å; I161-L185 HydrophobicContact CG2-CD1 4.01Å; I161-L185 HydrophobicContact CG2-CD2 3.85Å; I161-L185 HydrophobicContact CG2-CG 4.24Å
162	G	95.6	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.			trans	128.4	-14.7	171.8	0	0	0	0	0	114.2	D165 L166	G162-D165 WeakPolarHBondContact CA-OD2 3.26Å; G162-D165 PolarHBondContact O-N 2.98Å; G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 3.38Å; G162-L166 VanDerWaalsContact O-N 3.1Å
163	G	94.9	Very high	94.6	Very high	10 Å²	10	23.6 Å²	23.6	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-50.3	175.1	0	0	0	0	0	111.7	D165 L166 C167	G163-D165 VanDerWaalsContact C-N 3.34Å; G163-D165 PolarHBondContact O-N 3.45Å; G163-L166 PolarHBondContact O-N 2.91Å; G163-C167 WeakPolarHBondContact O-CB 3.48Å; G163-C167 PolarHBondContact O-N 3.2Å; G163-C167 PolarHBondContact O-SG 3.21Å
164	N	96.1	Very high	93.4	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-35.6	178.6	-65.4	-37.3	0	0	0	112.5	D50 G125 A126 T127 L166 C167 A168	D50-N164 WeakPolarHBondContact CB-ND2 3.38Å; G125-N164 WeakPolarHBondContact CA-ND2 3.5Å; A126-N164 WeakPolarHBondContact O-CB 3.46Å; A126-N164 PolarHBondContact O-ND2 3.24Å; T127-N164 HydrophobicContact CG2-CB 3.71Å; N164-L166 VanDerWaalsContact C-N 3.33Å; N164-L166 PolarHBondContact O-N 2.99Å; N164-C167 WeakPolarHBondContact O-CB 3.5Å; N164-C167 PolarHBondContact O-N 3.23Å; N164-A168 WeakPolarHBondContact O-CB 3.42Å; N164-A168 PolarHBondContact O-N 3.29Å
165	D	96.8	Very high	92.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-43.3	174.1	-57.6	-116.4	0	0	0	111.5	T127 S128 G162 G163 A168 Y169 Y176 Y255	T127-D165 WeakPolarHBondContact CA-OD2 3.48Å; S128-D165 WeakPolarHBondContact CB-OD1 3.34Å; S128-D165 PolarHBondContact N-OD1 2.9Å; S128-D165 PolarHBondContact N-OD2 3.23Å; S128-D165 PolarHBondContact OG-OD1 3.48Å; G162-D165 WeakPolarHBondContact CA-OD2 3.26Å; G162-D165 PolarHBondContact O-N 2.98Å; G163-D165 VanDerWaalsContact C-N 3.34Å; G163-D165 PolarHBondContact O-N 3.45Å; D165-A168 PolarHBondContact O-N 2.68Å; D165-Y169 PolarHBondContact O-N 2.95Å; D165-Y176 HydrophobicContact CB-CD1 4Å; D165-Y176 HydrophobicContact CB-CG 4.42Å; D165-Y255 HydrophobicContact CB-CE2 3.78Å
166	L	96.4	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-39.4	175.8	-67.7	168.8	0	0	0	111.9	G162 G163 N164 A168 Y169 I209 L248 V251 N252 Y255	G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 3.38Å; G162-L166 VanDerWaalsContact O-N 3.1Å; G163-L166 PolarHBondContact O-N 2.91Å; N164-L166 VanDerWaalsContact C-N 3.33Å; N164-L166 PolarHBondContact O-N 2.99Å; L166-A168 PolarHBondContact O-N 3.16Å; L166-Y169 PolarHBondContact O-N 3.2Å; L166-I209 HydrophobicContact CB-CD1 4.3Å; L166-I209 HydrophobicContact CB-CG2 4.24Å; L166-I209 HydrophobicContact CD1-CB 4.37Å; L166-I209 HydrophobicContact CD1-CG2 4.02Å; L166-L248 HydrophobicContact CB-CD1 4.23Å; L166-L248 HydrophobicContact CD2-CD1 4.02Å; L166-L248 WeakPolarHBondContact O-CD1 3.45Å; L166-V251 HydrophobicContact CD2-CG1 4Å; L166-N252 HydrophobicContact CD1-CB 3.95Å; L166-N252 VanDerWaalsContact CD1-CG 3.42Å; L166-N252 HydrophobicContact CD2-CB 3.83Å; L166-Y255 HydrophobicContact CD2-CD2 4.26Å; L166-Y255 HydrophobicContact CD2-CE2 4.12Å; L166-Y255 HydrophobicContact CG-CD2 4.31Å; L166-Y255 HydrophobicContact CG-CE2 4.13Å
167	C	95.1	Very high	91.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-26.1	175.7	-75.5	0	0	0	0	113.7	G163 N164 C232 P233 C234	G163-C167 WeakPolarHBondContact O-CB 3.48Å; G163-C167 PolarHBondContact O-N 3.2Å; G163-C167 PolarHBondContact O-SG 3.21Å; N164-C167 WeakPolarHBondContact O-CB 3.5Å; N164-C167 PolarHBondContact O-N 3.23Å; C167-C232 WeakPolarHBondContact CA-SG 3.28Å; C167-C232 HydrophobicContact CB-CB 3.74Å; C167-C232 WeakPolarHBondContact CB-SG 3.43Å; C167-C232 WeakPolarHBondContact SG-CB 2.94Å; C167-C232 CovalentContact SG-SG 2.04Å; C167-C232 PolarHBondContact SG-SG 3.4Å; C167-P233 WeakPolarHBondContact O-CD 3.42Å; C167-C234 WeakPolarHBondContact O-CB 3.31Å; C167-C234 PolarHBondContact O-N 2.91Å; C167-C234 PolarHBondContact O-SG 3.4Å
168	A	94	Very high	90.7	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	3.3	-179	0	0	0	0	0	114.1	N164 D165 L166 C170 E171 N172 Y176	N164-A168 WeakPolarHBondContact O-CB 3.42Å; N164-A168 PolarHBondContact O-N 3.29Å; D165-A168 PolarHBondContact O-N 2.68Å; L166-A168 PolarHBondContact O-N 3.16Å; A168-C170 VanDerWaalsContact C-N 3.32Å; A168-C170 PolarHBondContact O-N 3.37Å; A168-E171 WeakPolarHBondContact O-CB 3.28Å; A168-E171 PolarHBondContact O-N 3.12Å; A168-N172 PolarHBondContact O-N 3.06Å; A168-Y176 HydrophobicContact CB-CD2 4Å; A168-Y176 HydrophobicContact CB-CE2 3.43Å; A168-Y176 VanDerWaalsContact CB-CE2 3.43Å; A168-Y176 WeakPolarHBondContact O-CD2 3.43Å
169	Y	90.3	Very high	89.7	Confident	43 Å²	43	43 Å²	43	17%	0.169	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-43.5	-174	176.8	-97.7	0	0	0	113.5	D165 L166 E171 N172 N173 Y176 I247 V251	D165-Y169 PolarHBondContact O-N 2.95Å; L166-Y169 PolarHBondContact O-N 3.2Å; Y169-E171 PolarHBondContact O-N 3.26Å; Y169-N172 CarbonylContact O-C 3.58Å; Y169-N172 VanDerWaalsContact O-C 3.28Å; Y169-N172 PolarHBondContact O-N 3.2Å; Y169-N173 HydrophobicContact CD2-CB 4.5Å; Y169-N173 HydrophobicContact CE1-CB 4.1Å; Y169-N173 HydrophobicContact CE2-CB 3.89Å; Y169-N173 VanDerWaalsContact O-CA 3.29Å; Y169-N173 WeakPolarHBondContact O-CA 3.31Å; Y169-N173 PolarHBondContact O-N 3.06Å; Y169-Y176 VanDerWaalsContact CD2-O 3.24Å; Y169-Y176 WeakPolarHBondContact CD2-O 3.39Å; Y169-Y176 WeakPolarHBondContact CE2-O 3.25Å; Y169-I247 HydrophobicContact CE1-CG2 3.6Å; Y169-V251 HydrophobicContact CD1-CG2 4.43Å; Y169-V251 HydrophobicContact CD2-CG1 3.86Å; Y169-V251 HydrophobicContact CD2-CG2 4.24Å; Y169-V251 HydrophobicContact CE1-CG2 3.89Å; Y169-V251 HydrophobicContact CE2-CB 4.4Å; Y169-V251 HydrophobicContact CE2-CG1 3.92Å; Y169-V251 HydrophobicContact CE2-CG2 3.67Å; Y169-V251 HydrophobicContact CG-CG1 4.42Å; Y169-V251 VanDerWaalsContact CZ-CG2 3.46Å
170	C	84.4	Confident	88.9	Confident	83 Å²	83	45.6 Å²	45.6	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.7	178.8	68.7	0	0	0	0	113.9	A168 C234	A168-C170 VanDerWaalsContact C-N 3.32Å; A168-C170 PolarHBondContact O-N 3.37Å; C170-C234 VanDerWaalsContact CA-SG 3.53Å; C170-C234 HydrophobicContact CB-CB 3.8Å; C170-C234 WeakPolarHBondContact CB-SG 3.2Å; C170-C234 PolarHBondContact N-SG 3.03Å; C170-C234 WeakPolarHBondContact SG-CA 3.18Å; C170-C234 WeakPolarHBondContact SG-CB 3.46Å; C170-C234 CovalentContact SG-SG 2.03Å; C170-C234 PolarHBondContact SG-SG 3.31Å
171	E	88.9	Confident	88.8	Confident	134 Å²	134	45.5 Å²	45.5	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-35.5	174.9	-55.3	-176.8	166.5	0	0	111.6	A168 Y169 P233	A168-E171 WeakPolarHBondContact O-CB 3.28Å; A168-E171 PolarHBondContact O-N 3.12Å; Y169-E171 PolarHBondContact O-N 3.26Å; E171-P233 WeakPolarHBondContact OE1-CG 3.42Å
172	N	86.8	Confident	88.5	Confident	67 Å²	67	46.4 Å²	46.4	36%	0.358	25%	0.246	S	C	.	.			trans	-150.7	82	178.1	-167.2	-23.2	0	0	0	112.1	A168 Y169 L174 L175 Y176	A168-N172 PolarHBondContact O-N 3.06Å; Y169-N172 CarbonylContact O-C 3.58Å; Y169-N172 VanDerWaalsContact O-C 3.28Å; Y169-N172 PolarHBondContact O-N 3.2Å; N172-L174 PolarHBondContact O-N 3.09Å; N172-L174 PolarHBondContact OD1-N 2.91Å; N172-L175 HydrophobicContact CB-CB 4.23Å; N172-L175 VanDerWaalsContact CG-CB 3.5Å; N172-L175 PolarHBondContact O-N 2.85Å; N172-L175 WeakPolarHBondContact OD1-CB 3.42Å; N172-L175 PolarHBondContact OD1-N 2.83Å; N172-Y176 HydrophobicContact CB-CD2 4.2Å; N172-Y176 HydrophobicContact CB-CE2 4.08Å; N172-Y176 WeakPolarHBondContact O-CD2 3.4Å; N172-Y176 PolarHBondContact O-N 3.38Å; N172-Y176 VanDerWaalsContact O-N 3.14Å
173	N	81.4	Confident	88.2	Confident	101 Å²	101	48.1 Å²	48.1	54%	0.54	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.9	-177.4	61.9	5.8	0	0	0	114.1	Y169 S177	Y169-N173 HydrophobicContact CD2-CB 4.5Å; Y169-N173 HydrophobicContact CE1-CB 4.1Å; Y169-N173 HydrophobicContact CE2-CB 3.89Å; Y169-N173 VanDerWaalsContact O-CA 3.29Å; Y169-N173 WeakPolarHBondContact O-CA 3.31Å; Y169-N173 PolarHBondContact O-N 3.06Å; N173-S177 WeakPolarHBondContact O-CA 3.36Å; N173-S177 WeakPolarHBondContact O-CB 3.32Å; N173-S177 PolarHBondContact O-N 3Å; N173-S177 VanDerWaalsContact O-N 3.16Å
174	L	72.8	Confident	88.3	Confident	123 Å²	123	49.8 Å²	49.8	64%	0.644	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-51	177.7	-176.8	66.4	0	0	0	110.6	N172 Y176 S177 N180	N172-L174 PolarHBondContact O-N 3.09Å; N172-L174 PolarHBondContact OD1-N 2.91Å; L174-Y176 VanDerWaalsContact C-N 3.34Å; L174-Y176 PolarHBondContact O-N 2.87Å; L174-S177 WeakPolarHBondContact O-CB 3.28Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 PolarHBondContact O-OG 3.05Å; L174-N180 PolarHBondContact O-ND2 3.27Å
175	L	81.8	Confident	88.4	Confident	57 Å²	57	48.7 Å²	48.7	30%	0.298	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-42.7	-179.8	-178.4	61.4	0	0	0	111.4	P129 N172 S177 N180 F184	P129-L175 HydrophobicContact CG-CD1 3.98Å; P129-L175 HydrophobicContact CG-CG 4.3Å; N172-L175 HydrophobicContact CB-CB 4.23Å; N172-L175 VanDerWaalsContact CG-CB 3.5Å; N172-L175 PolarHBondContact O-N 2.85Å; N172-L175 WeakPolarHBondContact OD1-CB 3.42Å; N172-L175 PolarHBondContact OD1-N 2.83Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.24Å; L175-N180 VanDerWaalsContact O-CB 3.27Å; L175-N180 WeakPolarHBondContact O-CB 3.45Å; L175-F184 HydrophobicContact CD1-CE2 4.37Å; L175-F184 HydrophobicContact CD1-CZ 4.38Å
176	Y	89.8	Confident	88.4	Confident	33 Å²	33	52.7 Å²	52.7	13%	0.129	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	29.8	178.9	-48.7	-56.5	0	0	0	112.2	T127 D165 A168 Y169 N172 L174 Y255	T127-Y176 HydrophobicContact CG2-CE1 3.8Å; D165-Y176 HydrophobicContact CB-CD1 4Å; D165-Y176 HydrophobicContact CB-CG 4.42Å; A168-Y176 HydrophobicContact CB-CD2 4Å; A168-Y176 HydrophobicContact CB-CE2 3.43Å; A168-Y176 VanDerWaalsContact CB-CE2 3.43Å; A168-Y176 WeakPolarHBondContact O-CD2 3.43Å; Y169-Y176 VanDerWaalsContact CD2-O 3.24Å; Y169-Y176 WeakPolarHBondContact CD2-O 3.39Å; Y169-Y176 WeakPolarHBondContact CE2-O 3.25Å; N172-Y176 HydrophobicContact CB-CD2 4.2Å; N172-Y176 HydrophobicContact CB-CE2 4.08Å; N172-Y176 WeakPolarHBondContact O-CD2 3.4Å; N172-Y176 PolarHBondContact O-N 3.38Å; N172-Y176 VanDerWaalsContact O-N 3.14Å; L174-Y176 VanDerWaalsContact C-N 3.34Å; L174-Y176 PolarHBondContact O-N 2.87Å; Y176-Y255 PolarHBondContact O-OH 3.38Å
177	S	83.2	Confident	88.5	Confident	27 Å²	27	56.6 Å²	56.6	19%	0.189	30%	0.298	C	S	.	.	S	Bend	trans	-69.9	157.1	170.5	62.7	0	0	0	0	110.6	N173 L174 L175 E179 N180 Y181	N173-S177 WeakPolarHBondContact O-CA 3.36Å; N173-S177 WeakPolarHBondContact O-CB 3.32Å; N173-S177 PolarHBondContact O-N 3Å; N173-S177 VanDerWaalsContact O-N 3.16Å; L174-S177 WeakPolarHBondContact O-CB 3.28Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 PolarHBondContact O-OG 3.05Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.24Å; S177-E179 PolarHBondContact O-N 3.29Å; S177-N180 PolarHBondContact O-N 2.93Å; S177-N180 PolarHBondContact OG-N 3.45Å; S177-N180 PolarHBondContact OG-ND2 3.23Å; S177-Y181 WeakPolarHBondContact O-CB 3.22Å; S177-Y181 PolarHBondContact O-N 3.2Å
178	V	82.1	Confident	88.6	Confident	22 Å²	22	56.6 Å²	56.6	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-40.1	177.5	179.5	0	0	0	0	112	V182 V251 G254 Y255 S258 L426	V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.47Å; V178-V182 VanDerWaalsContact O-N 3.13Å; V178-V251 HydrophobicContact CG2-CG1 4.27Å; V178-G254 WeakPolarHBondContact CG1-O 3.4Å; V178-Y255 HydrophobicContact CB-CD1 4.21Å; V178-Y255 HydrophobicContact CB-CE1 4.39Å; V178-Y255 HydrophobicContact CG1-CD1 4.35Å; V178-Y255 HydrophobicContact CG2-CD1 3.87Å; V178-Y255 HydrophobicContact CG2-CE1 4.08Å; V178-S258 WeakPolarHBondContact CG1-OG 3.33Å; V178-L426 HydrophobicContact CG2-CD1 3.87Å
179	E	78.6	Confident	88.8	Confident	162 Å²	162	56 Å²	56	76%	0.757	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-47.7	178.8	-174.9	173.5	-170.4	0	0	111.8	S177 G183	S177-E179 PolarHBondContact O-N 3.29Å; E179-G183 PolarHBondContact O-N 3.15Å
180	N	82.4	Confident	89.2	Confident	55 Å²	55	55.9 Å²	55.9	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-43.1	179.2	-79	-21.5	0	0	0	112.1	L174 L175 S177 V182 G183 F184	L174-N180 PolarHBondContact O-ND2 3.27Å; L175-N180 VanDerWaalsContact O-CB 3.27Å; L175-N180 WeakPolarHBondContact O-CB 3.45Å; S177-N180 PolarHBondContact O-N 2.93Å; S177-N180 PolarHBondContact OG-N 3.45Å; S177-N180 PolarHBondContact OG-ND2 3.23Å; N180-V182 PolarHBondContact O-N 3.45Å; N180-G183 WeakPolarHBondContact O-CA 3.49Å; N180-G183 PolarHBondContact O-N 2.79Å; N180-G183 VanDerWaalsContact O-N 3.07Å; N180-F184 HydrophobicContact CB-CE2 4.01Å; N180-F184 WeakPolarHBondContact O-CD2 3.47Å; N180-F184 PolarHBondContact O-N 3.45Å
181	Y	94.4	Very high	89.9	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-50.6	175.9	171.8	-97.5	0	0	0	112.1	S128 I161 S177 G183 L185 Y255 L259	S128-Y181 VanDerWaalsContact CB-CD2 3.5Å; I161-Y181 HydrophobicContact CG2-CE2 4.09Å; I161-Y181 PolarHBondContact O-OH 3.08Å; S177-Y181 WeakPolarHBondContact O-CB 3.22Å; S177-Y181 PolarHBondContact O-N 3.2Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-L185 HydrophobicContact CE1-CD1 3.83Å; Y181-L185 HydrophobicContact CE2-CD1 4.15Å; Y181-L185 PolarHBondContact O-N 3.42Å; Y181-Y255 VanDerWaalsContact CB-CZ 3.47Å; Y181-Y255 AromaticContact CD1-CD1 3.62Å; Y181-Y255 HydrophobicContact CD1-CD1 3.62Å; Y181-Y255 AromaticContact CD1-CD2 3.75Å; Y181-Y255 HydrophobicContact CD1-CD2 3.75Å; Y181-Y255 HydrophobicContact CD1-CE1 4.03Å; Y181-Y255 HydrophobicContact CD1-CE2 4.14Å; Y181-Y255 AromaticContact CD1-CG 3.46Å; Y181-Y255 HydrophobicContact CD1-CG 3.46Å; Y181-Y255 VanDerWaalsContact CD1-CG 3.46Å; Y181-Y255 AromaticContact CD2-CD2 3.72Å; Y181-Y255 HydrophobicContact CD2-CD2 3.72Å; Y181-Y255 HydrophobicContact CD2-CE1 4.31Å; Y181-Y255 AromaticContact CD2-CE2 3.42Å; Y181-Y255 HydrophobicContact CD2-CE2 3.42Å; Y181-Y255 VanDerWaalsContact CD2-CE2 3.42Å; Y181-Y255 HydrophobicContact CD2-CG 4.26Å; Y181-Y255 AromaticContact CD2-CZ 3.73Å; Y181-Y255 HydrophobicContact CE1-CD1 4.31Å; Y181-Y255 AromaticContact CE1-CD2 3.8Å; Y181-Y255 HydrophobicContact CE1-CD2 3.8Å; Y181-Y255 HydrophobicContact CE1-CE2 4.48Å; Y181-Y255 AromaticContact CE1-CG 3.68Å; Y181-Y255 HydrophobicContact CE1-CG 3.68Å; Y181-Y255 AromaticContact CE2-CD2 3.78Å; Y181-Y255 HydrophobicContact CE2-CD2 3.78Å; Y181-Y255 AromaticContact CE2-CE2 3.83Å; Y181-Y255 HydrophobicContact CE2-CE2 3.83Å; Y181-Y255 HydrophobicContact CE2-CG 4.46Å; Y181-Y255 AromaticContact CG-CD1 3.76Å; Y181-Y255 HydrophobicContact CG-CD1 3.76Å; Y181-Y255 AromaticContact CG-CD2 3.72Å; Y181-Y255 HydrophobicContact CG-CD2 3.72Å; Y181-Y255 AromaticContact CG-CE1 3.66Å; Y181-Y255 HydrophobicContact CG-CE1 3.66Å; Y181-Y255 AromaticContact CG-CE2 3.6Å; Y181-Y255 HydrophobicContact CG-CE2 3.6Å; Y181-Y255 AromaticContact CG-CG 3.78Å; Y181-Y255 HydrophobicContact CG-CG 3.78Å; Y181-Y255 AromaticContact CG-CZ 3.55Å; Y181-Y255 AromaticContact CZ-CD2 3.82Å; Y181-L259 HydrophobicContact CE1-CD1 3.85Å; Y181-L259 HydrophobicContact CE1-CD2 4.03Å; Y181-L259 HydrophobicContact CE1-CG 3.91Å
182	V	93.2	Very high	90.3	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-70.2	-32.9	176.8	176.4	0	0	0	0	111.6	V178 N180 L185 K186 S258 L259 L262	V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.47Å; V178-V182 VanDerWaalsContact O-N 3.13Å; N180-V182 PolarHBondContact O-N 3.45Å; V182-L185 PolarHBondContact O-N 3.3Å; V182-K186 WeakPolarHBondContact O-CB 3.14Å; V182-K186 PolarHBondContact O-N 3.39Å; V182-S258 VanDerWaalsContact CG2-CB 3.46Å; V182-L259 HydrophobicContact CG2-CD2 4.03Å; V182-L259 HydrophobicContact CG2-CG 4.47Å; V182-L262 HydrophobicContact CG1-CB 4.14Å; V182-L262 HydrophobicContact CG1-CD2 3.89Å; V182-L262 HydrophobicContact CG1-CG 4.5Å
183	G	88.5	Confident	90.9	Very high	36 Å²	36	46.2 Å²	46.2	37%	0.371	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-48.4	174.6	0	0	0	0	0	113.1	E179 N180 Y181 K186 E187	E179-G183 PolarHBondContact O-N 3.15Å; N180-G183 WeakPolarHBondContact O-CA 3.49Å; N180-G183 PolarHBondContact O-N 2.79Å; N180-G183 VanDerWaalsContact O-N 3.07Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; G183-K186 PolarHBondContact O-N 3.31Å; G183-E187 PolarHBondContact O-N 3.48Å
184	F	97.1	Very high	91.6	Very high	45 Å²	45	49.2 Å²	49.2	20%	0.197	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-38	178.7	-64.9	-58.6	0	0	0	112.8	S128 P129 P132 L175 N180 E187 S188	S128-F184 VanDerWaalsContact O-CB 3.3Å; S128-F184 WeakPolarHBondContact O-CB 3.43Å; P129-F184 HydrophobicContact CB-CD2 4.27Å; P129-F184 HydrophobicContact CB-CE1 4.26Å; P129-F184 HydrophobicContact CB-CE2 3.99Å; P129-F184 HydrophobicContact CB-CZ 3.98Å; P129-F184 HydrophobicContact CG-CD2 3.92Å; P129-F184 HydrophobicContact CG-CE2 3.52Å; P129-F184 HydrophobicContact CG-CZ 3.93Å; P132-F184 HydrophobicContact CG-CB 4.4Å; P132-F184 HydrophobicContact CG-CD1 4.42Å; L175-F184 HydrophobicContact CD1-CE2 4.37Å; L175-F184 HydrophobicContact CD1-CZ 4.38Å; N180-F184 HydrophobicContact CB-CE2 4.01Å; N180-F184 WeakPolarHBondContact O-CD2 3.47Å; N180-F184 PolarHBondContact O-N 3.45Å; F184-E187 PolarHBondContact O-N 3.33Å; F184-S188 WeakPolarHBondContact O-CB 3.02Å; F184-S188 PolarHBondContact O-N 2.76Å; F184-S188 VanDerWaalsContact O-N 3.09Å; F184-S188 PolarHBondContact O-OG 3.16Å
185	L	98.2	Very high	92.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-39.5	174.7	-78	176.3	0	0	0	111.4	I131 I159 I161 Y181 V182 S188 L189 L203 L259	I131-L185 HydrophobicContact CG2-CD2 4.12Å; I159-L185 HydrophobicContact CG2-CD2 3.85Å; I161-L185 HydrophobicContact CG2-CD1 4.01Å; I161-L185 HydrophobicContact CG2-CD2 3.85Å; I161-L185 HydrophobicContact CG2-CG 4.24Å; Y181-L185 HydrophobicContact CE1-CD1 3.83Å; Y181-L185 HydrophobicContact CE2-CD1 4.15Å; Y181-L185 PolarHBondContact O-N 3.42Å; V182-L185 PolarHBondContact O-N 3.3Å; L185-S188 PolarHBondContact O-N 2.83Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.2Å; L185-L189 PolarHBondContact O-N 2.94Å; L185-L203 HydrophobicContact CD1-CD1 4.46Å; L185-L203 HydrophobicContact CD2-CD1 4.45Å; L185-L259 HydrophobicContact CB-CD2 4.35Å; L185-L259 HydrophobicContact CD1-CD1 4.2Å; L185-L259 HydrophobicContact CD1-CD2 3.56Å; L185-L259 HydrophobicContact CD1-CG 4.47Å
186	K	97.3	Very high	93.6	Very high	83 Å²	83	43.2 Å²	43.2	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-60.1	-47.2	172.5	-179.1	-173.1	169.8	-154.6	0	111.6	V182 G183 S188 L189 D190 L262	V182-K186 WeakPolarHBondContact O-CB 3.14Å; V182-K186 PolarHBondContact O-N 3.39Å; G183-K186 PolarHBondContact O-N 3.31Å; K186-S188 VanDerWaalsContact C-N 3.27Å; K186-S188 PolarHBondContact O-N 3.04Å; K186-L189 PolarHBondContact O-N 3.49Å; K186-D190 VanDerWaalsContact O-CB 3.29Å; K186-D190 WeakPolarHBondContact O-CB 3.42Å; K186-D190 PolarHBondContact O-N 2.86Å; K186-L262 HydrophobicContact CB-CD1 4.26Å; K186-L262 HydrophobicContact CB-CD2 3.9Å; K186-L262 HydrophobicContact CD-CD1 4.19Å; K186-L262 HydrophobicContact CG-CD1 4.02Å; K186-L262 HydrophobicContact CG-CD2 4.49Å
187	E	97.4	Very high	94	Very high	83 Å²	83	43 Å²	43	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-54.8	-46.4	175.6	-175.3	-167.5	155.8	0	0	111.2	R136 G183 F184 Y191	R136-E187 IonicContact CZ-OE1 2.75Å; R136-E187 IonicContact NH2-OE1 3.04Å; R136-E187 PolarHBondContact NH2-OE1 3.16Å; G183-E187 PolarHBondContact O-N 3.48Å; F184-E187 PolarHBondContact O-N 3.33Å; E187-Y191 WeakPolarHBondContact O-CB 3.33Å; E187-Y191 PolarHBondContact O-N 3.42Å
188	S	98.5	Very high	94.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-44.4	-178.6	-58.3	0	0	0	0	112.7	I131 P132 F184 L185 K186 Y191 L192	I131-S188 WeakPolarHBondContact CG2-OG 3.33Å; P132-S188 WeakPolarHBondContact CA-OG 3.32Å; P132-S188 WeakPolarHBondContact CD-OG 3.38Å; P132-S188 WeakPolarHBondContact CG-OG 3.37Å; P132-S188 VanDerWaalsContact N-OG 3.16Å; F184-S188 WeakPolarHBondContact O-CB 3.02Å; F184-S188 PolarHBondContact O-N 2.76Å; F184-S188 VanDerWaalsContact O-N 3.09Å; F184-S188 PolarHBondContact O-OG 3.16Å; L185-S188 PolarHBondContact O-N 2.83Å; K186-S188 VanDerWaalsContact C-N 3.27Å; K186-S188 PolarHBondContact O-N 3.04Å; S188-Y191 PolarHBondContact O-N 3.36Å; S188-L192 WeakPolarHBondContact O-CG 3.48Å; S188-L192 PolarHBondContact O-N 3.1Å
189	L	98.6	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-40.3	178.9	-67.1	173.7	0	0	0	111.9	I159 L185 K186 Y191 L192 Q193 V201 L203 L262 I263 Y268 V276	I159-L189 HydrophobicContact CD1-CD2 3.83Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.2Å; L185-L189 PolarHBondContact O-N 2.94Å; K186-L189 PolarHBondContact O-N 3.49Å; L189-Y191 VanDerWaalsContact C-N 3.28Å; L189-Y191 PolarHBondContact O-N 3.36Å; L189-L192 HydrophobicContact CD2-CD1 4.48Å; L189-L192 PolarHBondContact O-N 2.82Å; L189-Q193 WeakPolarHBondContact O-CB 3.46Å; L189-Q193 PolarHBondContact O-N 2.92Å; L189-V201 HydrophobicContact CD2-CG1 3.95Å; L189-L203 HydrophobicContact CD1-CD2 4.21Å; L189-L262 HydrophobicContact CD1-CD2 4.3Å; L189-I263 HydrophobicContact CD1-CD1 3.96Å; L189-Y268 HydrophobicContact CB-CD1 4.47Å; L189-Y268 HydrophobicContact CB-CE1 3.66Å; L189-Y268 HydrophobicContact CB-CE2 4.24Å; L189-Y268 WeakPolarHBondContact CB-OH 3.08Å; L189-Y268 HydrophobicContact CD1-CE2 3.92Å; L189-V276 HydrophobicContact CD1-CG1 4.28Å; L189-V276 HydrophobicContact CD1-CG2 4.47Å; L189-V276 HydrophobicContact CD2-CG1 4.11Å; L189-V276 HydrophobicContact CD2-CG2 3.85Å
190	D	98.1	Very high	96.4	Very high	42 Å²	42	35.5 Å²	35.5	23%	0.225	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-40.4	173.1	-79.7	-13.9	0	0	0	110.6	K186 K194 R267 Y268	K186-D190 VanDerWaalsContact O-CB 3.29Å; K186-D190 WeakPolarHBondContact O-CB 3.42Å; K186-D190 PolarHBondContact O-N 2.86Å; D190-K194 WeakPolarHBondContact O-CB 3.49Å; D190-K194 PolarHBondContact O-N 2.71Å; D190-K194 VanDerWaalsContact O-N 3.13Å; D190-R267 VanDerWaalsContact CG-NH2 3.33Å; D190-R267 IonicContact OD1-CZ 3.28Å; D190-R267 IonicContact OD1-NE 2.68Å; D190-R267 PolarHBondContact OD1-NE 3.02Å; D190-R267 IonicContact OD1-NH2 3.59Å; D190-R267 PolarHBondContact OD1-NH2 2.03Å; D190-R267 VanDerWaalsContact OD1-NH2 3.12Å; D190-R267 IonicContact OD2-CZ 2.74Å; D190-R267 IonicContact OD2-NE 3.65Å; D190-R267 IonicContact OD2-NH2 3.69Å; D190-R267 PolarHBondContact OD2-NH2 3.18Å; D190-Y268 PolarHBondContact OD1-OH 3.47Å
191	Y	98.5	Very high	97.2	Very high	56 Å²	56	32.9 Å²	32.9	22%	0.22	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-44.1	175	-175.3	-93.9	0	0	0	112.3	V135 R136 V139 E187 S188 L189 K194 E195	V135-Y191 HydrophobicContact CG1-CD1 3.77Å; V135-Y191 HydrophobicContact CG1-CE1 4.41Å; R136-Y191 HydrophobicContact CG-CD1 4.37Å; R136-Y191 HydrophobicContact CG-CE1 3.93Å; R136-Y191 HydrophobicContact CG-CE2 4.27Å; V139-Y191 HydrophobicContact CB-CE1 4.12Å; V139-Y191 HydrophobicContact CG1-CE1 4.35Å; V139-Y191 HydrophobicContact CG2-CD1 4.41Å; V139-Y191 HydrophobicContact CG2-CE1 3.91Å; E187-Y191 WeakPolarHBondContact O-CB 3.33Å; E187-Y191 PolarHBondContact O-N 3.42Å; S188-Y191 PolarHBondContact O-N 3.36Å; L189-Y191 VanDerWaalsContact C-N 3.28Å; L189-Y191 PolarHBondContact O-N 3.36Å; Y191-K194 PolarHBondContact O-N 3.37Å; Y191-E195 HydrophobicContact CD1-CG 4.33Å; Y191-E195 HydrophobicContact CD2-CG 4.13Å; Y191-E195 HydrophobicContact CE1-CB 4.27Å; Y191-E195 HydrophobicContact CE1-CG 4.01Å; Y191-E195 HydrophobicContact CE2-CG 3.77Å; Y191-E195 HydrophobicContact CG-CG 4.4Å; Y191-E195 WeakPolarHBondContact O-CB 3.35Å; Y191-E195 WeakPolarHBondContact O-CG 3.45Å; Y191-E195 PolarHBondContact O-N 2.88Å
192	L	98.6	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-46.2	176	-75.6	173.7	0	0	0	111.9	V135 V139 I157 I159 S188 L189 K194 E195 V196 V201 F274	V135-L192 HydrophobicContact CG1-CD1 4.33Å; V135-L192 HydrophobicContact CG1-CD2 3.74Å; V135-L192 HydrophobicContact CG1-CG 3.69Å; V135-L192 HydrophobicContact CG2-CD1 4.45Å; V139-L192 HydrophobicContact CG2-CD2 3.92Å; I157-L192 HydrophobicContact CD1-CD2 3.86Å; I157-L192 HydrophobicContact CG2-CD1 4.5Å; I159-L192 HydrophobicContact CD1-CD1 3.95Å; S188-L192 WeakPolarHBondContact O-CG 3.48Å; S188-L192 PolarHBondContact O-N 3.1Å; L189-L192 HydrophobicContact CD2-CD1 4.48Å; L189-L192 PolarHBondContact O-N 2.82Å; L192-K194 PolarHBondContact O-N 2.81Å; L192-E195 PolarHBondContact O-N 2.98Å; L192-V196 HydrophobicContact CD2-CG2 3.7Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 PolarHBondContact O-N 3.36Å; L192-V201 HydrophobicContact CD1-CG2 4.25Å; L192-F274 HydrophobicContact CB-CE2 3.94Å; L192-F274 HydrophobicContact CB-CZ 3.88Å
193	Q	97.9	Very high	97.7	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-33.8	178.1	-175	178.9	36.3	0	0	111.9	L189 R267 Y268 T270 F274	L189-Q193 WeakPolarHBondContact O-CB 3.46Å; L189-Q193 PolarHBondContact O-N 2.92Å; Q193-R267 PolarHBondContact NE2-O 2.83Å; Q193-Y268 HydrophobicContact CB-CD1 4.41Å; Q193-T270 PolarHBondContact NE2-OG1 2.66Å; Q193-F274 HydrophobicContact CB-CD1 3.82Å; Q193-F274 HydrophobicContact CB-CE1 3.55Å; Q193-F274 HydrophobicContact CB-CE2 4.32Å; Q193-F274 HydrophobicContact CB-CG 4.29Å; Q193-F274 HydrophobicContact CB-CZ 3.84Å; Q193-F274 HydrophobicContact CG-CD1 3.68Å; Q193-F274 HydrophobicContact CG-CE1 3.94Å; Q193-F274 HydrophobicContact CG-CG 4.12Å
194	K	97.6	Very high	98.1	Very high	163 Å²	163	30.4 Å²	30.4	71%	0.709	14%	0.138	S	C	*	.	H	α-helix	trans	-77.7	-41.3	178.6	-179.5	-178.2	170.8	-174.5	0	113	D190 Y191 L192	D190-K194 WeakPolarHBondContact O-CB 3.49Å; D190-K194 PolarHBondContact O-N 2.71Å; D190-K194 VanDerWaalsContact O-N 3.13Å; Y191-K194 PolarHBondContact O-N 3.37Å; L192-K194 PolarHBondContact O-N 2.81Å
195	E	98.2	Very high	97.9	Very high	52 Å²	52	28.3 Å²	28.3	24%	0.243	13%	0.128	C	C	.	.	H	α-helix	trans	-104.8	-18.1	-164.7	-67.6	-68.9	144.5	0	0	114.8	V139 K143 F150 Y191 L192	V139-E195 HydrophobicContact CG1-CB 4.22Å; K143-E195 IonicContact NZ-OE2 3.61Å; K143-E195 PolarHBondContact NZ-OE2 2.94Å; F150-E195 VanDerWaalsContact CE1-O 3.28Å; F150-E195 WeakPolarHBondContact CE1-O 3.5Å; F150-E195 VanDerWaalsContact CZ-O 3.25Å; F150-E195 WeakPolarHBondContact CZ-O 3.49Å; Y191-E195 HydrophobicContact CD1-CG 4.33Å; Y191-E195 HydrophobicContact CD2-CG 4.13Å; Y191-E195 HydrophobicContact CE1-CB 4.27Å; Y191-E195 HydrophobicContact CE1-CG 4.01Å; Y191-E195 HydrophobicContact CE2-CG 3.77Å; Y191-E195 HydrophobicContact CG-CG 4.4Å; Y191-E195 WeakPolarHBondContact O-CB 3.35Å; Y191-E195 WeakPolarHBondContact O-CG 3.45Å; Y191-E195 PolarHBondContact O-N 2.88Å; L192-E195 PolarHBondContact O-N 2.98Å
196	V	98.1	Very high	97.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	13%	0.129	C	C	.	.			trans	-117.5	101.3	-171.9	-169.3	0	0	0	0	110.7	V139 M142 F150 K155 I157 L192 A199	V139-V196 HydrophobicContact CG1-CG2 4.34Å; V139-V196 HydrophobicContact CG2-CG2 3.52Å; M142-V196 HydrophobicContact CE-CG1 4.27Å; M142-V196 HydrophobicContact CE-CG2 4.12Å; F150-V196 HydrophobicContact CE2-CG1 4.47Å; F150-V196 HydrophobicContact CZ-CB 4.48Å; F150-V196 HydrophobicContact CZ-CG1 4.37Å; F150-V196 HydrophobicContact CZ-CG2 4.26Å; K155-V196 HydrophobicContact CD-CG1 3.45Å; K155-V196 VanDerWaalsContact CD-CG1 3.45Å; I157-V196 HydrophobicContact CD1-CG1 4.32Å; L192-V196 HydrophobicContact CD2-CG2 3.7Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 PolarHBondContact O-N 3.36Å; V196-A199 HydrophobicContact CB-CB 4.48Å; V196-A199 HydrophobicContact CG1-CB 3.97Å
197	P	97.4	Very high	97.4	Very high	27 Å²	27	26.5 Å²	26.5	18%	0.175	12%	0.122	C	C	.	.	S	Bend	trans	-72.4	153.9	174.9	31.2	-34.3	0	0	0	110.5	F150 K155	F150-P197 HydrophobicContact CD1-CG 4.49Å; F150-P197 HydrophobicContact CE1-CG 4.37Å; F150-P197 WeakPolarHBondContact O-CG 3.44Å; K155-P197 PolarHBondContact NZ-O 2.85Å
198	R	97.9	Very high	97	Very high	55 Å²	55	25 Å²	25	21%	0.208	11%	0.113	C	C	.	.	S	Bend	trans	54	60.9	176.2	-62.9	178.7	-178.9	-120.4	-8.8	113.2	P31 E151 S152 W154 K155 D273	P31-R198 PolarHBondContact O-NH1 2.85Å; E151-R198 WeakPolarHBondContact O-CD 3.23Å; E151-R198 PolarHBondContact O-NE 2.82Å; S152-R198 WeakPolarHBondContact O-CD 3.4Å; S152-R198 PolarHBondContact O-NH1 2.93Å; W154-R198 HydrophobicContact CD2-CB 3.69Å; W154-R198 HydrophobicContact CD2-CG 4.24Å; W154-R198 VanDerWaalsContact CE3-CA 3.47Å; W154-R198 HydrophobicContact CE3-CB 3.5Å; W154-R198 HydrophobicContact CE3-CG 4.32Å; W154-R198 VanDerWaalsContact CE3-O 3.25Å; W154-R198 HydrophobicContact CG-CB 4.39Å; W154-R198 HydrophobicContact CH2-CB 4.12Å; W154-R198 HydrophobicContact CH2-CG 4.13Å; W154-R198 HydrophobicContact CZ2-CB 4.28Å; W154-R198 HydrophobicContact CZ2-CG 4.05Å; W154-R198 VanDerWaalsContact CZ3-C 3.42Å; W154-R198 HydrophobicContact CZ3-CB 3.74Å; W154-R198 HydrophobicContact CZ3-CG 4.27Å; K155-R198 PolarHBondContact N-O 2.9Å; R198-D273 CarbonylContact C-O 3.44Å; R198-D273 WeakPolarHBondContact CA-O 3.37Å; R198-D273 HydrophobicContact CG-CB 4.2Å; R198-D273 PolarHBondContact N-O 3.42Å; R198-D273 PolarHBondContact N-OD2 2.87Å
199	A	98.4	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.9	-178	0	0	0	0	0	113.4	K155 I157 V196 D273 F274 T275	K155-A199 HydrophobicContact CB-CB 4.47Å; K155-A199 WeakPolarHBondContact O-CA 3.35Å; I157-A199 HydrophobicContact CD1-CB 4.4Å; V196-A199 HydrophobicContact CB-CB 4.48Å; V196-A199 HydrophobicContact CG1-CB 3.97Å; A199-D273 PolarHBondContact N-O 2.79Å; A199-F274 HydrophobicContact CB-CD2 3.81Å; A199-F274 HydrophobicContact CB-CE2 3.95Å; A199-F274 WeakPolarHBondContact O-CA 3.28Å; A199-T275 PolarHBondContact O-N 3.46Å
200	L	98.6	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.9	163	174.2	61	0	0	0	107.7	V34 L37 K155 L156 I157 T275 V277 M323 I352 T354	V34-L200 HydrophobicContact CG2-CB 3.88Å; V34-L200 HydrophobicContact CG2-CD1 4.28Å; L37-L200 HydrophobicContact CD1-CB 4.34Å; K155-L200 PolarHBondContact O-N 2.77Å; L156-L200 WeakPolarHBondContact CA-O 3.13Å; L156-L200 HydrophobicContact CD1-CB 4.01Å; L156-L200 HydrophobicContact CD1-CD2 3.72Å; L156-L200 HydrophobicContact CD1-CG 3.74Å; I157-L200 PolarHBondContact N-O 2.99Å; L200-T275 HydrophobicContact CD1-CG2 3.35Å; L200-V277 HydrophobicContact CD1-CG2 3.84Å; L200-M323 HydrophobicContact CD2-CE 4.35Å; L200-I352 HydrophobicContact CD2-CB 4.25Å; L200-I352 HydrophobicContact CD2-CD1 4.13Å; L200-I352 HydrophobicContact CD2-CG2 3.57Å; L200-T354 HydrophobicContact CD1-CG2 4.25Å
201	V	98.8	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.6	177.3	-174.1	0	0	0	0	109.9	I157 I159 L189 L192 F274 T275 V276 V277	I157-V201 HydrophobicContact CB-CG2 4.37Å; I157-V201 CarbonylContact O-C 3.05Å; I157-V201 VanDerWaalsContact O-CA 3.3Å; I157-V201 WeakPolarHBondContact O-CA 3.47Å; I159-V201 HydrophobicContact CD1-CG1 3.93Å; I159-V201 HydrophobicContact CG1-CG1 4.07Å; L189-V201 HydrophobicContact CD2-CG1 3.95Å; L192-V201 HydrophobicContact CD1-CG2 4.25Å; V201-F274 HydrophobicContact CG2-CE2 3.98Å; V201-F274 HydrophobicContact CG2-CZ 3.74Å; V201-T275 PolarHBondContact N-O 3.13Å; V201-V276 HydrophobicContact CB-CB 4.41Å; V201-V276 HydrophobicContact CB-CG1 4.27Å; V201-V276 HydrophobicContact CB-CG2 4.09Å; V201-V276 HydrophobicContact CG1-CG1 4.34Å; V201-V276 HydrophobicContact CG2-CG2 4.4Å; V201-V277 PolarHBondContact O-N 3.17Å
202	N	98.6	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	108.9	164.8	-75.6	-28.9	0	0	0	109	I157 T158 I159 Q279 L319 M323	I157-N202 PolarHBondContact O-N 3.38Å; T158-N202 WeakPolarHBondContact CA-O 3.5Å; T158-N202 HydrophobicContact CG2-CB 4.26Å; I159-N202 PolarHBondContact N-O 3.29Å; N202-Q279 HydrophobicContact CB-CG 4.2Å; N202-Q279 PolarHBondContact OD1-NE2 3.12Å; N202-L319 HydrophobicContact CB-CD1 4.4Å; N202-M323 PolarHBondContact ND2-SD 3.45Å
203	L	98.5	Very high	94.6	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.7	171.4	-177.9	62.3	0	0	0	108.9	I159 L185 L189 L259 I263 V276 V277 I278 Q279	I159-L203 HydrophobicContact CB-CD1 3.99Å; I159-L203 HydrophobicContact CG2-CD1 4.02Å; L185-L203 HydrophobicContact CD1-CD1 4.46Å; L185-L203 HydrophobicContact CD2-CD1 4.45Å; L189-L203 HydrophobicContact CD1-CD2 4.21Å; L203-L259 HydrophobicContact CD2-CD1 4.47Å; L203-L259 HydrophobicContact CD2-CD2 4.28Å; L203-I263 HydrophobicContact CD2-CD1 4.08Å; L203-I263 HydrophobicContact CD2-CG1 4.06Å; L203-V276 HydrophobicContact CB-CG1 3.87Å; L203-V276 HydrophobicContact CD2-CG1 4.31Å; L203-V277 PolarHBondContact N-O 2.83Å; L203-I278 HydrophobicContact CD2-CG1 4.47Å; L203-I278 CarbonylContact O-C 3.41Å; L203-I278 VanDerWaalsContact O-CA 3.29Å; L203-I278 WeakPolarHBondContact O-CA 3.41Å; L203-Q279 PolarHBondContact O-N 2.99Å
204	V	97.8	Very high	94.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.7	-175.9	-179.8	0	0	0	0	108.3	W77 T158 I159 F160 Q279 F281 L282 L319	W77-V204 HydrophobicContact CH2-CB 4.27Å; W77-V204 HydrophobicContact CH2-CG1 3.98Å; W77-V204 HydrophobicContact CH2-CG2 3.66Å; W77-V204 HydrophobicContact CZ2-CG2 4.49Å; T158-V204 HydrophobicContact CG2-CG2 3.91Å; I159-V204 PolarHBondContact O-N 2.89Å; F160-V204 HydrophobicContact CB-CB 4.13Å; F160-V204 HydrophobicContact CD2-CB 3.78Å; F160-V204 HydrophobicContact CD2-CG1 3.57Å; F160-V204 HydrophobicContact CE2-CG1 4.02Å; F160-V204 HydrophobicContact CG-CB 4.3Å; F160-V204 HydrophobicContact CG-CG1 4.3Å; V204-Q279 HydrophobicContact CG2-CB 4.23Å; V204-F281 HydrophobicContact CG1-CE1 3.87Å; V204-F281 HydrophobicContact CG1-CZ 3.96Å; V204-F281 HydrophobicContact CG2-CE1 4.45Å; V204-L282 HydrophobicContact CG1-CD1 4Å; V204-L319 HydrophobicContact CG2-CD1 4.35Å
205	E	93.3	Very high	93.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-65.9	145.7	-179	-65.8	-165.7	160.2	0	0	112.1	F160 L207 H260 I278 Q279 P280 R283	F160-E205 WeakPolarHBondContact CE2-O 3.21Å; E205-L207 PolarHBondContact O-N 3.11Å; E205-H260 IonicContact OE1-CD2 3.29Å; E205-H260 PolarHBondContact OE1-CD2 3.03Å; E205-H260 IonicContact OE1-CE1 3.42Å; E205-H260 IonicContact OE1-CG 3.44Å; E205-H260 IonicContact OE1-NE2 3.45Å; E205-H260 PolarHBondContact OE1-NE2 3.31Å; E205-I278 HydrophobicContact CG-CG2 3.53Å; E205-I278 WeakPolarHBondContact OE1-CG2 3.4Å; E205-Q279 PolarHBondContact N-O 3.13Å; E205-P280 HydrophobicContact CG-CB 4.19Å; E205-P280 WeakPolarHBondContact OE2-CB 3.29Å; E205-R283 WeakPolarHBondContact OE2-CB 3.07Å; E205-R283 WeakPolarHBondContact OE2-CD 3.4Å
206	P	93.4	Very high	92.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-61.4	136.6	171	26.5	-32.4	0	0	0	109.7	Y255 Q256	P206-Y255 HydrophobicContact CG-CD2 4.4Å; P206-Q256 HydrophobicContact CG-CG 4.14Å; P206-Q256 PolarHBondContact O-NE2 3.47Å
207	L	90.8	Very high	92	Very high	44 Å²	44	22.4 Å²	22.4	23%	0.23	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-59.8	155.9	177.4	67.9	157.3	0	0	0	112.2	F160 E205 I209 N252 L282 I285	F160-L207 HydrophobicContact CZ-CD2 4.11Å; E205-L207 PolarHBondContact O-N 3.11Å; L207-I209 PolarHBondContact O-N 3.49Å; L207-N252 PolarHBondContact O-ND2 3.42Å; L207-N252 VanDerWaalsContact O-ND2 3.09Å; L207-N252 PolarHBondContact O-OD1 3.11Å; L207-L282 WeakPolarHBondContact CA-O 3.25Å; L207-L282 HydrophobicContact CB-CB 4.05Å; L207-I285 HydrophobicContact CB-CG2 4.28Å
208	Y	90.3	Very high	91.3	Very high	50 Å²	50	23 Å²	23	20%	0.196	11%	0.109	C	C	.	.			trans	-71.8	109	163.2	-173	-123.4	0	0	0	109	T210 P211 E249 N252 L282 R283	Y208-T210 WeakPolarHBondContact CE1-OG1 3.46Å; Y208-T210 PolarHBondContact OH-OG1 3.22Å; Y208-T210 VanDerWaalsContact OH-OG1 3.09Å; Y208-P211 HydrophobicContact CD1-CG 3.69Å; Y208-P211 HydrophobicContact CE1-CG 4.05Å; Y208-P211 WeakPolarHBondContact O-CD 3.35Å; Y208-E249 HydrophobicContact CE2-CG 4.34Å; Y208-E249 PolarHBondContact OH-OE1 3.14Å; Y208-N252 WeakPolarHBondContact CA-OD1 3.49Å; Y208-L282 PolarHBondContact N-O 2.96Å; Y208-R283 WeakPolarHBondContact CB-O 3.43Å
209	I	88.7	Confident	90.6	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	14%	0.135	C	C	.	.			trans	-88.8	-20.2	-163.4	-159.5	166.3	0	0	0	114.1	L166 L207 L212 V235 N252	L166-I209 HydrophobicContact CB-CD1 4.3Å; L166-I209 HydrophobicContact CB-CG2 4.24Å; L166-I209 HydrophobicContact CD1-CB 4.37Å; L166-I209 HydrophobicContact CD1-CG2 4.02Å; L207-I209 PolarHBondContact O-N 3.49Å; I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 3.09Å; I209-L212 VanDerWaalsContact O-N 3.15Å; I209-V235 HydrophobicContact CD1-CG2 4.03Å; I209-V235 HydrophobicContact CG1-CG2 4.05Å; I209-V235 HydrophobicContact CG2-CG2 3.7Å; I209-N252 PolarHBondContact N-OD1 2.95Å
210	T	88.1	Confident	89.8	Confident	14 Å²	14	27.6 Å²	27.6	9%	0.086	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.2	-174.3	62.1	0	0	0	0	116.2	Y208 L212 R213 L245 E249	Y208-T210 WeakPolarHBondContact CE1-OG1 3.46Å; Y208-T210 PolarHBondContact OH-OG1 3.22Å; Y208-T210 VanDerWaalsContact OH-OG1 3.09Å; T210-L212 PolarHBondContact O-N 2.96Å; T210-L212 VanDerWaalsContact O-N 3.09Å; T210-R213 WeakPolarHBondContact O-CB 3.48Å; T210-R213 WeakPolarHBondContact O-CG 3.48Å; T210-R213 PolarHBondContact O-N 2.93Å; T210-R213 VanDerWaalsContact O-N 3.09Å; T210-L245 HydrophobicContact CG2-CD1 4.15Å; T210-E249 HydrophobicContact CG2-CG 3.49Å; T210-E249 VanDerWaalsContact CG2-CG 3.49Å
211	P	88.9	Confident	89.1	Confident	21 Å²	21	28.2 Å²	28.2	14%	0.136	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.3	172.5	-26.2	36.4	0	0	0	114	Y208 R213 E214 L287	Y208-P211 HydrophobicContact CD1-CG 3.69Å; Y208-P211 HydrophobicContact CE1-CG 4.05Å; Y208-P211 WeakPolarHBondContact O-CD 3.35Å; P211-R213 PolarHBondContact O-N 3.42Å; P211-R213 VanDerWaalsContact O-N 3.14Å; P211-E214 WeakPolarHBondContact O-CB 3.38Å; P211-E214 PolarHBondContact O-N 3.29Å; P211-E214 VanDerWaalsContact O-N 3.15Å; P211-L287 HydrophobicContact CB-CB 4.2Å
212	L	87	Confident	88.3	Confident	18 Å²	18	34.5 Å²	34.5	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-55.1	-30.9	174.4	178.6	62.8	0	0	0	112.6	I209 T210 E214 M215 H216 V235 F305	I209-L212 WeakPolarHBondContact O-CB 3.46Å; I209-L212 PolarHBondContact O-N 3.09Å; I209-L212 VanDerWaalsContact O-N 3.15Å; T210-L212 PolarHBondContact O-N 2.96Å; T210-L212 VanDerWaalsContact O-N 3.09Å; L212-E214 PolarHBondContact O-N 3.39Å; L212-M215 HydrophobicContact CD1-CE 3.65Å; L212-M215 WeakPolarHBondContact O-CB 3.49Å; L212-M215 PolarHBondContact O-N 3.02Å; L212-H216 PolarHBondContact O-CD2 2.83Å; L212-V235 HydrophobicContact CB-CG1 4.4Å; L212-V235 HydrophobicContact CD2-CG1 4.44Å; L212-F305 HydrophobicContact CD1-CD2 4.3Å; L212-F305 HydrophobicContact CD2-CD2 3.58Å; L212-F305 HydrophobicContact CD2-CE2 3.66Å
213	R	88.4	Confident	87.8	Confident	25 Å²	25	35.3 Å²	35.3	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-36.8	-179.8	-63.5	177.1	75.3	-146.4	8.5	112.4	T210 P211 M215 H216 M217 V235 P238 E239	T210-R213 WeakPolarHBondContact O-CB 3.48Å; T210-R213 WeakPolarHBondContact O-CG 3.48Å; T210-R213 PolarHBondContact O-N 2.93Å; T210-R213 VanDerWaalsContact O-N 3.09Å; P211-R213 PolarHBondContact O-N 3.42Å; P211-R213 VanDerWaalsContact O-N 3.14Å; R213-M215 PolarHBondContact O-N 2.91Å; R213-H216 PolarHBondContact O-N 3.43Å; R213-M217 HydrophobicContact CB-CE 4.31Å; R213-M217 WeakPolarHBondContact O-CG 3.48Å; R213-M217 PolarHBondContact O-N 3.11Å; R213-V235 WeakPolarHBondContact CD-O 3.46Å; R213-V235 HydrophobicContact CG-CG1 3.66Å; R213-V235 WeakPolarHBondContact CG-O 3.35Å; R213-V235 PolarHBondContact NE-O 3.24Å; R213-V235 VanDerWaalsContact NE-O 3.08Å; R213-P238 PolarHBondContact NH2-O 2.85Å; R213-E239 VanDerWaalsContact NH2-C 3.32Å; R213-E239 PolarHBondContact NH2-O 2.89Å
214	E	87.5	Confident	87.2	Confident	77 Å²	77	35.7 Å²	35.7	36%	0.36	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-34.7	-179.4	-61.1	-172.6	-139.2	0	0	112	P211 L212 D218 L287 R289 P295	P211-E214 WeakPolarHBondContact O-CB 3.38Å; P211-E214 PolarHBondContact O-N 3.29Å; P211-E214 VanDerWaalsContact O-N 3.15Å; L212-E214 PolarHBondContact O-N 3.39Å; E214-D218 PolarHBondContact O-N 3.35Å; E214-L287 HydrophobicContact CB-CD2 3.79Å; E214-R289 VanDerWaalsContact CD-NH2 3.35Å; E214-R289 IonicContact OE1-NH2 3.74Å; E214-R289 PolarHBondContact OE1-NH2 2.87Å; E214-R289 IonicContact OE2-CZ 3.39Å; E214-R289 VanDerWaalsContact OE2-CZ 3.26Å; E214-R289 IonicContact OE2-NH1 3.12Å; E214-R289 PolarHBondContact OE2-NH1 3.34Å; E214-R289 IonicContact OE2-NH2 3.67Å; E214-R289 PolarHBondContact OE2-NH2 2.87Å; E214-P295 HydrophobicContact CB-CG 4.45Å
215	M	84.8	Confident	86.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-38.6	175.2	-69	-147	-59.5	0	0	113.1	L212 R213 L287 P295 F300 C304	L212-M215 HydrophobicContact CD1-CE 3.65Å; L212-M215 WeakPolarHBondContact O-CB 3.49Å; L212-M215 PolarHBondContact O-N 3.02Å; R213-M215 PolarHBondContact O-N 2.91Å; M215-L287 HydrophobicContact CG-CD1 3.84Å; M215-L287 HydrophobicContact CG-CD2 3.71Å; M215-L287 HydrophobicContact CG-CG 4.31Å; M215-L287 HydrophobicContact SD-CD1 4.14Å; M215-P295 HydrophobicContact CG-CB 3.84Å; M215-P295 HydrophobicContact CG-CG 4.32Å; M215-F300 HydrophobicContact CE-CB 4.41Å; M215-F300 HydrophobicContact CE-CD1 3.41Å; M215-F300 VanDerWaalsContact CE-CD1 3.41Å; M215-F300 HydrophobicContact CE-CD2 3.65Å; M215-F300 HydrophobicContact CE-CE1 3.38Å; M215-F300 HydrophobicContact CE-CE2 3.65Å; M215-F300 HydrophobicContact CE-CG 3.54Å; M215-F300 HydrophobicContact CE-CZ 3.5Å; M215-F300 HydrophobicContact SD-CD1 4.22Å; M215-F300 HydrophobicContact SD-CD2 3.28Å; M215-F300 WeakPolarHBondContact SD-CD2 3.48Å; M215-F300 HydrophobicContact SD-CE1 4.15Å; M215-F300 HydrophobicContact SD-CE2 3.21Å; M215-F300 WeakPolarHBondContact SD-CE2 3.45Å; M215-F300 HydrophobicContact SD-CG 3.81Å; M215-F300 HydrophobicContact SD-CZ 3.67Å; M215-C304 HydrophobicContact CE-CB 4.21Å; M215-C304 WeakPolarHBondContact CE-O 3.48Å
216	H	82.8	Confident	86.2	Confident	21 Å²	21	46.8 Å²	46.8	10%	0.097	25%	0.25	C	C	.	.	H	α-helix	trans	-81.3	-21.8	-177	-72.6	-64.7	0	0	0	113.4	L212 R213 V228 V236 C304	L212-H216 PolarHBondContact O-CD2 2.83Å; R213-H216 PolarHBondContact O-N 3.43Å; H216-V228 VanDerWaalsContact CE1-CB 3.46Å; H216-V228 WeakPolarHBondContact CE1-CB 3.28Å; H216-V228 WeakPolarHBondContact CE1-CG2 3.36Å; H216-V228 WeakPolarHBondContact NE2-CG1 3.36Å; H216-V236 HydrophobicContact CB-CG1 4.38Å; H216-C304 PolarHBondContact NE2-O 3.22Å
217	M	81.2	Confident	85.8	Confident	106 Å²	106	48 Å²	48	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-81.2	-20.5	173.8	-68.5	178.7	178.7	0	0	112.7	R213 A219 P240	R213-M217 HydrophobicContact CB-CE 4.31Å; R213-M217 WeakPolarHBondContact O-CG 3.48Å; R213-M217 PolarHBondContact O-N 3.11Å; M217-A219 PolarHBondContact O-N 2.97Å; M217-P240 HydrophobicContact CE-CG 4.13Å
218	D	84.1	Confident	85.5	Confident	39 Å²	39	46 Å²	46	21%	0.209	25%	0.245	C	C	.	.			trans	-83.9	96	176.3	-168.1	-24.4	0	0	0	111.6	E214 S220 L221	E214-D218 PolarHBondContact O-N 3.35Å; D218-S220 PolarHBondContact O-N 2.8Å; D218-S220 WeakPolarHBondContact OD1-CA 3.42Å; D218-S220 WeakPolarHBondContact OD1-CB 3.28Å; D218-S220 PolarHBondContact OD1-N 3.36Å; D218-S220 PolarHBondContact OD1-OG 2.8Å; D218-S220 PolarHBondContact OD2-OG 3.09Å; D218-L221 HydrophobicContact CB-CD1 3.96Å; D218-L221 HydrophobicContact CB-CG 4.09Å; D218-L221 PolarHBondContact O-N 3.38Å; D218-L221 VanDerWaalsContact O-N 3.16Å
219	A	81.6	Confident	85.3	Confident	91 Å²	91	46.2 Å²	46.2	75%	0.752	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-58.4	-19.5	178	0	0	0	0	0	114	M217 L221	M217-A219 PolarHBondContact O-N 2.97Å; A219-L221 PolarHBondContact O-N 3.36Å
220	S	82.8	Confident	85.3	Confident	62 Å²	62	52.6 Å²	52.6	43%	0.434	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-72.5	-17	179.8	77.2	0	0	0	0	113.6	D218 R294	D218-S220 PolarHBondContact O-N 2.8Å; D218-S220 WeakPolarHBondContact OD1-CA 3.42Å; D218-S220 WeakPolarHBondContact OD1-CB 3.28Å; D218-S220 PolarHBondContact OD1-N 3.36Å; D218-S220 PolarHBondContact OD1-OG 2.8Å; D218-S220 PolarHBondContact OD2-OG 3.09Å; S220-R294 PolarHBondContact OG-NH1 2.91Å; S220-R294 VanDerWaalsContact OG-NH1 3.07Å
221	L	83.4	Confident	85.3	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.068	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-84	-10.4	-176.7	-60.5	179.3	0	0	0	113.7	D218 A219 C223 P295 R297	D218-L221 HydrophobicContact CB-CD1 3.96Å; D218-L221 HydrophobicContact CB-CG 4.09Å; D218-L221 PolarHBondContact O-N 3.38Å; D218-L221 VanDerWaalsContact O-N 3.16Å; A219-L221 PolarHBondContact O-N 3.36Å; L221-C223 PolarHBondContact O-N 3.02Å; L221-P295 HydrophobicContact CD1-CB 3.88Å; L221-P295 HydrophobicContact CD1-CG 4.15Å; L221-R297 HydrophobicContact CD2-CB 4.33Å; L221-R297 WeakPolarHBondContact O-CD 3.46Å; L221-R297 PolarHBondContact O-NH1 2.85Å
222	N	83.4	Confident	85.5	Confident	132 Å²	132	54.4 Å²	54.4	71%	0.706	29%	0.289	S	S	*	.			trans	50.9	40.4	-177.5	-69.9	-28.1	0	0	0	113.2
223	C	86.6	Confident	85.7	Confident	16 Å²	16	54 Å²	54	11%	0.108	29%	0.288	C	S	.	.			trans	-72.6	144.5	176.7	-65.8	0	0	0	0	110.9	L221 T225 C304	L221-C223 PolarHBondContact O-N 3.02Å; C223-T225 PolarHBondContact O-N 3.12Å; C223-T225 PolarHBondContact O-OG1 2.93Å; C223-C304 WeakPolarHBondContact CA-SG 3.41Å; C223-C304 HydrophobicContact CB-CB 3.53Å; C223-C304 WeakPolarHBondContact CB-SG 3.46Å; C223-C304 WeakPolarHBondContact SG-CB 3.27Å; C223-C304 CovalentContact SG-SG 2.04Å; C223-C304 PolarHBondContact SG-SG 3.25Å
224	P	87.1	Confident	85.8	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.078	29%	0.285	C	S	.	.			trans	-75.1	77.2	178.1	30.8	-33.1	0	0	0	110.4	I65 W226 L227 V228 D303	I65-P224 HydrophobicContact CD1-CB 4.03Å; I65-P224 HydrophobicContact CD1-CG 4.21Å; P224-W226 PolarHBondContact O-N 3.37Å; P224-W226 VanDerWaalsContact O-N 3.14Å; P224-L227 HydrophobicContact CB-CB 4.16Å; P224-L227 HydrophobicContact CG-CB 4.36Å; P224-L227 HydrophobicContact CG-CD2 4.35Å; P224-L227 WeakPolarHBondContact O-CB 3.31Å; P224-L227 PolarHBondContact O-N 3.2Å; P224-V228 PolarHBondContact O-N 3.32Å; P224-D303 WeakPolarHBondContact CD-O 3.18Å; P224-D303 HydrophobicContact CG-CB 4.36Å
225	T	83.1	Confident	86	Confident	61 Å²	61	49.5 Å²	49.5	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-55.5	-35.7	-174.1	-45.7	0	0	0	0	112.8	C223 L227 V228 N229	C223-T225 PolarHBondContact O-N 3.12Å; C223-T225 PolarHBondContact O-OG1 2.93Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 2.64Å; T225-V228 PolarHBondContact O-N 2.98Å; T225-N229 WeakPolarHBondContact O-CB 3.49Å; T225-N229 PolarHBondContact O-N 2.54Å; T225-N229 PolarHBondContact O-OD1 2.69Å
226	W	85.6	Confident	86.2	Confident	174 Å²	174	50.3 Å²	50.3	66%	0.659	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-35.8	175.9	71.7	-91.6	0	0	0	113.1	P224 M230	P224-W226 PolarHBondContact O-N 3.37Å; P224-W226 VanDerWaalsContact O-N 3.14Å; W226-M230 PolarHBondContact O-N 2.86Å
227	L	85.2	Confident	86.4	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-73.7	-44	-178.7	179.1	60.5	0	0	0	110.2	I65 P224 T225 M230 L231 D303	I65-L227 HydrophobicContact CG2-CD2 4.03Å; P224-L227 HydrophobicContact CB-CB 4.16Å; P224-L227 HydrophobicContact CG-CB 4.36Å; P224-L227 HydrophobicContact CG-CD2 4.35Å; P224-L227 WeakPolarHBondContact O-CB 3.31Å; P224-L227 PolarHBondContact O-N 3.2Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 2.64Å; L227-M230 WeakPolarHBondContact O-CB 3.49Å; L227-M230 PolarHBondContact O-N 3.39Å; L227-M230 VanDerWaalsContact O-N 3.15Å; L227-L231 HydrophobicContact CD1-CD1 4.02Å; L227-L231 HydrophobicContact CD1-CG 4.23Å; L227-L231 HydrophobicContact CG-CD1 3.94Å; L227-L231 HydrophobicContact CG-CG 4.48Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.78Å; L227-D303 HydrophobicContact CD2-CB 3.85Å
228	V	84.9	Confident	86.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-74.7	-30.2	179.7	-173.8	0	0	0	0	112.2	H216 P224 T225 M230 L231 C232 V236 F305	H216-V228 VanDerWaalsContact CE1-CB 3.46Å; H216-V228 WeakPolarHBondContact CE1-CB 3.28Å; H216-V228 WeakPolarHBondContact CE1-CG2 3.36Å; H216-V228 WeakPolarHBondContact NE2-CG1 3.36Å; P224-V228 PolarHBondContact O-N 3.32Å; T225-V228 PolarHBondContact O-N 2.98Å; V228-M230 PolarHBondContact O-N 3.03Å; V228-L231 PolarHBondContact O-N 3.3Å; V228-C232 HydrophobicContact CG1-CB 4.24Å; V228-C232 CarbonylContact O-C 3.47Å; V228-C232 WeakPolarHBondContact O-CA 3.28Å; V228-C232 PolarHBondContact O-N 2.77Å; V228-V236 HydrophobicContact CG1-CG1 3.97Å; V228-V236 HydrophobicContact CG1-CG2 4.36Å; V228-F305 HydrophobicContact CG1-CD2 4.11Å; V228-F305 HydrophobicContact CG2-CB 3.87Å
229	N	87	Confident	86.7	Confident	56 Å²	56	56 Å²	56	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-33.4	168.1	-71	1.3	0	0	0	111.7	T225 P233 V236 M237	T225-N229 WeakPolarHBondContact O-CB 3.49Å; T225-N229 PolarHBondContact O-N 2.54Å; T225-N229 PolarHBondContact O-OD1 2.69Å; N229-P233 WeakPolarHBondContact O-CA 3.44Å; N229-P233 VanDerWaalsContact O-CB 3.3Å; N229-P233 WeakPolarHBondContact O-CB 3.36Å; N229-P233 WeakPolarHBondContact O-CD 3.42Å; N229-V236 VanDerWaalsContact OD1-CG2 3.22Å; N229-V236 WeakPolarHBondContact OD1-CG2 3.06Å; N229-M237 HydrophobicContact CB-CG 4.45Å; N229-M237 HydrophobicContact CB-SD 4.41Å
230	M	87.4	Confident	86.4	Confident	140 Å²	140	55 Å²	55	69%	0.69	29%	0.287	S	S	*	.	H	α-helix	trans	-78	-40.3	175.5	-175.7	-174.7	176.7	0	0	112.4	W226 L227 V228	W226-M230 PolarHBondContact O-N 2.86Å; L227-M230 WeakPolarHBondContact O-CB 3.49Å; L227-M230 PolarHBondContact O-N 3.39Å; L227-M230 VanDerWaalsContact O-N 3.15Å; V228-M230 PolarHBondContact O-N 3.03Å
231	L	88	Confident	86	Confident	72 Å²	72	58.6 Å²	58.6	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-81.7	-32	-175	-67.2	176	0	0	0	113.6	L227 V228 F305	L227-L231 HydrophobicContact CD1-CD1 4.02Å; L227-L231 HydrophobicContact CD1-CG 4.23Å; L227-L231 HydrophobicContact CG-CD1 3.94Å; L227-L231 HydrophobicContact CG-CG 4.48Å; L227-L231 WeakPolarHBondContact O-CG 3.34Å; L227-L231 PolarHBondContact O-N 2.78Å; V228-L231 PolarHBondContact O-N 3.3Å; L231-F305 HydrophobicContact CD1-CD1 4.29Å
232	C	92.9	Very high	85.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.			trans	-140.7	51.7	-174.9	-155.1	0	0	0	0	113.4	C167 V228 C234 V235 V236 F305	C167-C232 WeakPolarHBondContact CA-SG 3.28Å; C167-C232 HydrophobicContact CB-CB 3.74Å; C167-C232 WeakPolarHBondContact CB-SG 3.43Å; C167-C232 WeakPolarHBondContact SG-CB 2.94Å; C167-C232 CovalentContact SG-SG 2.04Å; C167-C232 PolarHBondContact SG-SG 3.4Å; V228-C232 HydrophobicContact CG1-CB 4.24Å; V228-C232 CarbonylContact O-C 3.47Å; V228-C232 WeakPolarHBondContact O-CA 3.28Å; V228-C232 PolarHBondContact O-N 2.77Å; C232-C234 VanDerWaalsContact C-N 3.25Å; C232-C234 PolarHBondContact O-N 2.93Å; C232-V235 PolarHBondContact O-N 3.16Å; C232-V235 VanDerWaalsContact O-N 3.13Å; C232-V235 WeakPolarHBondContact SG-CG2 3.45Å; C232-V236 WeakPolarHBondContact O-CG2 3.46Å; C232-V236 PolarHBondContact O-N 3.43Å; C232-F305 HydrophobicContact CB-CE2 3.96Å; C232-F305 HydrophobicContact CB-CZ 4.43Å
233	P	91.3	Very high	85.4	Confident	11 Å²	11	57 Å²	57	7%	0.071	29%	0.292	C	S	.	.	H	α-helix	trans	-54.5	-40.4	-173.3	18.5	-30.2	0	0	0	112.9	C167 E171 N229 V235 V236 M237 P238	C167-P233 WeakPolarHBondContact O-CD 3.42Å; E171-P233 WeakPolarHBondContact OE1-CG 3.42Å; N229-P233 WeakPolarHBondContact O-CA 3.44Å; N229-P233 VanDerWaalsContact O-CB 3.3Å; N229-P233 WeakPolarHBondContact O-CB 3.36Å; N229-P233 WeakPolarHBondContact O-CD 3.42Å; P233-V235 PolarHBondContact O-N 3.21Å; P233-V236 PolarHBondContact O-N 3.25Å; P233-M237 HydrophobicContact CB-CE 3.6Å; P233-M237 HydrophobicContact CB-CG 4.36Å; P233-M237 HydrophobicContact CB-SD 4.28Å; P233-M237 VanDerWaalsContact O-CB 3.28Å; P233-M237 WeakPolarHBondContact O-CB 3.39Å; P233-M237 WeakPolarHBondContact O-CG 3.23Å; P233-M237 PolarHBondContact O-N 3.34Å; P233-P238 WeakPolarHBondContact O-CD 3.44Å
234	C	90.8	Very high	85	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-21.8	-174.3	-52.6	0	0	0	0	113.6	C167 C170 C232 P238 L248	C167-C234 WeakPolarHBondContact O-CB 3.31Å; C167-C234 PolarHBondContact O-N 2.91Å; C167-C234 PolarHBondContact O-SG 3.4Å; C170-C234 VanDerWaalsContact CA-SG 3.53Å; C170-C234 HydrophobicContact CB-CB 3.8Å; C170-C234 WeakPolarHBondContact CB-SG 3.2Å; C170-C234 PolarHBondContact N-SG 3.03Å; C170-C234 WeakPolarHBondContact SG-CA 3.18Å; C170-C234 WeakPolarHBondContact SG-CB 3.46Å; C170-C234 CovalentContact SG-SG 2.03Å; C170-C234 PolarHBondContact SG-SG 3.31Å; C232-C234 VanDerWaalsContact C-N 3.25Å; C232-C234 PolarHBondContact O-N 2.93Å; C234-P238 WeakPolarHBondContact O-CD 3.31Å; C234-P238 VanDerWaalsContact O-CG 3.25Å; C234-P238 WeakPolarHBondContact O-CG 3.29Å; C234-L248 WeakPolarHBondContact O-CD2 3.41Å
235	V	91.3	Very high	84.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-89.4	-48.8	176.9	176.1	0	0	0	0	110.7	I209 L212 R213 C232 P233 L248	I209-V235 HydrophobicContact CD1-CG2 4.03Å; I209-V235 HydrophobicContact CG1-CG2 4.05Å; I209-V235 HydrophobicContact CG2-CG2 3.7Å; L212-V235 HydrophobicContact CB-CG1 4.4Å; L212-V235 HydrophobicContact CD2-CG1 4.44Å; R213-V235 WeakPolarHBondContact CD-O 3.46Å; R213-V235 HydrophobicContact CG-CG1 3.66Å; R213-V235 WeakPolarHBondContact CG-O 3.35Å; R213-V235 PolarHBondContact NE-O 3.24Å; R213-V235 VanDerWaalsContact NE-O 3.08Å; C232-V235 PolarHBondContact O-N 3.16Å; C232-V235 VanDerWaalsContact O-N 3.13Å; C232-V235 WeakPolarHBondContact SG-CG2 3.45Å; P233-V235 PolarHBondContact O-N 3.21Å; V235-L248 HydrophobicContact CB-CD2 4.29Å; V235-L248 HydrophobicContact CG2-CD2 3.6Å
236	V	89.4	Confident	84.7	Confident	18 Å²	18	58.9 Å²	58.9	11%	0.109	30%	0.304	C	S	.	.	H	α-helix	trans	-93.4	-24.6	-166	-59.6	0	0	0	0	114.7	H216 V228 N229 C232 P233	H216-V236 HydrophobicContact CB-CG1 4.38Å; V228-V236 HydrophobicContact CG1-CG1 3.97Å; V228-V236 HydrophobicContact CG1-CG2 4.36Å; N229-V236 VanDerWaalsContact OD1-CG2 3.22Å; N229-V236 WeakPolarHBondContact OD1-CG2 3.06Å; C232-V236 WeakPolarHBondContact O-CG2 3.46Å; C232-V236 PolarHBondContact O-N 3.43Å; P233-V236 PolarHBondContact O-N 3.25Å
237	M	87.2	Confident	84.5	Confident	117 Å²	117	52.7 Å²	52.7	58%	0.576	28%	0.283	S	S	*	.	S	Bend	trans	-83.9	-31.5	-177.2	-60.4	-157	-50.3	0	0	116	N229 P233	N229-M237 HydrophobicContact CB-CG 4.45Å; N229-M237 HydrophobicContact CB-SD 4.41Å; P233-M237 HydrophobicContact CB-CE 3.6Å; P233-M237 HydrophobicContact CB-CG 4.36Å; P233-M237 HydrophobicContact CB-SD 4.28Å; P233-M237 VanDerWaalsContact O-CB 3.28Å; P233-M237 WeakPolarHBondContact O-CB 3.39Å; P233-M237 WeakPolarHBondContact O-CG 3.23Å; P233-M237 PolarHBondContact O-N 3.34Å
238	P	87.8	Confident	84.6	Confident	25 Å²	25	51.5 Å²	51.5	16%	0.162	28%	0.277	C	S	.	.	S	Bend	trans	-59.9	146.7	177.9	-25.2	34.4	0	0	0	112.3	R213 P233 C234 S242 A244 L245	R213-P238 PolarHBondContact NH2-O 2.85Å; P233-P238 WeakPolarHBondContact O-CD 3.44Å; C234-P238 WeakPolarHBondContact O-CD 3.31Å; C234-P238 VanDerWaalsContact O-CG 3.25Å; C234-P238 WeakPolarHBondContact O-CG 3.29Å; P238-S242 VanDerWaalsContact CB-OG 3.32Å; P238-S242 WeakPolarHBondContact CB-OG 3.49Å; P238-A244 HydrophobicContact CB-CB 4.23Å; P238-A244 HydrophobicContact CG-CB 4.3Å; P238-L245 HydrophobicContact CB-CB 4.49Å
239	E	83.6	Confident	84.7	Confident	143 Å²	143	54.2 Å²	54.2	67%	0.668	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-62	151.5	174	-71.6	-67.8	168.2	0	0	111.3	R213 N241 S242	R213-E239 VanDerWaalsContact NH2-C 3.32Å; R213-E239 PolarHBondContact NH2-O 2.89Å; E239-N241 PolarHBondContact O-N 3.27Å; E239-S242 VanDerWaalsContact O-CB 3.24Å; E239-S242 WeakPolarHBondContact O-CB 3.44Å; E239-S242 PolarHBondContact O-N 3.02Å; E239-S242 VanDerWaalsContact O-N 3.16Å; E239-S242 PolarHBondContact O-OG 2.99Å
240	P	76.8	Confident	84.5	Confident	70 Å²	70	53 Å²	53	46%	0.455	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	137	171.1	-24.1	34.5	0	0	0	111.6	M217 S242	M217-P240 HydrophobicContact CE-CG 4.13Å; P240-S242 PolarHBondContact O-N 3.14Å
241	N	73.1	Confident	84.5	Confident	138 Å²	138	46.6 Å²	46.6	74%	0.738	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	11.2	-177.9	-52.7	-35.2	0	0	0	116.1	E239 Q246	E239-N241 PolarHBondContact O-N 3.27Å; N241-Q246 PolarHBondContact O-NE2 2.88Å; N241-Q246 VanDerWaalsContact O-NE2 3.12Å
242	S	80.4	Confident	84.7	Confident	30 Å²	30	43.1 Å²	43.1	21%	0.21	24%	0.235	C	C	.	.			trans	-63.5	153.3	175.5	60.3	0	0	0	0	112.4	P238 E239 P240 A244 L245 Q246	P238-S242 VanDerWaalsContact CB-OG 3.32Å; P238-S242 WeakPolarHBondContact CB-OG 3.49Å; E239-S242 VanDerWaalsContact O-CB 3.24Å; E239-S242 WeakPolarHBondContact O-CB 3.44Å; E239-S242 PolarHBondContact O-N 3.02Å; E239-S242 VanDerWaalsContact O-N 3.16Å; E239-S242 PolarHBondContact O-OG 2.99Å; P240-S242 PolarHBondContact O-N 3.14Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 3.41Å; S242-L245 WeakPolarHBondContact O-CB 3.49Å; S242-L245 PolarHBondContact O-N 3.34Å; S242-L245 VanDerWaalsContact O-N 3.14Å; S242-Q246 PolarHBondContact O-N 3.01Å
243	E	73.5	Confident	84.6	Confident	81 Å²	81	46.5 Å²	46.5	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-56.6	-41.5	175	178.1	170.7	-141.3	0	0	112.4	L245 Q246 I247 W586 I590	E243-L245 PolarHBondContact O-N 2.68Å; E243-Q246 PolarHBondContact O-N 2.92Å; E243-Q246 VanDerWaalsContact O-N 3.1Å; E243-I247 HydrophobicContact CG-CD1 3.97Å; E243-I247 HydrophobicContact CG-CG1 4.5Å; E243-I247 WeakPolarHBondContact O-CG1 3.07Å; E243-I247 PolarHBondContact O-N 2.59Å; E243-W586 HydrophobicContact CG-CB 4.43Å; E243-W586 HydrophobicContact CG-CD2 4.47Å; E243-W586 HydrophobicContact CG-CE3 3.81Å; E243-I590 WeakPolarHBondContact OE1-CD1 3.38Å; E243-I590 VanDerWaalsContact OE1-CG1 3.27Å; E243-I590 WeakPolarHBondContact OE1-CG1 3.29Å
244	A	78.8	Confident	84.3	Confident	56 Å²	56	46 Å²	46	46%	0.463	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-38	177.3	0	0	0	0	0	112.6	P238 S242 L248	P238-A244 HydrophobicContact CB-CB 4.23Å; P238-A244 HydrophobicContact CG-CB 4.3Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 3.41Å; A244-L248 PolarHBondContact O-N 3.42Å; A244-L248 VanDerWaalsContact O-N 3.14Å
245	L	83.4	Confident	84.4	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-42.5	176.4	-174.1	78.7	0	0	0	112	T210 P238 S242 E243 I247 L248 E249	T210-L245 HydrophobicContact CG2-CD1 4.15Å; P238-L245 HydrophobicContact CB-CB 4.49Å; S242-L245 WeakPolarHBondContact O-CB 3.49Å; S242-L245 PolarHBondContact O-N 3.34Å; S242-L245 VanDerWaalsContact O-N 3.14Å; E243-L245 PolarHBondContact O-N 2.68Å; L245-I247 VanDerWaalsContact C-N 3.29Å; L245-I247 PolarHBondContact O-N 3.2Å; L245-L248 WeakPolarHBondContact O-CB 3.43Å; L245-L248 PolarHBondContact O-N 3.46Å; L245-L248 VanDerWaalsContact O-N 3.11Å; L245-E249 WeakPolarHBondContact O-CG 3.24Å; L245-E249 PolarHBondContact O-N 3.27Å
246	Q	80.8	Confident	84.4	Confident	65 Å²	65	45.7 Å²	45.7	30%	0.304	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-36.7	179.2	-64.9	-179.7	48.2	0	0	111.5	N241 S242 E243 T250	N241-Q246 PolarHBondContact O-NE2 2.88Å; N241-Q246 VanDerWaalsContact O-NE2 3.12Å; S242-Q246 PolarHBondContact O-N 3.01Å; E243-Q246 PolarHBondContact O-N 2.92Å; E243-Q246 VanDerWaalsContact O-N 3.1Å; Q246-T250 WeakPolarHBondContact O-CB 3.46Å; Q246-T250 PolarHBondContact O-N 3.19Å; Q246-T250 PolarHBondContact O-OG1 3.2Å
247	I	80.6	Confident	84.4	Confident	45 Å²	45	47.8 Å²	47.8	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-48.3	170.6	-69	166.5	0	0	0	110.2	Y169 E243 L245 E249 T250 V251 W586	Y169-I247 HydrophobicContact CE1-CG2 3.6Å; E243-I247 HydrophobicContact CG-CD1 3.97Å; E243-I247 HydrophobicContact CG-CG1 4.5Å; E243-I247 WeakPolarHBondContact O-CG1 3.07Å; E243-I247 PolarHBondContact O-N 2.59Å; L245-I247 VanDerWaalsContact C-N 3.29Å; L245-I247 PolarHBondContact O-N 3.2Å; I247-E249 PolarHBondContact O-N 3.02Å; I247-T250 WeakPolarHBondContact O-CB 3.33Å; I247-T250 PolarHBondContact O-N 2.96Å; I247-T250 VanDerWaalsContact O-N 3.17Å; I247-V251 HydrophobicContact CG2-CG2 4.36Å; I247-V251 VanDerWaalsContact O-CG2 3.31Å; I247-V251 WeakPolarHBondContact O-CG2 3.38Å; I247-V251 PolarHBondContact O-N 3.21Å; I247-W586 HydrophobicContact CB-CH2 4.46Å; I247-W586 HydrophobicContact CD1-CZ3 3.89Å; I247-W586 HydrophobicContact CG1-CE3 4.07Å; I247-W586 HydrophobicContact CG1-CH2 3.49Å; I247-W586 VanDerWaalsContact CG1-CH2 3.49Å; I247-W586 HydrophobicContact CG1-CZ2 4.44Å; I247-W586 HydrophobicContact CG1-CZ3 3.27Å
248	L	87.4	Confident	84.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-42.8	-179.2	-176.2	66.6	0	0	0	112.4	L166 C234 V235 A244 L245 T250 V251 N252	L166-L248 HydrophobicContact CB-CD1 4.23Å; L166-L248 HydrophobicContact CD2-CD1 4.02Å; L166-L248 WeakPolarHBondContact O-CD1 3.45Å; C234-L248 WeakPolarHBondContact O-CD2 3.41Å; V235-L248 HydrophobicContact CB-CD2 4.29Å; V235-L248 HydrophobicContact CG2-CD2 3.6Å; A244-L248 PolarHBondContact O-N 3.42Å; A244-L248 VanDerWaalsContact O-N 3.14Å; L245-L248 WeakPolarHBondContact O-CB 3.43Å; L245-L248 PolarHBondContact O-N 3.46Å; L245-L248 VanDerWaalsContact O-N 3.11Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 3.13Å; L248-V251 PolarHBondContact O-N 3.2Å; L248-N252 WeakPolarHBondContact O-CB 3.29Å; L248-N252 PolarHBondContact O-N 3.31Å
249	E	88.2	Confident	84.4	Confident	56 Å²	56	42.2 Å²	42.2	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-43.5	174.3	-72.3	177.8	173.1	0	0	111.2	Y208 T210 L245 I247 V251 N252 R253	Y208-E249 HydrophobicContact CE2-CG 4.34Å; Y208-E249 PolarHBondContact OH-OE1 3.14Å; T210-E249 HydrophobicContact CG2-CG 3.49Å; T210-E249 VanDerWaalsContact CG2-CG 3.49Å; L245-E249 WeakPolarHBondContact O-CG 3.24Å; L245-E249 PolarHBondContact O-N 3.27Å; I247-E249 PolarHBondContact O-N 3.02Å; E249-V251 PolarHBondContact O-N 2.66Å; E249-N252 PolarHBondContact O-N 3.07Å; E249-R253 WeakPolarHBondContact O-CG 3.32Å; E249-R253 PolarHBondContact O-N 2.83Å
250	T	82	Confident	84.7	Confident	32 Å²	32	37.7 Å²	37.7	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177.1	-61.3	0	0	0	0	111.2	Q246 I247 L248 R253 G254 L426	Q246-T250 WeakPolarHBondContact O-CB 3.46Å; Q246-T250 PolarHBondContact O-N 3.19Å; Q246-T250 PolarHBondContact O-OG1 3.2Å; I247-T250 WeakPolarHBondContact O-CB 3.33Å; I247-T250 PolarHBondContact O-N 2.96Å; I247-T250 VanDerWaalsContact O-N 3.17Å; L248-T250 VanDerWaalsContact C-N 3.29Å; L248-T250 PolarHBondContact O-N 3.13Å; T250-R253 PolarHBondContact O-N 3.05Å; T250-G254 PolarHBondContact O-N 3.25Å; T250-L426 HydrophobicContact CG2-CD1 3.95Å; T250-L426 HydrophobicContact CG2-CD2 3.79Å; T250-L426 HydrophobicContact CG2-CG 3.55Å; T250-L426 WeakPolarHBondContact O-CD1 3.18Å
251	V	86.9	Confident	85	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-44.7	177.2	173.8	0	0	0	0	111.6	L166 Y169 V178 I247 L248 E249 R253 G254 Y255	L166-V251 HydrophobicContact CD2-CG1 4Å; Y169-V251 HydrophobicContact CD1-CG2 4.43Å; Y169-V251 HydrophobicContact CD2-CG1 3.86Å; Y169-V251 HydrophobicContact CD2-CG2 4.24Å; Y169-V251 HydrophobicContact CE1-CG2 3.89Å; Y169-V251 HydrophobicContact CE2-CB 4.4Å; Y169-V251 HydrophobicContact CE2-CG1 3.92Å; Y169-V251 HydrophobicContact CE2-CG2 3.67Å; Y169-V251 HydrophobicContact CG-CG1 4.42Å; Y169-V251 VanDerWaalsContact CZ-CG2 3.46Å; V178-V251 HydrophobicContact CG2-CG1 4.27Å; I247-V251 HydrophobicContact CG2-CG2 4.36Å; I247-V251 VanDerWaalsContact O-CG2 3.31Å; I247-V251 WeakPolarHBondContact O-CG2 3.38Å; I247-V251 PolarHBondContact O-N 3.21Å; L248-V251 PolarHBondContact O-N 3.2Å; E249-V251 PolarHBondContact O-N 2.66Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 2.8Å; V251-G254 CarbonylContact O-C 3.6Å; V251-G254 VanDerWaalsContact O-CA 3.31Å; V251-G254 WeakPolarHBondContact O-CA 3.37Å; V251-G254 PolarHBondContact O-N 3.42Å; V251-Y255 HydrophobicContact CG1-CD1 4.27Å; V251-Y255 HydrophobicContact CG1-CE1 3.86Å; V251-Y255 PolarHBondContact O-N 2.71Å
252	N	93.6	Very high	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-45	177.1	-167.4	167.9	0	0	0	111.2	L166 L207 Y208 I209 L248 E249 G254 Y255 Q256	L166-N252 HydrophobicContact CD1-CB 3.95Å; L166-N252 VanDerWaalsContact CD1-CG 3.42Å; L166-N252 HydrophobicContact CD2-CB 3.83Å; L207-N252 PolarHBondContact O-ND2 3.42Å; L207-N252 VanDerWaalsContact O-ND2 3.09Å; L207-N252 PolarHBondContact O-OD1 3.11Å; Y208-N252 WeakPolarHBondContact CA-OD1 3.49Å; I209-N252 PolarHBondContact N-OD1 2.95Å; L248-N252 WeakPolarHBondContact O-CB 3.29Å; L248-N252 PolarHBondContact O-N 3.31Å; E249-N252 PolarHBondContact O-N 3.07Å; N252-G254 VanDerWaalsContact C-N 3.31Å; N252-Y255 PolarHBondContact O-N 2.71Å; N252-Q256 WeakPolarHBondContact O-CG 3.24Å; N252-Q256 PolarHBondContact O-N 3.03Å
253	R	89.1	Confident	86.3	Confident	70 Å²	70	31 Å²	31	26%	0.264	16%	0.156	S	C	.	.	H	α-helix	trans	-67.7	-32.7	173.9	-65.3	-51.2	-171.4	167.7	4.2	112.3	E249 T250 V251 Q256 R257 R283 D284	E249-R253 WeakPolarHBondContact O-CG 3.32Å; E249-R253 PolarHBondContact O-N 2.83Å; T250-R253 PolarHBondContact O-N 3.05Å; V251-R253 VanDerWaalsContact C-N 3.32Å; V251-R253 PolarHBondContact O-N 2.8Å; R253-Q256 PolarHBondContact O-N 3.36Å; R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 3.01Å; R253-R283 PolarHBondContact NH1-O 3.33Å; R253-R283 VanDerWaalsContact NH1-O 3.15Å; R253-D284 IonicContact CZ-OD1 3.58Å; R253-D284 IonicContact NH1-OD1 3.36Å; R253-D284 PolarHBondContact NH1-OD1 2.93Å; R253-D284 IonicContact NH2-OD1 2.68Å; R253-D284 PolarHBondContact NH2-OD1 3.29Å
254	G	85	Confident	87	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-46.7	172.7	0	0	0	0	0	113.2	V178 T250 V251 N252 S258	V178-G254 WeakPolarHBondContact CG1-O 3.4Å; T250-G254 PolarHBondContact O-N 3.25Å; V251-G254 CarbonylContact O-C 3.6Å; V251-G254 VanDerWaalsContact O-CA 3.31Å; V251-G254 WeakPolarHBondContact O-CA 3.37Å; V251-G254 PolarHBondContact O-N 3.42Å; N252-G254 VanDerWaalsContact C-N 3.31Å; G254-S258 VanDerWaalsContact O-CB 3.24Å; G254-S258 WeakPolarHBondContact O-CB 3.35Å; G254-S258 PolarHBondContact O-N 3.12Å; G254-S258 PolarHBondContact O-OG 2.8Å
255	Y	93	Very high	87.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-54.3	175.2	-75.4	8.1	0	0	0	111.1	D165 L166 Y176 V178 Y181 P206 V251 N252 R257 S258 L259	D165-Y255 HydrophobicContact CB-CE2 3.78Å; L166-Y255 HydrophobicContact CD2-CD2 4.26Å; L166-Y255 HydrophobicContact CD2-CE2 4.12Å; L166-Y255 HydrophobicContact CG-CD2 4.31Å; L166-Y255 HydrophobicContact CG-CE2 4.13Å; Y176-Y255 PolarHBondContact O-OH 3.38Å; V178-Y255 HydrophobicContact CB-CD1 4.21Å; V178-Y255 HydrophobicContact CB-CE1 4.39Å; V178-Y255 HydrophobicContact CG1-CD1 4.35Å; V178-Y255 HydrophobicContact CG2-CD1 3.87Å; V178-Y255 HydrophobicContact CG2-CE1 4.08Å; Y181-Y255 VanDerWaalsContact CB-CZ 3.47Å; Y181-Y255 AromaticContact CD1-CD1 3.62Å; Y181-Y255 HydrophobicContact CD1-CD1 3.62Å; Y181-Y255 AromaticContact CD1-CD2 3.75Å; Y181-Y255 HydrophobicContact CD1-CD2 3.75Å; Y181-Y255 HydrophobicContact CD1-CE1 4.03Å; Y181-Y255 HydrophobicContact CD1-CE2 4.14Å; Y181-Y255 AromaticContact CD1-CG 3.46Å; Y181-Y255 HydrophobicContact CD1-CG 3.46Å; Y181-Y255 VanDerWaalsContact CD1-CG 3.46Å; Y181-Y255 AromaticContact CD2-CD2 3.72Å; Y181-Y255 HydrophobicContact CD2-CD2 3.72Å; Y181-Y255 HydrophobicContact CD2-CE1 4.31Å; Y181-Y255 AromaticContact CD2-CE2 3.42Å; Y181-Y255 HydrophobicContact CD2-CE2 3.42Å; Y181-Y255 VanDerWaalsContact CD2-CE2 3.42Å; Y181-Y255 HydrophobicContact CD2-CG 4.26Å; Y181-Y255 AromaticContact CD2-CZ 3.73Å; Y181-Y255 HydrophobicContact CE1-CD1 4.31Å; Y181-Y255 AromaticContact CE1-CD2 3.8Å; Y181-Y255 HydrophobicContact CE1-CD2 3.8Å; Y181-Y255 HydrophobicContact CE1-CE2 4.48Å; Y181-Y255 AromaticContact CE1-CG 3.68Å; Y181-Y255 HydrophobicContact CE1-CG 3.68Å; Y181-Y255 AromaticContact CE2-CD2 3.78Å; Y181-Y255 HydrophobicContact CE2-CD2 3.78Å; Y181-Y255 AromaticContact CE2-CE2 3.83Å; Y181-Y255 HydrophobicContact CE2-CE2 3.83Å; Y181-Y255 HydrophobicContact CE2-CG 4.46Å; Y181-Y255 AromaticContact CG-CD1 3.76Å; Y181-Y255 HydrophobicContact CG-CD1 3.76Å; Y181-Y255 AromaticContact CG-CD2 3.72Å; Y181-Y255 HydrophobicContact CG-CD2 3.72Å; Y181-Y255 AromaticContact CG-CE1 3.66Å; Y181-Y255 HydrophobicContact CG-CE1 3.66Å; Y181-Y255 AromaticContact CG-CE2 3.6Å; Y181-Y255 HydrophobicContact CG-CE2 3.6Å; Y181-Y255 AromaticContact CG-CG 3.78Å; Y181-Y255 HydrophobicContact CG-CG 3.78Å; Y181-Y255 AromaticContact CG-CZ 3.55Å; Y181-Y255 AromaticContact CZ-CD2 3.82Å; P206-Y255 HydrophobicContact CG-CD2 4.4Å; V251-Y255 HydrophobicContact CG1-CD1 4.27Å; V251-Y255 HydrophobicContact CG1-CE1 3.86Å; V251-Y255 PolarHBondContact O-N 2.71Å; N252-Y255 PolarHBondContact O-N 2.71Å; Y255-R257 VanDerWaalsContact C-N 3.34Å; Y255-R257 PolarHBondContact O-N 3.38Å; Y255-S258 PolarHBondContact O-N 3.25Å; Y255-L259 WeakPolarHBondContact O-CG 3.27Å; Y255-L259 PolarHBondContact O-N 3.44Å
256	Q	92.8	Very high	87.3	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-55.8	-48.5	-179.3	-66.9	172	-19.7	0	0	111.3	P206 N252 R253 H260 R283	P206-Q256 HydrophobicContact CG-CG 4.14Å; P206-Q256 PolarHBondContact O-NE2 3.47Å; N252-Q256 WeakPolarHBondContact O-CG 3.24Å; N252-Q256 PolarHBondContact O-N 3.03Å; R253-Q256 PolarHBondContact O-N 3.36Å; Q256-H260 PolarHBondContact O-N 2.81Å; Q256-R283 PolarHBondContact NE2-O 3Å
257	R	87.6	Confident	87.9	Confident	62 Å²	62	30.8 Å²	30.8	23%	0.234	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-44.5	-179.7	-172.2	-174.2	-59.6	109.6	0.3	113	R253 Y255 L259 H260 E261 N423 N424	R253-R257 WeakPolarHBondContact O-CB 3.3Å; R253-R257 PolarHBondContact O-N 3.01Å; Y255-R257 VanDerWaalsContact C-N 3.34Å; Y255-R257 PolarHBondContact O-N 3.38Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.11Å; R257-H260 WeakPolarHBondContact O-CA 3.46Å; R257-H260 VanDerWaalsContact O-CB 3.27Å; R257-H260 WeakPolarHBondContact O-CB 3.28Å; R257-H260 PolarHBondContact O-N 3.36Å; R257-H260 VanDerWaalsContact O-N 3.14Å; R257-E261 PolarHBondContact O-N 3.36Å; R257-N423 PolarHBondContact NH2-O 3.11Å; R257-N424 WeakPolarHBondContact CD-ND2 3.17Å; R257-N424 VanDerWaalsContact CZ-CG 3.48Å; R257-N424 PolarHBondContact NH1-OD1 2.92Å
258	S	83.6	Confident	88.6	Confident	25 Å²	25	28.7 Å²	28.7	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-73	-26	-174.3	-55.8	0	0	0	0	112	V178 V182 G254 Y255 L262	V178-S258 WeakPolarHBondContact CG1-OG 3.33Å; V182-S258 VanDerWaalsContact CG2-CB 3.46Å; G254-S258 VanDerWaalsContact O-CB 3.24Å; G254-S258 WeakPolarHBondContact O-CB 3.35Å; G254-S258 PolarHBondContact O-N 3.12Å; G254-S258 PolarHBondContact O-OG 2.8Å; Y255-S258 PolarHBondContact O-N 3.25Å; S258-L262 WeakPolarHBondContact O-CB 3.19Å; S258-L262 PolarHBondContact O-N 2.04Å
259	L	92.6	Very high	88.8	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-44.9	166.6	-69.8	-176.7	0	0	0	111.8	Y181 V182 L185 L203 Y255 R257 E261 L262 I263 I278	Y181-L259 HydrophobicContact CE1-CD1 3.85Å; Y181-L259 HydrophobicContact CE1-CD2 4.03Å; Y181-L259 HydrophobicContact CE1-CG 3.91Å; V182-L259 HydrophobicContact CG2-CD2 4.03Å; V182-L259 HydrophobicContact CG2-CG 4.47Å; L185-L259 HydrophobicContact CB-CD2 4.35Å; L185-L259 HydrophobicContact CD1-CD1 4.2Å; L185-L259 HydrophobicContact CD1-CD2 3.56Å; L185-L259 HydrophobicContact CD1-CG 4.47Å; L203-L259 HydrophobicContact CD2-CD1 4.47Å; L203-L259 HydrophobicContact CD2-CD2 4.28Å; Y255-L259 WeakPolarHBondContact O-CG 3.27Å; Y255-L259 PolarHBondContact O-N 3.44Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.11Å; L259-E261 PolarHBondContact O-N 3.31Å; L259-L262 WeakPolarHBondContact O-CB 3.45Å; L259-L262 PolarHBondContact O-N 3.26Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.09Å; L259-I278 HydrophobicContact CB-CD1 4.44Å
260	H	89.9	Confident	88.9	Confident	47 Å²	47	31.4 Å²	31.4	22%	0.218	16%	0.161	C	C	.	.	H	α-helix	trans	-55.3	-50.9	171.8	-93.6	-81.4	0	0	0	111.8	E205 Q256 R257 L262 I263 D264 I278 R283	E205-H260 IonicContact OE1-CD2 3.29Å; E205-H260 PolarHBondContact OE1-CD2 3.03Å; E205-H260 IonicContact OE1-CE1 3.42Å; E205-H260 IonicContact OE1-CG 3.44Å; E205-H260 IonicContact OE1-NE2 3.45Å; E205-H260 PolarHBondContact OE1-NE2 3.31Å; Q256-H260 PolarHBondContact O-N 2.81Å; R257-H260 WeakPolarHBondContact O-CA 3.46Å; R257-H260 VanDerWaalsContact O-CB 3.27Å; R257-H260 WeakPolarHBondContact O-CB 3.28Å; R257-H260 PolarHBondContact O-N 3.36Å; R257-H260 VanDerWaalsContact O-N 3.14Å; H260-L262 VanDerWaalsContact C-N 3.27Å; H260-L262 PolarHBondContact O-N 2.98Å; H260-I263 PolarHBondContact O-N 3.15Å; H260-D264 IonicContact ND1-OD2 3.12Å; H260-D264 PolarHBondContact ND1-OD2 3.22Å; H260-D264 WeakPolarHBondContact O-CB 3.43Å; H260-D264 VanDerWaalsContact O-CG 3.32Å; H260-D264 PolarHBondContact O-N 3.41Å; H260-I278 VanDerWaalsContact CA-CD1 3.46Å; H260-I278 HydrophobicContact CB-CD1 4.25Å; H260-R283 PolarHBondContact NE2-NH1 3.32Å
261	E	83.1	Confident	89.4	Confident	69 Å²	69	33.6 Å²	33.6	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-56.3	-40.8	177.1	-69.4	179.8	-167.4	0	0	112.5	R257 L259 S265 R430	R257-E261 PolarHBondContact O-N 3.36Å; L259-E261 PolarHBondContact O-N 3.31Å; E261-S265 PolarHBondContact O-N 2.03Å; E261-R430 IonicContact OE1-NH1 2.71Å; E261-R430 IonicContact OE2-CZ 3.31Å; E261-R430 IonicContact OE2-NH1 3.77Å; E261-R430 PolarHBondContact OE2-NH1 3.22Å; E261-R430 VanDerWaalsContact OE2-NH1 3.15Å; E261-R430 IonicContact OE2-NH2 3.26Å; E261-R430 PolarHBondContact OE2-NH2 3.09Å
262	L	88.4	Confident	89.8	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-46.6	177.3	176.3	63	0	0	0	112.1	V182 K186 L189 S258 L259 H260 S265 Y268	V182-L262 HydrophobicContact CG1-CB 4.14Å; V182-L262 HydrophobicContact CG1-CD2 3.89Å; V182-L262 HydrophobicContact CG1-CG 4.5Å; K186-L262 HydrophobicContact CB-CD1 4.26Å; K186-L262 HydrophobicContact CB-CD2 3.9Å; K186-L262 HydrophobicContact CD-CD1 4.19Å; K186-L262 HydrophobicContact CG-CD1 4.02Å; K186-L262 HydrophobicContact CG-CD2 4.49Å; L189-L262 HydrophobicContact CD1-CD2 4.3Å; S258-L262 WeakPolarHBondContact O-CB 3.19Å; S258-L262 PolarHBondContact O-N 2.04Å; L259-L262 WeakPolarHBondContact O-CB 3.45Å; L259-L262 PolarHBondContact O-N 3.26Å; H260-L262 VanDerWaalsContact C-N 3.27Å; H260-L262 PolarHBondContact O-N 2.98Å; L262-S265 WeakPolarHBondContact O-CB 3.42Å; L262-S265 PolarHBondContact O-OG 3.17Å; L262-Y268 HydrophobicContact CD1-CE2 4.29Å; L262-Y268 HydrophobicContact CD2-CE2 4.46Å; L262-Y268 HydrophobicContact CG-CE2 4.09Å
263	I	93	Very high	89.9	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-78.8	-41.2	-176.7	-56.2	-49.3	0	0	0	111.7	L189 L203 L259 H260 S265 G266 Y268 V276 I278	L189-I263 HydrophobicContact CD1-CD1 3.96Å; L203-I263 HydrophobicContact CD2-CD1 4.08Å; L203-I263 HydrophobicContact CD2-CG1 4.06Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 3.09Å; H260-I263 PolarHBondContact O-N 3.15Å; I263-S265 PolarHBondContact O-N 3.13Å; I263-S265 VanDerWaalsContact O-N 3.12Å; I263-G266 PolarHBondContact O-N 3.15Å; I263-G266 VanDerWaalsContact O-N 3.08Å; I263-Y268 HydrophobicContact CD1-CD2 3.55Å; I263-Y268 HydrophobicContact CD1-CE2 3.57Å; I263-V276 HydrophobicContact CD1-CB 3.97Å; I263-V276 HydrophobicContact CD1-CG1 3.6Å; I263-V276 HydrophobicContact CG1-CG1 4.28Å; I263-I278 HydrophobicContact CB-CD1 3.82Å; I263-I278 HydrophobicContact CB-CG1 3.99Å; I263-I278 HydrophobicContact CG1-CD1 3.69Å; I263-I278 HydrophobicContact CG1-CG1 3.65Å; I263-I278 HydrophobicContact CG2-CD1 4.48Å; I263-I278 HydrophobicContact CG2-CG1 4.23Å
264	D	86.9	Confident	90.4	Very high	27 Å²	27	35 Å²	35	14%	0.144	19%	0.187	C	C	.	.	H	α-helix	trans	-67.8	-9	177.7	-69.5	-36.2	0	0	0	112.9	H260 G266 Y360 Y362	H260-D264 IonicContact ND1-OD2 3.12Å; H260-D264 PolarHBondContact ND1-OD2 3.22Å; H260-D264 WeakPolarHBondContact O-CB 3.43Å; H260-D264 VanDerWaalsContact O-CG 3.32Å; H260-D264 PolarHBondContact O-N 3.41Å; D264-G266 PolarHBondContact O-N 2.88Å; D264-Y360 VanDerWaalsContact CG-OH 3.23Å; D264-Y360 PolarHBondContact OD1-OH 3.12Å; D264-Y362 VanDerWaalsContact O-CD1 3.29Å; D264-Y362 WeakPolarHBondContact O-CD1 3.49Å
265	S	83.2	Confident	91	Very high	60 Å²	60	35 Å²	35	42%	0.42	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.4	167.9	75.4	0	0	0	0	113.8	E261 L262 I263 R267	E261-S265 PolarHBondContact O-N 2.03Å; L262-S265 WeakPolarHBondContact O-CB 3.42Å; L262-S265 PolarHBondContact O-OG 3.17Å; I263-S265 PolarHBondContact O-N 3.13Å; I263-S265 VanDerWaalsContact O-N 3.12Å; S265-R267 PolarHBondContact O-N 3.12Å; S265-R267 WeakPolarHBondContact OG-CB 3.36Å; S265-R267 PolarHBondContact OG-N 2.83Å
266	G	86.7	Confident	91.2	Very high	14 Å²	14	35.1 Å²	35.1	14%	0.144	19%	0.188	C	C	.	.			trans	75.5	3.3	-177.3	0	0	0	0	0	114.6	I263 D264 Y268 D269	I263-G266 PolarHBondContact O-N 3.15Å; I263-G266 VanDerWaalsContact O-N 3.08Å; D264-G266 PolarHBondContact O-N 2.88Å; G266-Y268 PolarHBondContact O-N 2.89Å; G266-Y268 VanDerWaalsContact O-N 3.17Å; G266-D269 PolarHBondContact O-N 3.2Å; G266-D269 VanDerWaalsContact O-N 3.13Å
267	R	92.2	Very high	91.5	Very high	103 Å²	103	35.3 Å²	35.3	39%	0.389	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-52.6	-39.1	-177.2	-178.6	-178.5	-177.2	91.3	-2.7	113.5	D190 Q193 S265 T270	D190-R267 VanDerWaalsContact CG-NH2 3.33Å; D190-R267 IonicContact OD1-CZ 3.28Å; D190-R267 IonicContact OD1-NE 2.68Å; D190-R267 PolarHBondContact OD1-NE 3.02Å; D190-R267 IonicContact OD1-NH2 3.59Å; D190-R267 PolarHBondContact OD1-NH2 2.03Å; D190-R267 VanDerWaalsContact OD1-NH2 3.12Å; D190-R267 IonicContact OD2-CZ 2.74Å; D190-R267 IonicContact OD2-NE 3.65Å; D190-R267 IonicContact OD2-NH2 3.69Å; D190-R267 PolarHBondContact OD2-NH2 3.18Å; Q193-R267 PolarHBondContact NE2-O 2.83Å; S265-R267 PolarHBondContact O-N 3.12Å; S265-R267 WeakPolarHBondContact OG-CB 3.36Å; S265-R267 PolarHBondContact OG-N 2.83Å; R267-T270 WeakPolarHBondContact O-CG2 3.05Å; R267-T270 PolarHBondContact O-OG1 3.1Å; R267-T270 VanDerWaalsContact O-OG1 3.1Å
268	Y	95.4	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-91	1.1	-174.4	-57.3	-65.3	0	0	0	114.6	L189 D190 Q193 L262 I263 G266 F274 V276	L189-Y268 HydrophobicContact CB-CD1 4.47Å; L189-Y268 HydrophobicContact CB-CE1 3.66Å; L189-Y268 HydrophobicContact CB-CE2 4.24Å; L189-Y268 WeakPolarHBondContact CB-OH 3.08Å; L189-Y268 HydrophobicContact CD1-CE2 3.92Å; D190-Y268 PolarHBondContact OD1-OH 3.47Å; Q193-Y268 HydrophobicContact CB-CD1 4.41Å; L262-Y268 HydrophobicContact CD1-CE2 4.29Å; L262-Y268 HydrophobicContact CD2-CE2 4.46Å; L262-Y268 HydrophobicContact CG-CE2 4.09Å; I263-Y268 HydrophobicContact CD1-CD2 3.55Å; I263-Y268 HydrophobicContact CD1-CE2 3.57Å; G266-Y268 PolarHBondContact O-N 2.89Å; G266-Y268 VanDerWaalsContact O-N 3.17Å; Y268-F274 HydrophobicContact CD1-CE1 4.18Å; Y268-F274 VanDerWaalsContact O-O 3.11Å; Y268-V276 HydrophobicContact CD1-CG2 4.12Å; Y268-V276 HydrophobicContact CD2-CB 4.16Å; Y268-V276 HydrophobicContact CD2-CG2 3.88Å; Y268-V276 HydrophobicContact CG-CB 4.23Å; Y268-V276 HydrophobicContact CG-CG2 3.61Å
269	D	91.1	Very high	92.6	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.053	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-108.6	15.6	-179.5	-73.1	-91.4	0	0	0	113	H35 G266 Q271 T275 S355 K356 Y362	H35-D269 IonicContact CE1-OD1 3.26Å; G266-D269 PolarHBondContact O-N 3.2Å; G266-D269 VanDerWaalsContact O-N 3.13Å; D269-Q271 VanDerWaalsContact C-N 3.3Å; D269-T275 PolarHBondContact OD1-OG1 2.85Å; D269-S355 PolarHBondContact OD1-OG 3.23Å; D269-K356 VanDerWaalsContact O-CE 3.24Å; D269-K356 WeakPolarHBondContact O-CE 3.45Å; D269-K356 PolarHBondContact O-NZ 3.13Å; D269-Y362 HydrophobicContact CB-CE2 4.27Å; D269-Y362 WeakPolarHBondContact CB-OH 3.44Å; D269-Y362 PolarHBondContact OD1-OH 3.06Å; D269-Y362 VanDerWaalsContact OD1-OH 3.13Å; D269-Y362 PolarHBondContact OD2-OH 2.99Å
270	T	90.8	Very high	92.7	Very high	105 Å²	105	32.2 Å²	32.2	64%	0.644	18%	0.176	S	C	*	.	S	Bend	trans	-75.8	-17.5	178.9	49.7	0	0	0	0	113.2	Q193 R267	Q193-T270 PolarHBondContact NE2-OG1 2.66Å; R267-T270 WeakPolarHBondContact O-CG2 3.05Å; R267-T270 PolarHBondContact O-OG1 3.1Å; R267-T270 VanDerWaalsContact O-OG1 3.1Å
271	Q	92.8	Very high	92.9	Very high	78 Å²	78	30 Å²	30	36%	0.364	17%	0.166	S	C	.	.	S	Bend	trans	-112.6	155.4	179.1	-58.5	-179.2	33.3	0	0	110.2	D269 F274	D269-Q271 VanDerWaalsContact C-N 3.3Å; Q271-F274 HydrophobicContact CB-CB 4.44Å
272	S	94.7	Very high	93.4	Very high	68 Å²	68	27 Å²	27	48%	0.476	15%	0.152	S	C	.	.	S	Bend	trans	-80.3	-24.8	179.5	56.3	0	0	0	0	113	S33 V34	S33-S272 CarbonylContact C-O 3.59Å; S33-S272 WeakPolarHBondContact CA-O 3.34Å; S33-S272 PolarHBondContact OG-O 3.3Å; V34-S272 PolarHBondContact N-O 3.05Å
273	D	96.6	Very high	93.5	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	16%	0.16	C	C	.	.	S	Bend	trans	-110.3	8.2	-171.7	72.8	-42.7	0	0	0	114.6	W154 R198 A199	W154-D273 HydrophobicContact CH2-CB 3.93Å; W154-D273 HydrophobicContact CZ3-CB 4.47Å; W154-D273 WeakPolarHBondContact CZ3-O 3.18Å; R198-D273 CarbonylContact C-O 3.44Å; R198-D273 WeakPolarHBondContact CA-O 3.37Å; R198-D273 HydrophobicContact CG-CB 4.2Å; R198-D273 PolarHBondContact N-O 3.42Å; R198-D273 PolarHBondContact N-OD2 2.87Å; A199-D273 PolarHBondContact N-O 2.79Å
274	F	98.2	Very high	93.2	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.8	175.7	-170.9	-87	0	0	0	110.2	L192 Q193 A199 V201 Y268 Q271 V276	L192-F274 HydrophobicContact CB-CE2 3.94Å; L192-F274 HydrophobicContact CB-CZ 3.88Å; Q193-F274 HydrophobicContact CB-CD1 3.82Å; Q193-F274 HydrophobicContact CB-CE1 3.55Å; Q193-F274 HydrophobicContact CB-CE2 4.32Å; Q193-F274 HydrophobicContact CB-CG 4.29Å; Q193-F274 HydrophobicContact CB-CZ 3.84Å; Q193-F274 HydrophobicContact CG-CD1 3.68Å; Q193-F274 HydrophobicContact CG-CE1 3.94Å; Q193-F274 HydrophobicContact CG-CG 4.12Å; A199-F274 HydrophobicContact CB-CD2 3.81Å; A199-F274 HydrophobicContact CB-CE2 3.95Å; A199-F274 WeakPolarHBondContact O-CA 3.28Å; V201-F274 HydrophobicContact CG2-CE2 3.98Å; V201-F274 HydrophobicContact CG2-CZ 3.74Å; Y268-F274 HydrophobicContact CD1-CE1 4.18Å; Y268-F274 VanDerWaalsContact O-O 3.11Å; Q271-F274 HydrophobicContact CB-CB 4.44Å; F274-V276 HydrophobicContact CE1-CG2 3.74Å; F274-V276 HydrophobicContact CZ-CG2 4.2Å
275	T	97.8	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.6	167.3	-170.5	0	0	0	0	111.1	V34 A199 L200 V201 D269 V277 T354	V34-T275 HydrophobicContact CB-CG2 4.24Å; V34-T275 HydrophobicContact CG1-CG2 3.59Å; V34-T275 HydrophobicContact CG2-CG2 3.59Å; A199-T275 PolarHBondContact O-N 3.46Å; L200-T275 HydrophobicContact CD1-CG2 3.35Å; V201-T275 PolarHBondContact N-O 3.13Å; D269-T275 PolarHBondContact OD1-OG1 2.85Å; T275-V277 HydrophobicContact CG2-CG2 4.22Å; T275-T354 HydrophobicContact CG2-CG2 3.83Å
276	V	98.3	Very high	93.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.3	169.9	-174.4	0	0	0	0	108.6	L189 V201 L203 I263 Y268 F274	L189-V276 HydrophobicContact CD1-CG1 4.28Å; L189-V276 HydrophobicContact CD1-CG2 4.47Å; L189-V276 HydrophobicContact CD2-CG1 4.11Å; L189-V276 HydrophobicContact CD2-CG2 3.85Å; V201-V276 HydrophobicContact CB-CB 4.41Å; V201-V276 HydrophobicContact CB-CG1 4.27Å; V201-V276 HydrophobicContact CB-CG2 4.09Å; V201-V276 HydrophobicContact CG1-CG1 4.34Å; V201-V276 HydrophobicContact CG2-CG2 4.4Å; L203-V276 HydrophobicContact CB-CG1 3.87Å; L203-V276 HydrophobicContact CD2-CG1 4.31Å; I263-V276 HydrophobicContact CD1-CB 3.97Å; I263-V276 HydrophobicContact CD1-CG1 3.6Å; I263-V276 HydrophobicContact CG1-CG1 4.28Å; Y268-V276 HydrophobicContact CD1-CG2 4.12Å; Y268-V276 HydrophobicContact CD2-CB 4.16Å; Y268-V276 HydrophobicContact CD2-CG2 3.88Å; Y268-V276 HydrophobicContact CG-CB 4.23Å; Y268-V276 HydrophobicContact CG-CG2 3.61Å; F274-V276 HydrophobicContact CE1-CG2 3.74Å; F274-V276 HydrophobicContact CZ-CG2 4.2Å
277	V	97.7	Very high	93.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.7	178.7	-179.4	0	0	0	0	109.2	L200 V201 L203 T275 V327 K330 T354	L200-V277 HydrophobicContact CD1-CG2 3.84Å; V201-V277 PolarHBondContact O-N 3.17Å; L203-V277 PolarHBondContact N-O 2.83Å; T275-V277 HydrophobicContact CG2-CG2 4.22Å; V277-V327 HydrophobicContact CG1-CG2 4.25Å; V277-K330 VanDerWaalsContact CG1-CE 3.41Å; V277-T354 HydrophobicContact CG2-CG2 4.29Å
278	I	97.4	Very high	93.3	Very high	13 Å²	13	27 Å²	27	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	136.5	173.7	-64.3	-178	0	0	0	109.9	L203 E205 L259 H260 I263 P280 K330	L203-I278 HydrophobicContact CD2-CG1 4.47Å; L203-I278 CarbonylContact O-C 3.41Å; L203-I278 VanDerWaalsContact O-CA 3.29Å; L203-I278 WeakPolarHBondContact O-CA 3.41Å; E205-I278 HydrophobicContact CG-CG2 3.53Å; E205-I278 WeakPolarHBondContact OE1-CG2 3.4Å; L259-I278 HydrophobicContact CB-CD1 4.44Å; H260-I278 VanDerWaalsContact CA-CD1 3.46Å; H260-I278 HydrophobicContact CB-CD1 4.25Å; I263-I278 HydrophobicContact CB-CD1 3.82Å; I263-I278 HydrophobicContact CB-CG1 3.99Å; I263-I278 HydrophobicContact CG1-CD1 3.69Å; I263-I278 HydrophobicContact CG1-CG1 3.65Å; I263-I278 HydrophobicContact CG2-CD1 4.48Å; I263-I278 HydrophobicContact CG2-CG1 4.23Å; I278-P280 HydrophobicContact CG2-CB 4.41Å; I278-K330 VanDerWaalsContact O-CD 3.26Å; I278-K330 WeakPolarHBondContact O-CD 3.36Å; I278-K330 WeakPolarHBondContact O-CE 3.48Å
279	Q	97.4	Very high	93.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	90.1	175.7	-52.2	-67.9	-8.5	0	0	109.7	N202 L203 V204 E205 F281 L319 N322	N202-Q279 HydrophobicContact CB-CG 4.2Å; N202-Q279 PolarHBondContact OD1-NE2 3.12Å; L203-Q279 PolarHBondContact O-N 2.99Å; V204-Q279 HydrophobicContact CG2-CB 4.23Å; E205-Q279 PolarHBondContact N-O 3.13Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; Q279-F281 HydrophobicContact CB-CD1 4.12Å; Q279-F281 HydrophobicContact CB-CE1 4.14Å; Q279-F281 PolarHBondContact O-N 3.23Å; Q279-L319 HydrophobicContact CB-CD1 3.94Å; Q279-L319 HydrophobicContact CG-CD1 3.59Å; Q279-N322 WeakPolarHBondContact CA-OD1 3.17Å; Q279-N322 VanDerWaalsContact OE1-C 3.27Å; Q279-N322 PolarHBondContact OE1-O 2.86Å; Q279-N322 PolarHBondContact OE1-OD1 2.95Å
280	P	96	Very high	93	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.052	18%	0.184	C	C	.	.			trans	-86.5	14.4	-166.8	34.6	-38.8	0	0	0	115.3	E205 I278 L282 R283 N322 K330 S332	E205-P280 HydrophobicContact CG-CB 4.19Å; E205-P280 WeakPolarHBondContact OE2-CB 3.29Å; I278-P280 HydrophobicContact CG2-CB 4.41Å; P280-L282 PolarHBondContact O-N 3.3Å; P280-R283 HydrophobicContact CB-CB 4.38Å; P280-R283 WeakPolarHBondContact O-CB 3.45Å; P280-R283 PolarHBondContact O-N 2.91Å; P280-N322 WeakPolarHBondContact CD-OD1 3.34Å; P280-K330 HydrophobicContact CG-CB 4.03Å; P280-S332 CarbonylContact O-C 3.58Å; P280-S332 VanDerWaalsContact O-CA 3.29Å; P280-S332 WeakPolarHBondContact O-CA 3.42Å; P280-S332 VanDerWaalsContact O-O 3.08Å
281	F	93.9	Very high	92.8	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.1	-171.1	67	-90.7	0	0	0	115.6	W77 V204 Q279 M315 L319 N322 T331	W77-F281 AromaticContact CH2-CZ 3.93Å; W77-F281 HydrophobicContact CH2-CZ 3.93Å; W77-F281 HydrophobicContact CZ3-CE1 4.32Å; W77-F281 AromaticContact CZ3-CZ 3.66Å; W77-F281 HydrophobicContact CZ3-CZ 3.66Å; V204-F281 HydrophobicContact CG1-CE1 3.87Å; V204-F281 HydrophobicContact CG1-CZ 3.96Å; V204-F281 HydrophobicContact CG2-CE1 4.45Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; Q279-F281 HydrophobicContact CB-CD1 4.12Å; Q279-F281 HydrophobicContact CB-CE1 4.14Å; Q279-F281 PolarHBondContact O-N 3.23Å; F281-M315 HydrophobicContact CE2-CB 4.33Å; F281-M315 HydrophobicContact CE2-CG 4.44Å; F281-L319 HydrophobicContact CE1-CB 3.89Å; F281-L319 HydrophobicContact CE1-CD1 4.2Å; F281-L319 HydrophobicContact CZ-CB 4.15Å; F281-N322 HydrophobicContact CD1-CB 4.37Å; F281-T331 WeakPolarHBondContact CA-O 2.85Å; F281-T331 PolarHBondContact N-O 2.93Å
282	L	92.1	Very high	92.6	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-3.7	174.9	-60.9	176.3	0	0	0	114	F160 V204 L207 Y208 P280 D284 I285 M315	F160-L282 HydrophobicContact CE2-CD1 3.66Å; F160-L282 HydrophobicContact CZ-CD1 3.76Å; V204-L282 HydrophobicContact CG1-CD1 4Å; L207-L282 WeakPolarHBondContact CA-O 3.25Å; L207-L282 HydrophobicContact CB-CB 4.05Å; Y208-L282 PolarHBondContact N-O 2.96Å; P280-L282 PolarHBondContact O-N 3.3Å; L282-D284 VanDerWaalsContact C-N 3.34Å; L282-D284 PolarHBondContact O-N 3.32Å; L282-I285 HydrophobicContact CD2-CD1 3.67Å; L282-I285 WeakPolarHBondContact O-CG2 3.3Å; L282-I285 PolarHBondContact O-N 3.39Å; L282-M315 HydrophobicContact CD1-CE 3.9Å
283	R	90.9	Very high	92.2	Very high	76 Å²	76	35.3 Å²	35.3	29%	0.287	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-43	-169	179.7	174.7	174.3	155.5	-3.8	113.1	E205 Y208 R253 Q256 H260 P280 S332	E205-R283 WeakPolarHBondContact OE2-CB 3.07Å; E205-R283 WeakPolarHBondContact OE2-CD 3.4Å; Y208-R283 WeakPolarHBondContact CB-O 3.43Å; R253-R283 PolarHBondContact NH1-O 3.33Å; R253-R283 VanDerWaalsContact NH1-O 3.15Å; Q256-R283 PolarHBondContact NE2-O 3Å; H260-R283 PolarHBondContact NE2-NH1 3.32Å; P280-R283 HydrophobicContact CB-CB 4.38Å; P280-R283 WeakPolarHBondContact O-CB 3.45Å; P280-R283 PolarHBondContact O-N 2.91Å; R283-S332 WeakPolarHBondContact CB-O 3.09Å; R283-S332 PolarHBondContact N-O 3.07Å
284	D	87.9	Confident	91.8	Very high	56 Å²	56	38.4 Å²	38.4	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	41.8	-179.8	-58.3	-52.4	0	0	0	110.3	R253 L282 A286 S332 S333	R253-D284 IonicContact CZ-OD1 3.58Å; R253-D284 IonicContact NH1-OD1 3.36Å; R253-D284 PolarHBondContact NH1-OD1 2.93Å; R253-D284 IonicContact NH2-OD1 2.68Å; R253-D284 PolarHBondContact NH2-OD1 3.29Å; L282-D284 VanDerWaalsContact C-N 3.34Å; L282-D284 PolarHBondContact O-N 3.32Å; D284-A286 PolarHBondContact O-N 3.46Å; D284-S332 PolarHBondContact N-O 3.44Å; D284-S333 PolarHBondContact O-OG 3.38Å
285	I	86.3	Confident	91.4	Very high	27 Å²	27	38.6 Å²	38.6	14%	0.138	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-66.6	131.5	179.9	-167	161.4	0	0	0	110.9	L207 L282 F336	L207-I285 HydrophobicContact CB-CG2 4.28Å; L282-I285 HydrophobicContact CD2-CD1 3.67Å; L282-I285 WeakPolarHBondContact O-CG2 3.3Å; L282-I285 PolarHBondContact O-N 3.39Å; I285-F336 HydrophobicContact CD1-CD1 4.49Å; I285-F336 HydrophobicContact CD1-CD2 4.18Å; I285-F336 HydrophobicContact CD1-CE1 4.14Å; I285-F336 HydrophobicContact CD1-CE2 3.79Å; I285-F336 HydrophobicContact CD1-CZ 3.77Å
286	A	86.1	Confident	91.1	Very high	56 Å²	56	39.9 Å²	39.9	46%	0.463	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-92.4	147.7	173.5	0	0	0	0	0	110.6	D284 P288	D284-A286 PolarHBondContact O-N 3.46Å; A286-P288 WeakPolarHBondContact O-CD 3.46Å
287	L	88.1	Confident	90.6	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67	126.9	173.4	-168.8	68.6	0	0	0	109.9	P211 E214 M215 P295 F300	P211-L287 HydrophobicContact CB-CB 4.2Å; E214-L287 HydrophobicContact CB-CD2 3.79Å; M215-L287 HydrophobicContact CG-CD1 3.84Å; M215-L287 HydrophobicContact CG-CD2 3.71Å; M215-L287 HydrophobicContact CG-CG 4.31Å; M215-L287 HydrophobicContact SD-CD1 4.14Å; L287-P295 HydrophobicContact CD2-CB 3.67Å; L287-P295 HydrophobicContact CD2-CG 3.7Å; L287-P295 HydrophobicContact CG-CB 4.28Å; L287-F300 HydrophobicContact CD1-CE2 3.8Å; L287-F300 HydrophobicContact CD1-CZ 3.56Å
288	P	89.6	Confident	90.3	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.039	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.8	141.7	175.9	-24.5	35.1	0	0	0	112	A286 P295 D296 Y299 F336 N337	A286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-P295 WeakPolarHBondContact O-CA 3.44Å; P288-D296 PolarHBondContact O-N 3.33Å; P288-Y299 HydrophobicContact CB-CD1 4.18Å; P288-Y299 HydrophobicContact CB-CD2 3.4Å; P288-Y299 VanDerWaalsContact CB-CD2 3.4Å; P288-Y299 HydrophobicContact CB-CE1 4.23Å; P288-Y299 HydrophobicContact CB-CE2 3.42Å; P288-Y299 VanDerWaalsContact CB-CE2 3.42Å; P288-Y299 HydrophobicContact CB-CG 3.77Å; P288-Y299 HydrophobicContact CG-CD1 3.87Å; P288-Y299 HydrophobicContact CG-CD2 3.91Å; P288-Y299 HydrophobicContact CG-CE1 4.21Å; P288-Y299 HydrophobicContact CG-CE2 4.2Å; P288-Y299 HydrophobicContact CG-CG 3.71Å; P288-F336 HydrophobicContact CG-CB 3.97Å; P288-N337 VanDerWaalsContact CA-OD1 3.31Å; P288-N337 WeakPolarHBondContact CA-OD1 3.49Å; P288-N337 WeakPolarHBondContact CB-OD1 3.42Å
289	R	90.4	Very high	90	Very high	103 Å²	103	45 Å²	45	39%	0.389	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-128.5	146.2	-174.4	-65.2	-176.7	-172.4	-78.3	-4.5	112.1	E214 G293 R294 N337	E214-R289 VanDerWaalsContact CD-NH2 3.35Å; E214-R289 IonicContact OE1-NH2 3.74Å; E214-R289 PolarHBondContact OE1-NH2 2.87Å; E214-R289 IonicContact OE2-CZ 3.39Å; E214-R289 VanDerWaalsContact OE2-CZ 3.26Å; E214-R289 IonicContact OE2-NH1 3.12Å; E214-R289 PolarHBondContact OE2-NH1 3.34Å; E214-R289 IonicContact OE2-NH2 3.67Å; E214-R289 PolarHBondContact OE2-NH2 2.87Å; R289-G293 WeakPolarHBondContact CD-O 3.04Å; R289-G293 PolarHBondContact NH1-O 3.42Å; R289-R294 CarbonylContact C-O 3.53Å; R289-R294 VanDerWaalsContact CA-O 3.25Å; R289-R294 WeakPolarHBondContact CA-O 3.38Å; R289-N337 PolarHBondContact N-OD1 3.37Å; R289-N337 PolarHBondContact O-OD1 3.02Å
290	L	89.1	Confident	89.7	Confident	56 Å²	56	46.2 Å²	46.2	29%	0.293	25%	0.249	S	C	.	.			trans	-70.3	164.4	166.5	-64.9	175.3	0	0	0	110.4	D292 G293 R294 D296	L290-D292 VanDerWaalsContact CB-OD1 3.3Å; L290-D292 WeakPolarHBondContact CB-OD1 3.15Å; L290-D292 PolarHBondContact O-N 3.28Å; L290-G293 PolarHBondContact O-N 2.88Å; L290-R294 PolarHBondContact N-O 3.24Å; L290-D296 HydrophobicContact CD2-CB 3.86Å; L290-D296 HydrophobicContact CG-CB 3.98Å
291	P	88.4	Confident	89.6	Confident	144 Å²	144	46 Å²	46	94%	0.935	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	176.7	-26.8	35.6	0	0	0	115	G293	P291-G293 VanDerWaalsContact C-N 3.34Å
292	D	87.3	Confident	89.4	Confident	95 Å²	95	46 Å²	46	51%	0.508	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.4	176.7	67.2	5.6	0	0	0	113.7	L290 R294	L290-D292 VanDerWaalsContact CB-OD1 3.3Å; L290-D292 WeakPolarHBondContact CB-OD1 3.15Å; L290-D292 PolarHBondContact O-N 3.28Å; D292-R294 WeakPolarHBondContact OD1-CB 2.98Å; D292-R294 PolarHBondContact OD1-N 3.32Å; D292-R294 VanDerWaalsContact OD1-N 3.09Å; D292-R294 IonicContact OD1-NE 4Å; D292-R294 IonicContact OD2-CZ 3.24Å; D292-R294 VanDerWaalsContact OD2-CZ 3.24Å; D292-R294 IonicContact OD2-NE 3.73Å; D292-R294 PolarHBondContact OD2-NE 3.37Å; D292-R294 IonicContact OD2-NH2 2.73Å; D292-R294 PolarHBondContact OD2-NH2 2.92Å
293	G	86	Confident	89.2	Confident	36 Å²	36	45.7 Å²	45.7	37%	0.371	25%	0.246	S	C	.	.	S	Bend	trans	87.7	-6.8	177.6	0	0	0	0	0	115.4	R289 L290 P291	R289-G293 WeakPolarHBondContact CD-O 3.04Å; R289-G293 PolarHBondContact NH1-O 3.42Å; L290-G293 PolarHBondContact O-N 2.88Å; P291-G293 VanDerWaalsContact C-N 3.34Å
294	R	88.1	Confident	89.2	Confident	101 Å²	101	42.1 Å²	42.1	38%	0.381	23%	0.233	S	C	.	.	S	Bend	trans	-75.6	153.5	177	-67.7	-175.4	-66	145	1.8	111.9	S220 R289 L290 D292 D296	S220-R294 PolarHBondContact OG-NH1 2.91Å; S220-R294 VanDerWaalsContact OG-NH1 3.07Å; R289-R294 CarbonylContact C-O 3.53Å; R289-R294 VanDerWaalsContact CA-O 3.25Å; R289-R294 WeakPolarHBondContact CA-O 3.38Å; L290-R294 PolarHBondContact N-O 3.24Å; D292-R294 WeakPolarHBondContact OD1-CB 2.98Å; D292-R294 PolarHBondContact OD1-N 3.32Å; D292-R294 VanDerWaalsContact OD1-N 3.09Å; D292-R294 IonicContact OD1-NE 4Å; D292-R294 IonicContact OD2-CZ 3.24Å; D292-R294 VanDerWaalsContact OD2-CZ 3.24Å; D292-R294 IonicContact OD2-NE 3.73Å; D292-R294 PolarHBondContact OD2-NE 3.37Å; D292-R294 IonicContact OD2-NH2 2.73Å; D292-R294 PolarHBondContact OD2-NH2 2.92Å; R294-D296 PolarHBondContact O-N 2.84Å
295	P	90.7	Very high	89.3	Confident	5 Å²	5	41 Å²	41	3%	0.032	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-57.9	135.4	174.7	-22.6	33	0	0	0	112.6	E214 M215 L221 L287 P288 R297	E214-P295 HydrophobicContact CB-CG 4.45Å; M215-P295 HydrophobicContact CG-CB 3.84Å; M215-P295 HydrophobicContact CG-CG 4.32Å; L221-P295 HydrophobicContact CD1-CB 3.88Å; L221-P295 HydrophobicContact CD1-CG 4.15Å; L287-P295 HydrophobicContact CD2-CB 3.67Å; L287-P295 HydrophobicContact CD2-CG 3.7Å; L287-P295 HydrophobicContact CG-CB 4.28Å; P288-P295 WeakPolarHBondContact O-CA 3.44Å; P295-R297 PolarHBondContact O-N 3.43Å
296	D	90.9	Very high	89.7	Confident	27 Å²	27	40.4 Å²	40.4	14%	0.144	22%	0.222	C	C	.	.			trans	-87.3	101.1	177.2	-176.2	-9.2	0	0	0	110.8	P288 L290 R294 S298 Y299 K310	P288-D296 PolarHBondContact O-N 3.33Å; L290-D296 HydrophobicContact CD2-CB 3.86Å; L290-D296 HydrophobicContact CG-CB 3.98Å; R294-D296 PolarHBondContact O-N 2.84Å; D296-S298 PolarHBondContact O-N 2.99Å; D296-S298 VanDerWaalsContact O-N 3.08Å; D296-S298 WeakPolarHBondContact OD1-CB 3.49Å; D296-S298 PolarHBondContact OD1-N 2.88Å; D296-S298 PolarHBondContact OD1-OG 2.92Å; D296-S298 PolarHBondContact OD2-OG 2.69Å; D296-S298 VanDerWaalsContact OD2-OG 3.09Å; D296-Y299 HydrophobicContact CB-CD2 3.72Å; D296-Y299 HydrophobicContact CB-CE2 3.86Å; D296-Y299 WeakPolarHBondContact O-CD2 3.33Å; D296-Y299 PolarHBondContact O-N 3.46Å; D296-Y299 WeakPolarHBondContact OD2-CE2 3.32Å; D296-K310 IonicContact OD2-NZ 3.76Å
297	R	88.6	Confident	90	Very high	54 Å²	54	39.1 Å²	39.1	20%	0.204	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.9	-20.3	178.1	-179	173.5	169.5	-165.5	-6	113.7	P62 L221 P295 Y299 F300	P62-R297 PolarHBondContact O-NH2 3.27Å; L221-R297 HydrophobicContact CD2-CB 4.33Å; L221-R297 WeakPolarHBondContact O-CD 3.46Å; L221-R297 PolarHBondContact O-NH1 2.85Å; P295-R297 PolarHBondContact O-N 3.43Å; R297-Y299 PolarHBondContact O-N 2.86Å; R297-Y299 VanDerWaalsContact O-N 3.11Å; R297-F300 PolarHBondContact O-N 3.1Å
298	S	89.9	Confident	90.3	Very high	58 Å²	58	39.2 Å²	39.2	41%	0.406	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-64.5	-16.5	-179.6	72.2	0	0	0	0	114.1	D296 F300 S308 K310	D296-S298 PolarHBondContact O-N 2.99Å; D296-S298 VanDerWaalsContact O-N 3.08Å; D296-S298 WeakPolarHBondContact OD1-CB 3.49Å; D296-S298 PolarHBondContact OD1-N 2.88Å; D296-S298 PolarHBondContact OD1-OG 2.92Å; D296-S298 PolarHBondContact OD2-OG 2.69Å; D296-S298 VanDerWaalsContact OD2-OG 3.09Å; S298-F300 VanDerWaalsContact C-N 3.3Å; S298-S308 PolarHBondContact O-OG 3.12Å; S298-K310 PolarHBondContact OG-NZ 3.38Å
299	Y	91.8	Very high	90.4	Very high	17 Å²	17	40.5 Å²	40.5	7%	0.067	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-82	-6.1	175.3	-71.2	-89.3	0	0	0	113.3	P288 D296 R297 S308 K310 S311 L314 F336	P288-Y299 HydrophobicContact CB-CD1 4.18Å; P288-Y299 HydrophobicContact CB-CD2 3.4Å; P288-Y299 VanDerWaalsContact CB-CD2 3.4Å; P288-Y299 HydrophobicContact CB-CE1 4.23Å; P288-Y299 HydrophobicContact CB-CE2 3.42Å; P288-Y299 VanDerWaalsContact CB-CE2 3.42Å; P288-Y299 HydrophobicContact CB-CG 3.77Å; P288-Y299 HydrophobicContact CG-CD1 3.87Å; P288-Y299 HydrophobicContact CG-CD2 3.91Å; P288-Y299 HydrophobicContact CG-CE1 4.21Å; P288-Y299 HydrophobicContact CG-CE2 4.2Å; P288-Y299 HydrophobicContact CG-CG 3.71Å; D296-Y299 HydrophobicContact CB-CD2 3.72Å; D296-Y299 HydrophobicContact CB-CE2 3.86Å; D296-Y299 WeakPolarHBondContact O-CD2 3.33Å; D296-Y299 PolarHBondContact O-N 3.46Å; D296-Y299 WeakPolarHBondContact OD2-CE2 3.32Å; R297-Y299 PolarHBondContact O-N 2.86Å; R297-Y299 VanDerWaalsContact O-N 3.11Å; Y299-S308 VanDerWaalsContact C-OG 3.27Å; Y299-S308 PolarHBondContact O-N 3.15Å; Y299-S308 PolarHBondContact O-OG 3.28Å; Y299-K310 HydrophobicContact CD1-CD 3.98Å; Y299-K310 HydrophobicContact CD1-CG 4.23Å; Y299-K310 HydrophobicContact CE1-CD 3.84Å; Y299-K310 VanDerWaalsContact CE1-CE 3.43Å; Y299-K310 HydrophobicContact CE1-CG 4.15Å; Y299-K310 HydrophobicContact CE2-CD 4.45Å; Y299-K310 HydrophobicContact CG-CD 4.33Å; Y299-K310 WeakPolarHBondContact OH-CE 3.47Å; Y299-K310 PolarHBondContact OH-NZ 3.11Å; Y299-S311 WeakPolarHBondContact CA-OG 3.2Å; Y299-S311 WeakPolarHBondContact CB-OG 3.32Å; Y299-S311 WeakPolarHBondContact CD1-OG 3.48Å; Y299-S311 VanDerWaalsContact O-CB 3.32Å; Y299-S311 WeakPolarHBondContact O-CB 3.49Å; Y299-S311 PolarHBondContact O-OG 3.38Å; Y299-L314 HydrophobicContact CD1-CD1 4.3Å; Y299-L314 HydrophobicContact CE1-CD1 3.71Å; Y299-F336 HydrophobicContact CE1-CB 4.26Å; Y299-F336 PolarHBondContact OH-O 2.94Å; Y299-F336 VanDerWaalsContact OH-O 3.09Å
300	F	92.3	Very high	90.5	Very high	25 Å²	25	39.2 Å²	39.2	11%	0.11	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-124.1	155.7	-176.3	-61.8	-92.3	0	0	0	111.7	M215 L287 R297 S298 H306 L307	M215-F300 HydrophobicContact CE-CB 4.41Å; M215-F300 HydrophobicContact CE-CD1 3.41Å; M215-F300 VanDerWaalsContact CE-CD1 3.41Å; M215-F300 HydrophobicContact CE-CD2 3.65Å; M215-F300 HydrophobicContact CE-CE1 3.38Å; M215-F300 HydrophobicContact CE-CE2 3.65Å; M215-F300 HydrophobicContact CE-CG 3.54Å; M215-F300 HydrophobicContact CE-CZ 3.5Å; M215-F300 HydrophobicContact SD-CD1 4.22Å; M215-F300 HydrophobicContact SD-CD2 3.28Å; M215-F300 WeakPolarHBondContact SD-CD2 3.48Å; M215-F300 HydrophobicContact SD-CE1 4.15Å; M215-F300 HydrophobicContact SD-CE2 3.21Å; M215-F300 WeakPolarHBondContact SD-CE2 3.45Å; M215-F300 HydrophobicContact SD-CG 3.81Å; M215-F300 HydrophobicContact SD-CZ 3.67Å; L287-F300 HydrophobicContact CD1-CE2 3.8Å; L287-F300 HydrophobicContact CD1-CZ 3.56Å; R297-F300 PolarHBondContact O-N 3.1Å; S298-F300 VanDerWaalsContact C-N 3.3Å; F300-H306 CarbonylContact C-O 3.56Å; F300-H306 WeakPolarHBondContact CA-O 3.47Å; F300-L307 HydrophobicContact CD1-CD2 3.9Å; F300-L307 HydrophobicContact CE1-CD2 3.68Å; F300-L307 HydrophobicContact CZ-CD2 4.37Å
301	S	92.1	Very high	90.7	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	20%	0.198	C	C	.	.			trans	-71.5	178.3	173.5	-64.2	0	0	0	0	111.2	G57 D303 C304 H306 L307	G57-S301 WeakPolarHBondContact O-CB 3.32Å; G57-S301 PolarHBondContact O-OG 2.85Å; S301-D303 PolarHBondContact O-N 3.3Å; S301-C304 PolarHBondContact O-N 3.05Å; S301-H306 PolarHBondContact N-O 2.94Å; S301-L307 PolarHBondContact OG-O 3.18Å
302	A	89.7	Confident	90.9	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.1	-175.1	0	0	0	0	0	115	S60 S61 P62 D64 I65 V68	S60-A302 PolarHBondContact OG-N 3.08Å; S61-A302 WeakPolarHBondContact O-CB 3.25Å; P62-A302 WeakPolarHBondContact O-CA 3.49Å; P62-A302 WeakPolarHBondContact O-CB 3.38Å; D64-A302 WeakPolarHBondContact O-CB 3.17Å; I65-A302 HydrophobicContact CG1-CB 4.39Å; V68-A302 HydrophobicContact CG2-CB 3.85Å
303	D	89.3	Confident	91.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.3	177.8	64.9	-9.4	0	0	0	114.7	V68 P224 L227 S301 F305 H306	V68-D303 HydrophobicContact CG1-CB 4.12Å; V68-D303 VanDerWaalsContact CG1-OD2 3.26Å; V68-D303 WeakPolarHBondContact CG1-OD2 3.17Å; V68-D303 HydrophobicContact CG2-CB 4.09Å; P224-D303 WeakPolarHBondContact CD-O 3.18Å; P224-D303 HydrophobicContact CG-CB 4.36Å; L227-D303 HydrophobicContact CD2-CB 3.85Å; S301-D303 PolarHBondContact O-N 3.3Å; D303-F305 PolarHBondContact O-N 3.04Å; D303-F305 PolarHBondContact OD1-N 3.17Å; D303-H306 PolarHBondContact OD1-N 3.44Å; D303-H306 IonicContact OD2-CE1 3.65Å; D303-H306 IonicContact OD2-CG 3.15Å; D303-H306 PolarHBondContact OD2-N 2.8Å; D303-H306 IonicContact OD2-ND1 2.72Å; D303-H306 PolarHBondContact OD2-ND1 3.47Å
304	C	90.1	Very high	91.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	53.7	30.1	-170.3	-57.1	0	0	0	0	113.5	M215 H216 C223 S301	M215-C304 HydrophobicContact CE-CB 4.21Å; M215-C304 WeakPolarHBondContact CE-O 3.48Å; H216-C304 PolarHBondContact NE2-O 3.22Å; C223-C304 WeakPolarHBondContact CA-SG 3.41Å; C223-C304 HydrophobicContact CB-CB 3.53Å; C223-C304 WeakPolarHBondContact CB-SG 3.46Å; C223-C304 WeakPolarHBondContact SG-CB 3.27Å; C223-C304 CovalentContact SG-SG 2.04Å; C223-C304 PolarHBondContact SG-SG 3.25Å; S301-C304 PolarHBondContact O-N 3.05Å
305	F	91.1	Very high	91.9	Very high	34 Å²	34	20.3 Å²	20.3	15%	0.149	10%	0.102	C	C	.	.	S	Bend	trans	-132.9	-55.3	179.7	176.3	-106.7	0	0	0	110.6	L212 V228 L231 C232 D303	L212-F305 HydrophobicContact CD1-CD2 4.3Å; L212-F305 HydrophobicContact CD2-CD2 3.58Å; L212-F305 HydrophobicContact CD2-CE2 3.66Å; V228-F305 HydrophobicContact CG1-CD2 4.11Å; V228-F305 HydrophobicContact CG2-CB 3.87Å; L231-F305 HydrophobicContact CD1-CD1 4.29Å; C232-F305 HydrophobicContact CB-CE2 3.96Å; C232-F305 HydrophobicContact CB-CZ 4.43Å; D303-F305 PolarHBondContact O-N 3.04Å; D303-F305 PolarHBondContact OD1-N 3.17Å
306	H	93.6	Very high	92.2	Very high	13 Å²	13	20.1 Å²	20.1	6%	0.06	10%	0.101	C	C	.	.	S	Bend	trans	-70.6	153.6	172.8	-68	91	0	0	0	110.9	S51 F300 S301 D303	S51-H306 WeakPolarHBondContact CB-NE2 3.4Å; S51-H306 PolarHBondContact OG-CD2 2.84Å; S51-H306 PolarHBondContact OG-NE2 3.29Å; F300-H306 CarbonylContact C-O 3.56Å; F300-H306 WeakPolarHBondContact CA-O 3.47Å; S301-H306 PolarHBondContact N-O 2.94Å; D303-H306 PolarHBondContact OD1-N 3.44Å; D303-H306 IonicContact OD2-CE1 3.65Å; D303-H306 IonicContact OD2-CG 3.15Å; D303-H306 PolarHBondContact OD2-N 2.8Å; D303-H306 IonicContact OD2-ND1 2.72Å; D303-H306 PolarHBondContact OD2-ND1 3.47Å
307	L	93.1	Very high	92.4	Very high	29 Å²	29	20.3 Å²	20.3	15%	0.152	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-84	135.3	-177.1	-64.6	179.5	0	0	0	111.3	L52 F300 S301 Q312 M315	L52-L307 HydrophobicContact CD1-CD1 4.39Å; L52-L307 HydrophobicContact CD2-CB 4.12Å; L52-L307 HydrophobicContact CD2-CD1 4.19Å; L52-L307 HydrophobicContact CD2-CG 3.9Å; F300-L307 HydrophobicContact CD1-CD2 3.9Å; F300-L307 HydrophobicContact CE1-CD2 3.68Å; F300-L307 HydrophobicContact CZ-CD2 4.37Å; S301-L307 PolarHBondContact OG-O 3.18Å; L307-Q312 HydrophobicContact CB-CG 4.09Å; L307-M315 HydrophobicContact CD1-CE 4.39Å; L307-M315 HydrophobicContact CD1-CG 4.48Å; L307-M315 HydrophobicContact CD1-SD 3.26Å; L307-M315 WeakPolarHBondContact CD1-SD 3.18Å
308	S	93.6	Very high	92.8	Very high	15 Å²	15	17.9 Å²	17.9	11%	0.105	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-69.4	169.1	175.4	75.8	0	0	0	0	111.7	S298 Y299 K310 S311 Q312	S298-S308 PolarHBondContact O-OG 3.12Å; Y299-S308 VanDerWaalsContact C-OG 3.27Å; Y299-S308 PolarHBondContact O-N 3.15Å; Y299-S308 PolarHBondContact O-OG 3.28Å; S308-K310 PolarHBondContact O-N 3.24Å; S308-K310 VanDerWaalsContact O-N 3.12Å; S308-K310 WeakPolarHBondContact OG-CB 3.15Å; S308-K310 PolarHBondContact OG-N 2.57Å; S308-S311 PolarHBondContact O-N 3.32Å; S308-S311 VanDerWaalsContact O-N 3.11Å; S308-Q312 WeakPolarHBondContact O-CB 3.45Å; S308-Q312 VanDerWaalsContact O-CG 3.32Å; S308-Q312 WeakPolarHBondContact O-CG 3.24Å; S308-Q312 PolarHBondContact O-N 2.76Å
309	Q	92.9	Very high	93.1	Very high	34 Å²	34	15.1 Å²	15.1	16%	0.159	7%	0.071	C	C	.	.	H	α-helix	trans	-54.1	-30.8	172.7	-164.6	178.3	2.7	0	0	113.4	T15 I58 T313	T15-Q309 HydrophobicContact CG2-CG 4.16Å; T15-Q309 PolarHBondContact OG1-NE2 3.06Å; I58-Q309 HydrophobicContact CG2-CB 3.67Å; I58-Q309 HydrophobicContact CG2-CG 3.99Å; I58-Q309 PolarHBondContact O-N 3.18Å; Q309-T313 WeakPolarHBondContact O-CB 3.33Å; Q309-T313 PolarHBondContact O-N 3.21Å; Q309-T313 PolarHBondContact O-OG1 3.45Å
310	K	91.9	Very high	93.4	Very high	75 Å²	75	14.4 Å²	14.4	33%	0.326	7%	0.069	S	C	.	.	H	α-helix	trans	-63.5	-51.3	176	-174.9	-175	-179.4	-169.3	0	111.2	D296 S298 Y299 S308 T313 L314	D296-K310 IonicContact OD2-NZ 3.76Å; S298-K310 PolarHBondContact OG-NZ 3.38Å; Y299-K310 HydrophobicContact CD1-CD 3.98Å; Y299-K310 HydrophobicContact CD1-CG 4.23Å; Y299-K310 HydrophobicContact CE1-CD 3.84Å; Y299-K310 VanDerWaalsContact CE1-CE 3.43Å; Y299-K310 HydrophobicContact CE1-CG 4.15Å; Y299-K310 HydrophobicContact CE2-CD 4.45Å; Y299-K310 HydrophobicContact CG-CD 4.33Å; Y299-K310 WeakPolarHBondContact OH-CE 3.47Å; Y299-K310 PolarHBondContact OH-NZ 3.11Å; S308-K310 PolarHBondContact O-N 3.24Å; S308-K310 VanDerWaalsContact O-N 3.12Å; S308-K310 WeakPolarHBondContact OG-CB 3.15Å; S308-K310 PolarHBondContact OG-N 2.57Å; K310-T313 WeakPolarHBondContact O-CB 3.25Å; K310-T313 PolarHBondContact O-N 3.04Å; K310-L314 PolarHBondContact O-N 3.49Å
311	S	92.2	Very high	93.5	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-40.4	179.1	-68.2	0	0	0	0	112.6	Y299 S308 T313 L314 M315	Y299-S311 WeakPolarHBondContact CA-OG 3.2Å; Y299-S311 WeakPolarHBondContact CB-OG 3.32Å; Y299-S311 WeakPolarHBondContact CD1-OG 3.48Å; Y299-S311 VanDerWaalsContact O-CB 3.32Å; Y299-S311 WeakPolarHBondContact O-CB 3.49Å; Y299-S311 PolarHBondContact O-OG 3.38Å; S308-S311 PolarHBondContact O-N 3.32Å; S308-S311 VanDerWaalsContact O-N 3.11Å; S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 2.99Å; S311-L314 PolarHBondContact O-N 3.37Å; S311-L314 VanDerWaalsContact O-N 3.07Å; S311-M315 WeakPolarHBondContact O-CG 3.4Å; S311-M315 PolarHBondContact O-N 3.21Å
312	Q	94.2	Very high	93.7	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-38	175.9	-71.4	-89.8	-18.8	0	0	111.7	L52 I58 W77 L307 S308 M315 A316	L52-Q312 PolarHBondContact O-NE2 3.38Å; I58-Q312 HydrophobicContact CD1-CB 4.36Å; I58-Q312 VanDerWaalsContact CD1-CD 3.5Å; I58-Q312 HydrophobicContact CD1-CG 3.7Å; I58-Q312 HydrophobicContact CG1-CG 3.94Å; W77-Q312 HydrophobicContact CB-CB 4.23Å; W77-Q312 WeakPolarHBondContact CB-O 3.5Å; W77-Q312 VanDerWaalsContact CG-OE1 3.3Å; L307-Q312 HydrophobicContact CB-CG 4.09Å; S308-Q312 WeakPolarHBondContact O-CB 3.45Å; S308-Q312 VanDerWaalsContact O-CG 3.32Å; S308-Q312 WeakPolarHBondContact O-CG 3.24Å; S308-Q312 PolarHBondContact O-N 2.76Å; Q312-M315 PolarHBondContact O-N 3.14Å; Q312-A316 PolarHBondContact O-N 3.09Å
313	T	93.6	Very high	94.1	Very high	12 Å²	12	13.4 Å²	13.4	7%	0.074	6%	0.064	C	C	.	.	H	α-helix	trans	-59.4	-46.4	170.7	-67.6	0	0	0	0	111.5	T89 Q309 K310 S311 M315 A316 R317	T89-T313 HydrophobicContact CG2-CG2 4.19Å; Q309-T313 WeakPolarHBondContact O-CB 3.33Å; Q309-T313 PolarHBondContact O-N 3.21Å; Q309-T313 PolarHBondContact O-OG1 3.45Å; K310-T313 WeakPolarHBondContact O-CB 3.25Å; K310-T313 PolarHBondContact O-N 3.04Å; S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 2.99Å; T313-M315 PolarHBondContact O-N 2.04Å; T313-A316 PolarHBondContact O-N 2.92Å; T313-R317 WeakPolarHBondContact O-CG 3.25Å; T313-R317 PolarHBondContact O-N 3.15Å
314	L	94	Very high	94.4	Very high	17 Å²	17	14.4 Å²	14.4	9%	0.089	7%	0.069	C	C	.	.	H	α-helix	trans	-66.5	-36.3	178.6	-64.1	175.7	0	0	0	112.4	Y299 K310 S311 R317 S318 F336 F340	Y299-L314 HydrophobicContact CD1-CD1 4.3Å; Y299-L314 HydrophobicContact CE1-CD1 3.71Å; K310-L314 PolarHBondContact O-N 3.49Å; S311-L314 PolarHBondContact O-N 3.37Å; S311-L314 VanDerWaalsContact O-N 3.07Å; L314-R317 PolarHBondContact O-N 2.81Å; L314-S318 WeakPolarHBondContact O-CB 3.3Å; L314-S318 PolarHBondContact O-N 3.03Å; L314-S318 PolarHBondContact O-OG 2.91Å; L314-F336 HydrophobicContact CB-CD1 4.07Å; L314-F336 HydrophobicContact CB-CD2 4.03Å; L314-F336 HydrophobicContact CB-CE1 3.91Å; L314-F336 HydrophobicContact CB-CE2 3.88Å; L314-F336 HydrophobicContact CB-CG 4.13Å; L314-F336 HydrophobicContact CB-CZ 3.82Å; L314-F336 HydrophobicContact CD1-CB 3.7Å; L314-F336 HydrophobicContact CD1-CD1 4.19Å; L314-F336 HydrophobicContact CD1-CD2 3.8Å; L314-F336 HydrophobicContact CD1-CE2 4.48Å; L314-F336 HydrophobicContact CD1-CG 3.63Å; L314-F340 HydrophobicContact CB-CZ 4.43Å; L314-F340 HydrophobicContact CD2-CE1 3.94Å; L314-F340 HydrophobicContact CD2-CZ 4.14Å
315	M	94.8	Very high	94.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-42.6	172.4	-69	176.5	76.1	0	0	112	W77 F160 F281 L282 L307 S311 Q312 T313 R317 S318 L319 F336	W77-M315 HydrophobicContact CB-CB 4.09Å; W77-M315 HydrophobicContact CD2-CB 3.95Å; W77-M315 HydrophobicContact CD2-CE 3.93Å; W77-M315 HydrophobicContact CE3-CB 3.76Å; W77-M315 HydrophobicContact CE3-CE 4.37Å; W77-M315 HydrophobicContact CG-CB 4.13Å; W77-M315 HydrophobicContact CG-CE 4.37Å; W77-M315 HydrophobicContact CG-SD 4.47Å; W77-M315 HydrophobicContact CH2-CE 4.25Å; W77-M315 HydrophobicContact CZ2-CE 3.85Å; W77-M315 HydrophobicContact CZ3-CB 4.42Å; W77-M315 HydrophobicContact CZ3-CE 4.5Å; F160-M315 HydrophobicContact CE1-CE 4.33Å; F281-M315 HydrophobicContact CE2-CB 4.33Å; F281-M315 HydrophobicContact CE2-CG 4.44Å; L282-M315 HydrophobicContact CD1-CE 3.9Å; L307-M315 HydrophobicContact CD1-CE 4.39Å; L307-M315 HydrophobicContact CD1-CG 4.48Å; L307-M315 HydrophobicContact CD1-SD 3.26Å; L307-M315 WeakPolarHBondContact CD1-SD 3.18Å; S311-M315 WeakPolarHBondContact O-CG 3.4Å; S311-M315 PolarHBondContact O-N 3.21Å; Q312-M315 PolarHBondContact O-N 3.14Å; T313-M315 PolarHBondContact O-N 2.04Å; M315-R317 PolarHBondContact O-N 3.31Å; M315-S318 PolarHBondContact O-N 3.24Å; M315-L319 WeakPolarHBondContact O-CB 3.47Å; M315-L319 PolarHBondContact O-N 2.95Å; M315-F336 HydrophobicContact CG-CE2 4.26Å; M315-F336 HydrophobicContact CG-CZ 4.02Å
316	A	96.9	Very high	94.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-43.7	176.4	0	0	0	0	0	111.9	W77 T89 Q312 T313 W320	W77-A316 HydrophobicContact CB-CB 4.21Å; W77-A316 VanDerWaalsContact O-CB 3.31Å; W77-A316 WeakPolarHBondContact O-CB 3.11Å; T89-A316 HydrophobicContact CG2-CB 4.39Å; Q312-A316 PolarHBondContact O-N 3.09Å; T313-A316 PolarHBondContact O-N 2.92Å; A316-W320 WeakPolarHBondContact O-CB 3.23Å; A316-W320 PolarHBondContact O-N 2.91Å
317	R	95.3	Very high	94.6	Very high	32 Å²	32	16.1 Å²	16.1	12%	0.121	8%	0.084	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.1	-63.5	174.1	83.4	166.1	13.3	111.8	T89 T313 L314 M315 W320 N321 F340 D341 L342	T89-R317 HydrophobicContact CG2-CG 3.85Å; T313-R317 WeakPolarHBondContact O-CG 3.25Å; T313-R317 PolarHBondContact O-N 3.15Å; L314-R317 PolarHBondContact O-N 2.81Å; M315-R317 PolarHBondContact O-N 3.31Å; R317-W320 PolarHBondContact O-N 3.25Å; R317-N321 WeakPolarHBondContact O-CB 3.35Å; R317-N321 PolarHBondContact O-N 3.48Å; R317-F340 HydrophobicContact CB-CE2 3.65Å; R317-F340 HydrophobicContact CB-CZ 4.21Å; R317-F340 PolarHBondContact NE-O 3.24Å; R317-F340 VanDerWaalsContact NE-O 3.12Å; R317-F340 PolarHBondContact NH2-O 3.46Å; R317-D341 IonicContact NH2-OD1 3.58Å; R317-D341 PolarHBondContact NH2-OD1 2.88Å; R317-L342 HydrophobicContact CB-CD2 3.84Å; R317-L342 HydrophobicContact CG-CD2 3.8Å; R317-L342 HydrophobicContact CG-CG 4.39Å
318	S	95.5	Very high	94.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-48.7	179.4	-55.8	0	0	0	0	111	L314 M315 W320 N321 N322 F340	L314-S318 WeakPolarHBondContact O-CB 3.3Å; L314-S318 PolarHBondContact O-N 3.03Å; L314-S318 PolarHBondContact O-OG 2.91Å; M315-S318 PolarHBondContact O-N 3.24Å; S318-W320 PolarHBondContact O-N 3.03Å; S318-N321 PolarHBondContact O-N 3.23Å; S318-N322 VanDerWaalsContact O-CB 3.22Å; S318-N322 WeakPolarHBondContact O-CB 2.99Å; S318-N322 PolarHBondContact O-N 3.45Å; S318-F340 WeakPolarHBondContact OG-CZ 3.34Å
319	L	97.3	Very high	94.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-45.2	177.2	174.4	60.1	0	0	0	112.4	W77 C78 L91 T158 N202 V204 Q279 F281 M315 N321 N322 M323	W77-L319 HydrophobicContact CE3-CB 4.35Å; W77-L319 HydrophobicContact CE3-CD2 4.06Å; W77-L319 HydrophobicContact CH2-CD2 4.11Å; W77-L319 HydrophobicContact CZ3-CB 3.75Å; W77-L319 HydrophobicContact CZ3-CD2 3.41Å; W77-L319 VanDerWaalsContact CZ3-CD2 3.41Å; W77-L319 HydrophobicContact CZ3-CG 4.12Å; C78-L319 HydrophobicContact CB-CD2 4.14Å; L91-L319 HydrophobicContact CD2-CD2 3.78Å; T158-L319 HydrophobicContact CG2-CD2 4.37Å; N202-L319 HydrophobicContact CB-CD1 4.4Å; V204-L319 HydrophobicContact CG2-CD1 4.35Å; Q279-L319 HydrophobicContact CB-CD1 3.94Å; Q279-L319 HydrophobicContact CG-CD1 3.59Å; F281-L319 HydrophobicContact CE1-CB 3.89Å; F281-L319 HydrophobicContact CE1-CD1 4.2Å; F281-L319 HydrophobicContact CZ-CB 4.15Å; M315-L319 WeakPolarHBondContact O-CB 3.47Å; M315-L319 PolarHBondContact O-N 2.95Å; L319-N321 PolarHBondContact O-N 3.45Å; L319-N322 PolarHBondContact O-N 2.95Å; L319-M323 HydrophobicContact CD1-CG 4.18Å; L319-M323 HydrophobicContact CD1-SD 4.41Å; L319-M323 HydrophobicContact CG-SD 4.35Å; L319-M323 WeakPolarHBondContact O-CB 3.02Å; L319-M323 VanDerWaalsContact O-CG 3.29Å; L319-M323 WeakPolarHBondContact O-CG 3.33Å; L319-M323 PolarHBondContact O-N 2.81Å
320	W	97.1	Very high	94.2	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-49.8	175.8	174.5	-96.7	0	0	0	112	P39 L91 I94 L95 F98 A316 R317 S318 N322 M323 L324 L342 K343	P39-W320 HydrophobicContact CB-CH2 3.67Å; P39-W320 HydrophobicContact CB-CZ3 4.26Å; P39-W320 HydrophobicContact CG-CH2 3.75Å; P39-W320 HydrophobicContact CG-CZ2 4.46Å; L91-W320 HydrophobicContact CD1-CE3 3.94Å; I94-W320 HydrophobicContact CB-CE3 4.32Å; I94-W320 HydrophobicContact CD1-CB 3.83Å; I94-W320 HydrophobicContact CD1-CD2 4.49Å; I94-W320 HydrophobicContact CD1-CG 4.09Å; I94-W320 HydrophobicContact CG2-CD2 3.5Å; I94-W320 VanDerWaalsContact CG2-CD2 3.5Å; I94-W320 HydrophobicContact CG2-CE3 3.51Å; I94-W320 HydrophobicContact CG2-CG 4.11Å; I94-W320 HydrophobicContact CG2-CH2 3.89Å; I94-W320 HydrophobicContact CG2-CZ2 3.91Å; I94-W320 HydrophobicContact CG2-CZ3 3.71Å; L95-W320 HydrophobicContact CD2-CZ3 3.85Å; L95-W320 HydrophobicContact CG-CZ3 4.37Å; F98-W320 AromaticContact CD2-CH2 3.89Å; F98-W320 HydrophobicContact CD2-CH2 3.89Å; F98-W320 HydrophobicContact CD2-CZ2 4.47Å; F98-W320 AromaticContact CE2-CH2 3.27Å; F98-W320 HydrophobicContact CE2-CH2 3.27Å; F98-W320 AromaticContact CE2-CZ2 3.45Å; F98-W320 HydrophobicContact CE2-CZ2 3.45Å; F98-W320 VanDerWaalsContact CE2-CZ2 3.45Å; F98-W320 HydrophobicContact CE2-CZ3 4.35Å; F98-W320 AromaticContact CZ-CH2 3.83Å; F98-W320 HydrophobicContact CZ-CH2 3.83Å; F98-W320 AromaticContact CZ-CZ2 3.69Å; F98-W320 HydrophobicContact CZ-CZ2 3.69Å; A316-W320 WeakPolarHBondContact O-CB 3.23Å; A316-W320 PolarHBondContact O-N 2.91Å; R317-W320 PolarHBondContact O-N 3.25Å; S318-W320 PolarHBondContact O-N 3.03Å; W320-N322 VanDerWaalsContact C-N 3.3Å; W320-N322 PolarHBondContact O-N 3.4Å; W320-M323 WeakPolarHBondContact O-CB 3.45Å; W320-M323 PolarHBondContact O-N 2.78Å; W320-L324 HydrophobicContact CZ2-CD1 4.01Å; W320-L324 PolarHBondContact O-N 3.36Å; W320-L342 HydrophobicContact CB-CD2 4.07Å; W320-L342 HydrophobicContact CG-CD2 3.99Å; W320-K343 PolarHBondContact NE1-O 3.42Å
321	N	95.8	Very high	94.3	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-42	179	-75.3	-1.6	0	0	0	111.5	R317 S318 L319 M323 L324 E325 D341 L342 K343	R317-N321 WeakPolarHBondContact O-CB 3.35Å; R317-N321 PolarHBondContact O-N 3.48Å; S318-N321 PolarHBondContact O-N 3.23Å; L319-N321 PolarHBondContact O-N 3.45Å; N321-M323 PolarHBondContact O-N 3.21Å; N321-L324 PolarHBondContact O-N 2.81Å; N321-L324 VanDerWaalsContact O-N 3.09Å; N321-E325 WeakPolarHBondContact O-CG 3.38Å; N321-E325 PolarHBondContact O-N 2.81Å; N321-D341 PolarHBondContact ND2-O 3.42Å; N321-L342 WeakPolarHBondContact OD1-CA 3.36Å; N321-K343 HydrophobicContact CB-CD 4.1Å; N321-K343 HydrophobicContact CB-CG 4.31Å; N321-K343 PolarHBondContact OD1-N 2.89Å
322	N	96.4	Very high	94.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-34.5	-179.1	-148.8	-124.4	0	0	0	112.2	Q279 P280 F281 S318 L319 W320 L324 E325 K330 T331	Q279-N322 WeakPolarHBondContact CA-OD1 3.17Å; Q279-N322 VanDerWaalsContact OE1-C 3.27Å; Q279-N322 PolarHBondContact OE1-O 2.86Å; Q279-N322 PolarHBondContact OE1-OD1 2.95Å; P280-N322 WeakPolarHBondContact CD-OD1 3.34Å; F281-N322 HydrophobicContact CD1-CB 4.37Å; S318-N322 VanDerWaalsContact O-CB 3.22Å; S318-N322 WeakPolarHBondContact O-CB 2.99Å; S318-N322 PolarHBondContact O-N 3.45Å; L319-N322 PolarHBondContact O-N 2.95Å; W320-N322 VanDerWaalsContact C-N 3.3Å; W320-N322 PolarHBondContact O-N 3.4Å; N322-L324 PolarHBondContact O-N 3.13Å; N322-E325 PolarHBondContact ND2-OE2 3.07Å; N322-E325 PolarHBondContact O-N 2.68Å; N322-K330 PolarHBondContact O-NZ 3.38Å; N322-T331 PolarHBondContact ND2-N 2.9Å; N322-T331 PolarHBondContact ND2-O 2.79Å
323	M	97.3	Very high	93.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-25.2	170.9	-76	178.5	67.2	0	0	113.3	L91 L156 L200 N202 L319 W320 N321 I352 R353	L91-M323 HydrophobicContact CD1-SD 4.14Å; L156-M323 HydrophobicContact CD1-CE 3.84Å; L156-M323 HydrophobicContact CD2-CE 3.7Å; L156-M323 HydrophobicContact CD2-SD 4.27Å; L156-M323 HydrophobicContact CG-CE 4.44Å; L200-M323 HydrophobicContact CD2-CE 4.35Å; N202-M323 PolarHBondContact ND2-SD 3.45Å; L319-M323 HydrophobicContact CD1-CG 4.18Å; L319-M323 HydrophobicContact CD1-SD 4.41Å; L319-M323 HydrophobicContact CG-SD 4.35Å; L319-M323 WeakPolarHBondContact O-CB 3.02Å; L319-M323 VanDerWaalsContact O-CG 3.29Å; L319-M323 WeakPolarHBondContact O-CG 3.33Å; L319-M323 PolarHBondContact O-N 2.81Å; W320-M323 WeakPolarHBondContact O-CB 3.45Å; W320-M323 PolarHBondContact O-N 2.78Å; N321-M323 PolarHBondContact O-N 3.21Å; M323-I352 HydrophobicContact CB-CG2 4.19Å; M323-I352 HydrophobicContact CE-CD1 3.89Å; M323-I352 HydrophobicContact CE-CG1 4.35Å; M323-I352 HydrophobicContact CE-CG2 3.77Å; M323-R353 WeakPolarHBondContact O-CB 3.49Å; M323-R353 PolarHBondContact O-N 3.17Å
324	L	95.1	Very high	93.4	Very high	21 Å²	21	25 Å²	25	11%	0.11	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.6	178.6	-61.4	-176.8	0	0	0	113.6	W320 N321 N322 K343 R353	W320-L324 HydrophobicContact CZ2-CD1 4.01Å; W320-L324 PolarHBondContact O-N 3.36Å; N321-L324 PolarHBondContact O-N 2.81Å; N321-L324 VanDerWaalsContact O-N 3.09Å; N322-L324 PolarHBondContact O-N 3.13Å; L324-K343 HydrophobicContact CD1-CB 4.09Å; L324-K343 VanDerWaalsContact CD1-O 3.31Å; L324-K343 WeakPolarHBondContact CD1-O 3.32Å; L324-R353 VanDerWaalsContact C-CG 3.46Å; L324-R353 VanDerWaalsContact O-CG 3.25Å; L324-R353 WeakPolarHBondContact O-CG 3.42Å
325	E	94.7	Very high	93	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.061	18%	0.175	C	C	.	.	S	Bend	trans	-89.4	135.6	177.3	-74.5	164.3	178.1	0	0	111.7	N321 N322 V327 K330 T331 K343 R353	N321-E325 WeakPolarHBondContact O-CG 3.38Å; N321-E325 PolarHBondContact O-N 2.81Å; N322-E325 PolarHBondContact ND2-OE2 3.07Å; N322-E325 PolarHBondContact O-N 2.68Å; E325-V327 PolarHBondContact O-N 3.11Å; E325-K330 HydrophobicContact CB-CG 4.13Å; E325-K330 PolarHBondContact O-NZ 3.25Å; E325-K330 WeakPolarHBondContact OE2-CA 3.46Å; E325-T331 VanDerWaalsContact CD-OG1 3.29Å; E325-T331 PolarHBondContact OE1-OG1 2.87Å; E325-T331 WeakPolarHBondContact OE2-CB 3.38Å; E325-T331 PolarHBondContact OE2-N 3.31Å; E325-T331 PolarHBondContact OE2-OG1 3.48Å; E325-T331 VanDerWaalsContact OE2-OG1 3.08Å; E325-K343 IonicContact OE1-NZ 3.41Å; E325-K343 PolarHBondContact OE1-NZ 3.17Å; E325-R353 WeakPolarHBondContact O-CB 3.22Å; E325-R353 WeakPolarHBondContact O-CG 3.43Å
326	P	93.4	Very high	92.7	Very high	46 Å²	46	27.6 Å²	27.6	30%	0.299	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-53.6	138.4	177.5	-24.7	33.2	0	0	0	112.4	G328 S329 K330 S358	P326-G328 PolarHBondContact O-N 2.92Å; P326-S329 CarbonylContact O-C 3.54Å; P326-S329 PolarHBondContact O-N 2.91Å; P326-K330 WeakPolarHBondContact O-CG 3.49Å; P326-K330 PolarHBondContact O-N 2.91Å; P326-S358 WeakPolarHBondContact CA-OG 3.44Å
327	V	90.9	Very high	92	Very high	25 Å²	25	30.9 Å²	30.9	15%	0.152	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	132.7	171.3	178.1	0	0	0	0	109.1	V277 E325 T354 S358 Y360	V277-V327 HydrophobicContact CG1-CG2 4.25Å; E325-V327 PolarHBondContact O-N 3.11Å; V327-T354 VanDerWaalsContact CG2-C 3.45Å; V327-S358 VanDerWaalsContact N-CB 3.34Å; V327-S358 PolarHBondContact N-OG 3.4Å; V327-Y360 HydrophobicContact CB-CG 4.37Å; V327-Y360 HydrophobicContact CG1-CD1 3.93Å; V327-Y360 HydrophobicContact CG1-CD2 4.01Å; V327-Y360 HydrophobicContact CG1-CE1 4.18Å; V327-Y360 HydrophobicContact CG1-CE2 4.29Å; V327-Y360 HydrophobicContact CG1-CG 3.81Å
328	G	86.5	Confident	91.3	Very high	61 Å²	61	32.4 Å²	32.4	63%	0.629	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	-10.3	-170.7	0	0	0	0	0	114.7	P326	P326-G328 PolarHBondContact O-N 2.92Å
329	S	91.7	Very high	90.4	Very high	93 Å²	93	37 Å²	37	65%	0.65	25%	0.248	S	C	*	.	S	Bend	trans	-135.1	24.9	175.1	-59	0	0	0	0	112.5	P326	P326-S329 CarbonylContact O-C 3.54Å; P326-S329 PolarHBondContact O-N 2.91Å
330	K	93.6	Very high	89.9	Confident	28 Å²	28	38.3 Å²	38.3	12%	0.122	25%	0.253	C	S	.	.			trans	-71	139.5	174.6	-68.6	-168.9	-175.5	-63.3	0	110.6	V277 I278 P280 N322 E325 P326 S332	V277-K330 VanDerWaalsContact CG1-CE 3.41Å; I278-K330 VanDerWaalsContact O-CD 3.26Å; I278-K330 WeakPolarHBondContact O-CD 3.36Å; I278-K330 WeakPolarHBondContact O-CE 3.48Å; P280-K330 HydrophobicContact CG-CB 4.03Å; N322-K330 PolarHBondContact O-NZ 3.38Å; E325-K330 HydrophobicContact CB-CG 4.13Å; E325-K330 PolarHBondContact O-NZ 3.25Å; E325-K330 WeakPolarHBondContact OE2-CA 3.46Å; P326-K330 WeakPolarHBondContact O-CG 3.49Å; P326-K330 PolarHBondContact O-N 2.91Å; K330-S332 PolarHBondContact O-N 3.25Å
331	T	93.8	Very high	89.5	Confident	42 Å²	42	44.1 Å²	44.1	26%	0.258	29%	0.285	S	S	.	.			trans	-60.8	125.6	174	-58.8	0	0	0	0	110.1	F281 N322 E325 S333	F281-T331 WeakPolarHBondContact CA-O 2.85Å; F281-T331 PolarHBondContact N-O 2.93Å; N322-T331 PolarHBondContact ND2-N 2.9Å; N322-T331 PolarHBondContact ND2-O 2.79Å; E325-T331 VanDerWaalsContact CD-OG1 3.29Å; E325-T331 PolarHBondContact OE1-OG1 2.87Å; E325-T331 WeakPolarHBondContact OE2-CB 3.38Å; E325-T331 PolarHBondContact OE2-N 3.31Å; E325-T331 PolarHBondContact OE2-OG1 3.48Å; E325-T331 VanDerWaalsContact OE2-OG1 3.08Å; T331-S333 VanDerWaalsContact CG2-O 3.26Å; T331-S333 WeakPolarHBondContact CG2-O 3.08Å
332	S	91.2	Very high	89.3	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	29%	0.285	S	S	.	.	S	Bend	trans	-104.5	-11.9	178.5	64	0	0	0	0	114.2	P280 R283 D284 K330	P280-S332 CarbonylContact O-C 3.58Å; P280-S332 VanDerWaalsContact O-CA 3.29Å; P280-S332 WeakPolarHBondContact O-CA 3.42Å; P280-S332 VanDerWaalsContact O-O 3.08Å; R283-S332 WeakPolarHBondContact CB-O 3.09Å; R283-S332 PolarHBondContact N-O 3.07Å; D284-S332 PolarHBondContact N-O 3.44Å; K330-S332 PolarHBondContact O-N 3.25Å
333	S	86.1	Confident	89.1	Confident	59 Å²	59	48.5 Å²	48.5	41%	0.413	30%	0.304	S	S	.	.			trans	-139.2	118.3	177.6	-171.1	0	0	0	0	108.9	D284 T331	D284-S333 PolarHBondContact O-OG 3.38Å; T331-S333 VanDerWaalsContact CG2-O 3.26Å; T331-S333 WeakPolarHBondContact CG2-O 3.08Å
334	Q	84.8	Confident	88.8	Confident	31 Å²	31	50.6 Å²	50.6	15%	0.145	32%	0.318	C	S	.	.			trans	-109.3	124.9	173.2	-172.6	64.3	58.1	0	0	109.7	F336 F340	Q334-F336 HydrophobicContact CB-CD1 4.26Å; Q334-F336 HydrophobicContact CB-CE1 4Å; Q334-F336 HydrophobicContact CG-CD1 3.95Å; Q334-F336 HydrophobicContact CG-CE1 3.87Å; Q334-F336 PolarHBondContact O-N 3.43Å; Q334-F340 HydrophobicContact CG-CD1 4.14Å; Q334-F340 HydrophobicContact CG-CE1 3.48Å; Q334-F340 VanDerWaalsContact CG-CE1 3.48Å; Q334-F340 HydrophobicContact CG-CE2 4.18Å; Q334-F340 HydrophobicContact CG-CZ 3.51Å
335	D	85.2	Confident	88.3	Confident	62 Å²	62	51 Å²	51	33%	0.332	32%	0.322	S	S	.	.			trans	-78.4	112.6	172	177.1	23.5	0	0	0	110.1	N337 S338	D335-N337 VanDerWaalsContact C-N 3.32Å; D335-N337 WeakPolarHBondContact OD1-CB 3.5Å; D335-N337 PolarHBondContact OD1-N 3.24Å; D335-N337 PolarHBondContact OD1-ND2 3.13Å; D335-S338 WeakPolarHBondContact OD2-CB 3.48Å; D335-S338 PolarHBondContact OD2-N 3Å; D335-S338 PolarHBondContact OD2-OG 3.48Å
336	F	88.2	Confident	87.7	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.044	34%	0.343	C	S	.	.	S	Bend	trans	-80.6	-11.7	179	-81	17.6	0	0	0	113.1	I285 P288 Y299 L314 M315 Q334 S338 F340	I285-F336 HydrophobicContact CD1-CD1 4.49Å; I285-F336 HydrophobicContact CD1-CD2 4.18Å; I285-F336 HydrophobicContact CD1-CE1 4.14Å; I285-F336 HydrophobicContact CD1-CE2 3.79Å; I285-F336 HydrophobicContact CD1-CZ 3.77Å; P288-F336 HydrophobicContact CG-CB 3.97Å; Y299-F336 HydrophobicContact CE1-CB 4.26Å; Y299-F336 PolarHBondContact OH-O 2.94Å; Y299-F336 VanDerWaalsContact OH-O 3.09Å; L314-F336 HydrophobicContact CB-CD1 4.07Å; L314-F336 HydrophobicContact CB-CD2 4.03Å; L314-F336 HydrophobicContact CB-CE1 3.91Å; L314-F336 HydrophobicContact CB-CE2 3.88Å; L314-F336 HydrophobicContact CB-CG 4.13Å; L314-F336 HydrophobicContact CB-CZ 3.82Å; L314-F336 HydrophobicContact CD1-CB 3.7Å; L314-F336 HydrophobicContact CD1-CD1 4.19Å; L314-F336 HydrophobicContact CD1-CD2 3.8Å; L314-F336 HydrophobicContact CD1-CE2 4.48Å; L314-F336 HydrophobicContact CD1-CG 3.63Å; M315-F336 HydrophobicContact CG-CE2 4.26Å; M315-F336 HydrophobicContact CG-CZ 4.02Å; Q334-F336 HydrophobicContact CB-CD1 4.26Å; Q334-F336 HydrophobicContact CB-CE1 4Å; Q334-F336 HydrophobicContact CG-CD1 3.95Å; Q334-F336 HydrophobicContact CG-CE1 3.87Å; Q334-F336 PolarHBondContact O-N 3.43Å; F336-S338 VanDerWaalsContact C-N 3.32Å; F336-F340 HydrophobicContact CD1-CE1 4.47Å
337	N	83	Confident	87	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	36%	0.364	S	S	.	.	S	Bend	trans	-76.3	-24.6	173.5	-59.9	-66.3	0	0	0	112.4	P288 R289 D335	P288-N337 VanDerWaalsContact CA-OD1 3.31Å; P288-N337 WeakPolarHBondContact CA-OD1 3.49Å; P288-N337 WeakPolarHBondContact CB-OD1 3.42Å; R289-N337 PolarHBondContact N-OD1 3.37Å; R289-N337 PolarHBondContact O-OD1 3.02Å; D335-N337 VanDerWaalsContact C-N 3.32Å; D335-N337 WeakPolarHBondContact OD1-CB 3.5Å; D335-N337 PolarHBondContact OD1-N 3.24Å; D335-N337 PolarHBondContact OD1-ND2 3.13Å
338	S	80.7	Confident	86.4	Confident	64 Å²	64	64.8 Å²	64.8	45%	0.448	40%	0.396	S	S	.	.	S	Bend	trans	-96.6	137.2	-178.8	-64	0	0	0	0	110.7	D335 F336 F340	D335-S338 WeakPolarHBondContact OD2-CB 3.48Å; D335-S338 PolarHBondContact OD2-N 3Å; D335-S338 PolarHBondContact OD2-OG 3.48Å; F336-S338 VanDerWaalsContact C-N 3.32Å; S338-F340 WeakPolarHBondContact O-CD1 3.14Å
339	A	75.6	Confident	86.3	Confident	98 Å²	98	63.2 Å²	63.2	81%	0.81	38%	0.376	S	S	*	.			trans	-71.1	133.8	170.8	0	0	0	0	0	110.1
340	F	86.9	Confident	86.2	Confident	27 Å²	27	59.5 Å²	59.5	12%	0.118	35%	0.349	C	S	.	.			trans	-139.8	137.2	176.1	59.8	-90	0	0	0	111.1	L314 R317 S318 Q334 F336 S338	L314-F340 HydrophobicContact CB-CZ 4.43Å; L314-F340 HydrophobicContact CD2-CE1 3.94Å; L314-F340 HydrophobicContact CD2-CZ 4.14Å; R317-F340 HydrophobicContact CB-CE2 3.65Å; R317-F340 HydrophobicContact CB-CZ 4.21Å; R317-F340 PolarHBondContact NE-O 3.24Å; R317-F340 VanDerWaalsContact NE-O 3.12Å; R317-F340 PolarHBondContact NH2-O 3.46Å; S318-F340 WeakPolarHBondContact OG-CZ 3.34Å; Q334-F340 HydrophobicContact CG-CD1 4.14Å; Q334-F340 HydrophobicContact CG-CE1 3.48Å; Q334-F340 VanDerWaalsContact CG-CE1 3.48Å; Q334-F340 HydrophobicContact CG-CE2 4.18Å; Q334-F340 HydrophobicContact CG-CZ 3.51Å; F336-F340 HydrophobicContact CD1-CE1 4.47Å; S338-F340 WeakPolarHBondContact O-CD1 3.14Å
341	D	88.4	Confident	86.1	Confident	124 Å²	124	61.2 Å²	61.2	66%	0.663	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-85.6	160.9	-172.3	-64.9	-39	0	0	0	114.3	R317 N321 K343	R317-D341 IonicContact NH2-OD1 3.58Å; R317-D341 PolarHBondContact NH2-OD1 2.88Å; N321-D341 PolarHBondContact ND2-O 3.42Å; D341-K343 PolarHBondContact O-N 3.37Å
342	L	92.3	Very high	86.2	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-71.4	127	173.4	-70.2	174.8	0	0	0	109.6	T17 L19 L85 I94 R317 W320 N321	T17-L342 HydrophobicContact CG2-CD1 3.55Å; T17-L342 HydrophobicContact CG2-CG 3.78Å; L19-L342 HydrophobicContact CB-CD1 4.48Å; L19-L342 HydrophobicContact CD1-CB 3.57Å; L19-L342 HydrophobicContact CD1-CD1 3.88Å; L19-L342 HydrophobicContact CD1-CG 4.37Å; L85-L342 HydrophobicContact CD1-CD1 4.33Å; L85-L342 HydrophobicContact CD2-CD1 4.41Å; I94-L342 HydrophobicContact CD1-CD1 4.07Å; I94-L342 HydrophobicContact CD1-CD2 3.86Å; I94-L342 HydrophobicContact CG1-CD1 4.04Å; R317-L342 HydrophobicContact CB-CD2 3.84Å; R317-L342 HydrophobicContact CG-CD2 3.8Å; R317-L342 HydrophobicContact CG-CG 4.39Å; W320-L342 HydrophobicContact CB-CD2 4.07Å; W320-L342 HydrophobicContact CG-CD2 3.99Å; N321-L342 WeakPolarHBondContact OD1-CA 3.36Å
343	K	91.3	Very high	86.4	Confident	94 Å²	94	59.5 Å²	59.5	41%	0.409	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-71.8	151.5	175.1	-69.1	-178.9	178.1	179.7	0	110.5	W320 N321 L324 E325 D341	W320-K343 PolarHBondContact NE1-O 3.42Å; N321-K343 HydrophobicContact CB-CD 4.1Å; N321-K343 HydrophobicContact CB-CG 4.31Å; N321-K343 PolarHBondContact OD1-N 2.89Å; L324-K343 HydrophobicContact CD1-CB 4.09Å; L324-K343 VanDerWaalsContact CD1-O 3.31Å; L324-K343 WeakPolarHBondContact CD1-O 3.32Å; E325-K343 IonicContact OE1-NZ 3.41Å; E325-K343 PolarHBondContact OE1-NZ 3.17Å; D341-K343 PolarHBondContact O-N 3.37Å
344	C	90.3	Very high	86.8	Confident	44 Å²	44	56.7 Å²	56.7	30%	0.297	32%	0.319	S	S	.	.			trans	-116.3	146.3	172.3	-65.9	0	0	0	0	109.8	C21	C21-C344 WeakPolarHBondContact CA-SG 3.39Å; C21-C344 HydrophobicContact CB-CB 3.77Å; C21-C344 WeakPolarHBondContact CB-SG 3.33Å; C21-C344 PolarHBondContact N-SG 3.17Å; C21-C344 WeakPolarHBondContact SG-CA 3.2Å; C21-C344 WeakPolarHBondContact SG-CB 3.1Å; C21-C344 CovalentContact SG-SG 2.03Å; C21-C344 PolarHBondContact SG-SG 3.39Å
345	S	85.1	Confident	87.1	Confident	29 Å²	29	55.5 Å²	55.5	20%	0.203	32%	0.315	C	S	.	.			trans	-63.9	145.3	169.1	53.3	0	0	0	0	110.4
346	T	82.7	Confident	87.3	Confident	81 Å²	81	57.5 Å²	57.5	50%	0.497	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-98.2	163.4	176.1	61.1	0	0	0	0	110.7	D348 S349 P350	T346-D348 PolarHBondContact O-N 3.42Å; T346-S349 CarbonylContact O-C 3.28Å; T346-S349 PolarHBondContact O-N 3.25Å; T346-S349 PolarHBondContact OG1-N 3.03Å; T346-P350 WeakPolarHBondContact O-CA 3.46Å; T346-P350 VanDerWaalsContact O-N 3.14Å
347	N	78.9	Confident	87.5	Confident	140 Å²	140	58.5 Å²	58.5	75%	0.749	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.7	175.7	-72.1	-18	0	0	0	112.7	S349	N347-S349 VanDerWaalsContact C-N 3.28Å; N347-S349 PolarHBondContact O-N 3.48Å
348	D	78.8	Confident	87.7	Confident	153 Å²	153	56 Å²	56	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.7	178.1	-57.3	-35.6	0	0	0	112.9	T346	T346-D348 PolarHBondContact O-N 3.42Å
349	S	82.9	Confident	87.5	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.203	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-152.3	70.6	179.9	-66.6	0	0	0	0	110.6	T346 N347 F351 R353	T346-S349 CarbonylContact O-C 3.28Å; T346-S349 PolarHBondContact O-N 3.25Å; T346-S349 PolarHBondContact OG1-N 3.03Å; N347-S349 VanDerWaalsContact C-N 3.28Å; N347-S349 PolarHBondContact O-N 3.48Å; S349-F351 PolarHBondContact O-N 3.18Å; S349-R353 PolarHBondContact OG-NH2 3.18Å
350	P	89.5	Confident	87.6	Confident	14 Å²	14	58.6 Å²	58.6	9%	0.091	31%	0.306	C	S	.	.			trans	-77.2	-3.4	-173.9	31.9	-36.2	0	0	0	113.5	T346	T346-P350 WeakPolarHBondContact O-CA 3.46Å; T346-P350 VanDerWaalsContact O-N 3.14Å
351	F	92.9	Very high	86.8	Confident	65 Å²	65	63.1 Å²	63.1	29%	0.285	34%	0.336	S	S	.	.	S	Bend	trans	-100.7	154.5	-169.6	-48.8	-59.6	0	0	0	113	E36 L37 R38 S349	E36-F351 HydrophobicContact CB-CD1 4.4Å; E36-F351 HydrophobicContact CB-CE1 4.07Å; E36-F351 HydrophobicContact CB-CZ 4.39Å; E36-F351 WeakPolarHBondContact O-CD1 3.44Å; E36-F351 VanDerWaalsContact O-CE1 3.24Å; E36-F351 WeakPolarHBondContact O-CE1 2.93Å; L37-F351 CarbonylContact O-C 3.54Å; L37-F351 WeakPolarHBondContact O-CA 3.25Å; R38-F351 HydrophobicContact CG-CD1 4.06Å; R38-F351 HydrophobicContact CG-CE1 4.32Å; S349-F351 PolarHBondContact O-N 3.18Å
352	I	95.4	Very high	85.4	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-62.4	134.5	163.9	-59.5	169.4	0	0	0	108.2	L37 P39 I42 L200 M323 T354 N357	L37-I352 HydrophobicContact CB-CD1 4.46Å; L37-I352 PolarHBondContact O-N 3.04Å; P39-I352 HydrophobicContact CG-CG1 4.42Å; I42-I352 HydrophobicContact CD1-CD1 4.29Å; I42-I352 HydrophobicContact CG1-CD1 4.11Å; L200-I352 HydrophobicContact CD2-CB 4.25Å; L200-I352 HydrophobicContact CD2-CD1 4.13Å; L200-I352 HydrophobicContact CD2-CG2 3.57Å; M323-I352 HydrophobicContact CB-CG2 4.19Å; M323-I352 HydrophobicContact CE-CD1 3.89Å; M323-I352 HydrophobicContact CE-CG1 4.35Å; M323-I352 HydrophobicContact CE-CG2 3.77Å; I352-T354 PolarHBondContact O-N 3.13Å; I352-N357 PolarHBondContact O-ND2 2.9Å
353	R	95.2	Very high	83.1	Confident	48 Å²	48	62 Å²	62	18%	0.181	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.6	118.8	-171.2	-66.9	-68.1	-165.1	167.3	2	111.8	M323 L324 E325 S349 N357	M323-R353 WeakPolarHBondContact O-CB 3.49Å; M323-R353 PolarHBondContact O-N 3.17Å; L324-R353 VanDerWaalsContact C-CG 3.46Å; L324-R353 VanDerWaalsContact O-CG 3.25Å; L324-R353 WeakPolarHBondContact O-CG 3.42Å; E325-R353 WeakPolarHBondContact O-CB 3.22Å; E325-R353 WeakPolarHBondContact O-CG 3.43Å; S349-R353 PolarHBondContact OG-NH2 3.18Å; R353-N357 WeakPolarHBondContact CA-OD1 3.41Å; R353-N357 PolarHBondContact NH1-O 3.45Å
354	T	94.9	Very high	80.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.332	C	S	.	.			trans	-118.2	170.8	173.2	64.5	0	0	0	0	108.6	H35 L200 T275 V277 V327 I352 K356 N357 S358	H35-T354 PolarHBondContact ND1-OG1 2.77Å; L200-T354 HydrophobicContact CD1-CG2 4.25Å; T275-T354 HydrophobicContact CG2-CG2 3.83Å; V277-T354 HydrophobicContact CG2-CG2 4.29Å; V327-T354 VanDerWaalsContact CG2-C 3.45Å; I352-T354 PolarHBondContact O-N 3.13Å; T354-K356 PolarHBondContact O-N 3.28Å; T354-N357 PolarHBondContact N-OD1 3.39Å; T354-N357 PolarHBondContact O-N 3.17Å; T354-N357 PolarHBondContact O-OD1 2.89Å; T354-N357 PolarHBondContact OG1-ND2 2.89Å; T354-N357 PolarHBondContact OG1-OD1 3.05Å; T354-S358 VanDerWaalsContact O-CB 3.25Å; T354-S358 WeakPolarHBondContact O-CB 3.24Å; T354-S358 PolarHBondContact O-N 2.95Å; T354-S358 PolarHBondContact O-OG 3Å
355	S	90.3	Very high	77.9	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.042	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-50.5	-52.3	175.4	51.2	0	0	0	0	113.1	D269 N357 S358 Y360 Y362	D269-S355 PolarHBondContact OD1-OG 3.23Å; S355-N357 VanDerWaalsContact C-N 3.34Å; S355-N357 PolarHBondContact O-N 3.23Å; S355-S358 PolarHBondContact O-N 3.08Å; S355-Y360 WeakPolarHBondContact O-CB 3.37Å; S355-Y360 PolarHBondContact O-N 3.03Å; S355-Y362 WeakPolarHBondContact CB-OH 3.21Å; S355-Y362 PolarHBondContact OG-OH 2.77Å
356	K	89.9	Confident	75.4	Confident	104 Å²	104	66.7 Å²	66.7	45%	0.452	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-73.1	-19.8	-172.5	-58.5	-162.4	-165.9	141.6	0	114.7	H35 D269 T354	H35-K356 HydrophobicContact CB-CB 4.4Å; H35-K356 VanDerWaalsContact NE2-CD 3.27Å; H35-K356 WeakPolarHBondContact NE2-CD 3.5Å; H35-K356 WeakPolarHBondContact NE2-CE 3.46Å; H35-K356 PolarHBondContact NE2-NZ 3.12Å; D269-K356 VanDerWaalsContact O-CE 3.24Å; D269-K356 WeakPolarHBondContact O-CE 3.45Å; D269-K356 PolarHBondContact O-NZ 3.13Å; T354-K356 PolarHBondContact O-N 3.28Å
357	N	91.6	Very high	73	Confident	30 Å²	30	67.3 Å²	67.3	16%	0.16	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-106.2	15	175.9	73.6	16	0	0	0	113.1	H35 I352 R353 T354 S355	H35-N357 PolarHBondContact O-ND2 3.48Å; I352-N357 PolarHBondContact O-ND2 2.9Å; R353-N357 WeakPolarHBondContact CA-OD1 3.41Å; R353-N357 PolarHBondContact NH1-O 3.45Å; T354-N357 PolarHBondContact N-OD1 3.39Å; T354-N357 PolarHBondContact O-N 3.17Å; T354-N357 PolarHBondContact O-OD1 2.89Å; T354-N357 PolarHBondContact OG1-ND2 2.89Å; T354-N357 PolarHBondContact OG1-OD1 3.05Å; S355-N357 VanDerWaalsContact C-N 3.34Å; S355-N357 PolarHBondContact O-N 3.23Å
358	S	88.3	Confident	70.6	Confident	17 Å²	17	68.1 Å²	68.1	12%	0.119	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	11.6	176.8	-58.7	0	0	0	0	113	P326 V327 T354 S355 Y360	P326-S358 WeakPolarHBondContact CA-OG 3.44Å; V327-S358 VanDerWaalsContact N-CB 3.34Å; V327-S358 PolarHBondContact N-OG 3.4Å; T354-S358 VanDerWaalsContact O-CB 3.25Å; T354-S358 WeakPolarHBondContact O-CB 3.24Å; T354-S358 PolarHBondContact O-N 2.95Å; T354-S358 PolarHBondContact O-OG 3Å; S355-S358 PolarHBondContact O-N 3.08Å; S358-Y360 PolarHBondContact O-N 2.87Å; S358-Y360 VanDerWaalsContact O-N 3.08Å
359	D	76.6	Confident	68.5	Low	162 Å²	162	65 Å²	65	87%	0.866	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	26.9	-170.8	-62	-30.9	0	0	0	113.5	T361	D359-T361 PolarHBondContact O-N 2.91Å
360	Y	77.9	Confident	65.9	Low	55 Å²	55	69.3 Å²	69.3	22%	0.216	39%	0.385	C	S	.	.			trans	-79.9	121.6	-179.6	-172	-106.5	0	0	0	109.6	D264 V327 S355 S358 Y362	D264-Y360 VanDerWaalsContact CG-OH 3.23Å; D264-Y360 PolarHBondContact OD1-OH 3.12Å; V327-Y360 HydrophobicContact CB-CG 4.37Å; V327-Y360 HydrophobicContact CG1-CD1 3.93Å; V327-Y360 HydrophobicContact CG1-CD2 4.01Å; V327-Y360 HydrophobicContact CG1-CE1 4.18Å; V327-Y360 HydrophobicContact CG1-CE2 4.29Å; V327-Y360 HydrophobicContact CG1-CG 3.81Å; S355-Y360 WeakPolarHBondContact O-CB 3.37Å; S355-Y360 PolarHBondContact O-N 3.03Å; S358-Y360 PolarHBondContact O-N 2.87Å; S358-Y360 VanDerWaalsContact O-N 3.08Å; Y360-Y362 HydrophobicContact CD1-CD1 4.37Å; Y360-Y362 HydrophobicContact CD1-CE1 4.38Å; Y360-Y362 HydrophobicContact CE1-CD1 4.07Å; Y360-Y362 HydrophobicContact CE1-CE1 4.29Å
361	T	68.8	Low	63.3	Low	122 Å²	122	74.1 Å²	74.1	75%	0.748	42%	0.417	S	S	*	.			trans	-94.3	120.6	169.5	37.3	0	0	0	0	108.4	D359 S363	D359-T361 PolarHBondContact O-N 2.91Å; T361-S363 PolarHBondContact O-N 3.37Å
362	Y	59.8	Low	60.7	Low	65 Å²	65	75.8 Å²	75.8	26%	0.255	43%	0.427	S	S	.	.			trans	-58	114.6	166.4	-59.4	-78.3	0	0	0	107	D264 D269 S355 Y360 A364	D264-Y362 VanDerWaalsContact O-CD1 3.29Å; D264-Y362 WeakPolarHBondContact O-CD1 3.49Å; D269-Y362 HydrophobicContact CB-CE2 4.27Å; D269-Y362 WeakPolarHBondContact CB-OH 3.44Å; D269-Y362 PolarHBondContact OD1-OH 3.06Å; D269-Y362 VanDerWaalsContact OD1-OH 3.13Å; D269-Y362 PolarHBondContact OD2-OH 2.99Å; S355-Y362 WeakPolarHBondContact CB-OH 3.21Å; S355-Y362 PolarHBondContact OG-OH 2.77Å; Y360-Y362 HydrophobicContact CD1-CD1 4.37Å; Y360-Y362 HydrophobicContact CD1-CE1 4.38Å; Y360-Y362 HydrophobicContact CE1-CD1 4.07Å; Y360-Y362 HydrophobicContact CE1-CE1 4.29Å; Y362-A364 PolarHBondContact O-N 3.4Å
363	S	44.4	Very low	58.3	Low	43 Å²	43	80.3 Å²	80.3	30%	0.301	46%	0.455	S	S	.	.			trans	-55.5	110.7	157.8	34	0	0	0	0	105.9	T361 K368	T361-S363 PolarHBondContact O-N 3.37Å; S363-K368 WeakPolarHBondContact OG-CE 3.48Å
364	A	36.3	Very low	56.3	Low	57 Å²	57	85.7 Å²	85.7	47%	0.471	48%	0.482	S	S	.	.			trans	-46.8	155.1	167.7	0	0	0	0	0	109	Y362 S366	Y362-A364 PolarHBondContact O-N 3.4Å; A364-S366 PolarHBondContact O-N 3.45Å
365	P	34.8	Very low	55.5	Low	136 Å²	136	86.4 Å²	86.4	88%	0.883	49%	0.487	S	S	*	.	S	Bend	trans	-67.3	69.5	162	30.2	-32.6	0	0	0	108.4
366	S	32.9	Very low	55.2	Low	71 Å²	71	87 Å²	87	50%	0.497	49%	0.494	S	S	.	.	S	Bend	trans	-145.5	110.9	167.8	60.1	0	0	0	0	103.5	A364 K368	A364-S366 PolarHBondContact O-N 3.45Å; S366-K368 PolarHBondContact O-N 3.26Å
367	S	32.2	Very low	55.2	Low	94 Å²	94	82.6 Å²	82.6	66%	0.657	48%	0.476	S	S	*	.			trans	42.4	79.4	150.8	62.4	0	0	0	0	114.3	T369	S367-T369 PolarHBondContact O-N 3.16Å
368	K	28.7	Very low	55.1	Low	157 Å²	157	89.2 Å²	89.2	68%	0.683	51%	0.506	S	S	*	.			trans	-64.8	89.2	153.6	-91.1	-170.8	-178.3	174.2	0	106.6	S363 S366 D370	S363-K368 WeakPolarHBondContact OG-CE 3.48Å; S366-K368 PolarHBondContact O-N 3.26Å; K368-D370 PolarHBondContact O-N 3.39Å
369	T	34.4	Very low	55.2	Low	87 Å²	87	89 Å²	89	53%	0.534	50%	0.504	S	S	.	.			trans	-66.5	88.6	162.8	48.9	0	0	0	0	107.3	S367 I372	S367-T369 PolarHBondContact O-N 3.16Å; T369-I372 HydrophobicContact CG2-CD1 4.15Å; T369-I372 HydrophobicContact CG2-CG1 3.61Å
370	D	30	Very low	55.7	Low	120 Å²	120	85 Å²	85	64%	0.642	49%	0.486	S	S	*	.	S	Bend	trans	-49.4	146.2	136	-88.1	-31.6	0	0	0	107.7	K368 I372	K368-D370 PolarHBondContact O-N 3.39Å; D370-I372 PolarHBondContact O-N 3.48Å
371	P	33.9	Very low	56.3	Low	115 Å²	115	82.6 Å²	82.6	75%	0.747	48%	0.477	S	S	*	.	S	Bend	trans	-40.9	115.3	-155.2	16.1	-31.3	0	0	0	111.1	T373	P371-T373 VanDerWaalsContact C-N 3.32Å; P371-T373 PolarHBondContact O-N 2.79Å
372	I	37.9	Very low	57	Low	100 Å²	100	86.2 Å²	86.2	51%	0.513	49%	0.486	S	S	.	.			trans	-45.6	98.5	-177.8	-61.2	170.8	0	0	0	107.9	T369 D370 H374	T369-I372 HydrophobicContact CG2-CD1 4.15Å; T369-I372 HydrophobicContact CG2-CG1 3.61Å; D370-I372 PolarHBondContact O-N 3.48Å; I372-H374 VanDerWaalsContact C-N 3.32Å; I372-H374 HydrophobicContact CG2-CB 4.34Å; I372-H374 PolarHBondContact O-N 2.95Å
373	T	44.8	Very low	58.3	Low	97 Å²	97	85 Å²	85	60%	0.595	48%	0.484	S	S	*	.			trans	-67.5	108	146.2	40.6	0	0	0	0	102.6	P371 T375	P371-T373 VanDerWaalsContact C-N 3.32Å; P371-T373 PolarHBondContact O-N 2.79Å; T373-T375 VanDerWaalsContact C-N 3.34Å; T373-T375 PolarHBondContact O-N 3.42Å
374	H	54.8	Low	60.5	Low	161 Å²	161	87.6 Å²	87.6	75%	0.745	49%	0.487	S	S	*	.			trans	-57.7	100.1	178	-78.7	-84.8	0	0	0	107.9	I372	I372-H374 VanDerWaalsContact C-N 3.32Å; I372-H374 HydrophobicContact CG2-CB 4.34Å; I372-H374 PolarHBondContact O-N 2.95Å
375	T	76.9	Confident	63	Low	15 Å²	15	88 Å²	88	9%	0.092	49%	0.486	C	S	.	.			trans	-86.1	1.7	174.5	50.5	0	0	0	0	111.8	T373 T447 T449 Q669 T673	T373-T375 VanDerWaalsContact C-N 3.34Å; T373-T375 PolarHBondContact O-N 3.42Å; T375-T447 PolarHBondContact OG1-O 3.47Å; T375-T449 WeakPolarHBondContact O-CB 3.48Å; T375-T449 PolarHBondContact O-N 3.17Å; T375-T449 PolarHBondContact O-OG1 2.95Å; T375-Q669 HydrophobicContact CG2-CB 4.48Å; T375-Q669 HydrophobicContact CG2-CG 4.11Å; T375-T673 WeakPolarHBondContact CB-OG1 3.47Å; T375-T673 WeakPolarHBondContact O-CG2 3.46Å; T375-T673 PolarHBondContact O-OG1 3.46Å
376	G	84.1	Confident	65.8	Low	20 Å²	20	85.4 Å²	85.4	21%	0.206	47%	0.47	C	S	.	.			trans	-69.4	152.3	168.1	0	0	0	0	0	112.6	L445 T446	G376-L445 CarbonylContact C-O 3.57Å; G376-L445 VanDerWaalsContact CA-O 3.22Å; G376-L445 WeakPolarHBondContact CA-O 3.38Å; G376-T446 VanDerWaalsContact CA-C 3.44Å; G376-T446 WeakPolarHBondContact CA-O 3.04Å
377	T	89.9	Confident	68.7	Low	10 Å²	10	83.2 Å²	83.2	6%	0.061	45%	0.454	C	S	.	.			trans	-124.3	148.9	176.5	-58.2	0	0	0	0	109.3	L445 T449 R677 L702	T377-L445 PolarHBondContact N-O 3.25Å; T377-L445 WeakPolarHBondContact O-CG 3.38Å; T377-T449 WeakPolarHBondContact CB-OG1 3.35Å; T377-T449 PolarHBondContact N-OG1 2.96Å; T377-T449 WeakPolarHBondContact OG1-CG2 3.13Å; T377-T449 PolarHBondContact OG1-OG1 3Å; T377-R677 HydrophobicContact CG2-CG 4.48Å; T377-L702 HydrophobicContact CG2-CD1 3.49Å; T377-L702 VanDerWaalsContact CG2-CD1 3.49Å; T377-L702 HydrophobicContact CG2-CG 3.68Å
378	E	89.7	Confident	71.5	Confident	169 Å²	169	85.1 Å²	85.1	79%	0.79	47%	0.467	S	S	*	.			trans	-94.5	142.8	168.7	-65.8	-168.5	168.9	0	0	110.1
379	L	90.6	Very high	74.6	Confident	14 Å²	14	81.5 Å²	81.5	7%	0.073	46%	0.462	C	S	.	.			trans	-114.6	105.7	177.6	-174.4	71	0	0	0	109.6	C381 R384 L445 I454 H457 F458 L702	L379-C381 WeakPolarHBondContact CD1-SG 3.32Å; L379-C381 HydrophobicContact CG-CB 4.25Å; L379-C381 VanDerWaalsContact CG-SG 3.58Å; L379-C381 PolarHBondContact O-N 3.3Å; L379-C381 VanDerWaalsContact O-N 3.16Å; L379-R384 PolarHBondContact O-NH2 3.36Å; L379-L445 HydrophobicContact CB-CD2 3.65Å; L379-L445 HydrophobicContact CD2-CD2 4.44Å; L379-I454 HydrophobicContact CD1-CG2 4.47Å; L379-I454 HydrophobicContact CD2-CG2 4.47Å; L379-H457 HydrophobicContact CD2-CB 3.69Å; L379-F458 HydrophobicContact CD2-CD2 4.41Å; L379-F458 HydrophobicContact CD2-CE2 3.57Å; L379-F458 HydrophobicContact CD2-CZ 3.93Å; L379-L702 HydrophobicContact CD1-CB 3.87Å; L379-L702 HydrophobicContact CD1-CD1 3.79Å; L379-L702 HydrophobicContact CD1-CG 4.49Å
380	P	87.3	Confident	77.5	Confident	78 Å²	78	81.6 Å²	81.6	51%	0.506	46%	0.458	S	S	.	.			trans	-79.9	9.1	-173	31.8	-34.9	0	0	0	113.9	E382	P380-E382 PolarHBondContact O-N 3.41Å
381	C	89.2	Confident	80.6	Confident	4 Å²	4	76.1 Å²	76.1	3%	0.027	43%	0.429	C	S	.	.			trans	-69.8	127	-171.1	-50.2	0	0	0	0	112.2	L379 R384 F458 C704	L379-C381 WeakPolarHBondContact CD1-SG 3.32Å; L379-C381 HydrophobicContact CG-CB 4.25Å; L379-C381 VanDerWaalsContact CG-SG 3.58Å; L379-C381 PolarHBondContact O-N 3.3Å; L379-C381 VanDerWaalsContact O-N 3.16Å; C381-R384 PolarHBondContact O-NE 3.46Å; C381-R384 PolarHBondContact O-NH2 3.11Å; C381-F458 HydrophobicContact CB-CE1 4.41Å; C381-F458 HydrophobicContact CB-CZ 4.15Å; C381-C704 WeakPolarHBondContact CA-SG 3.24Å; C381-C704 HydrophobicContact CB-CB 3.72Å; C381-C704 WeakPolarHBondContact CB-SG 3.38Å; C381-C704 PolarHBondContact N-SG 2.94Å; C381-C704 WeakPolarHBondContact SG-CA 3.27Å; C381-C704 WeakPolarHBondContact SG-CB 3.14Å; C381-C704 CovalentContact SG-SG 2.03Å; C381-C704 PolarHBondContact SG-SG 3.5Å
382	E	85.4	Confident	83.6	Confident	197 Å²	197	75.1 Å²	75.1	92%	0.921	42%	0.421	S	S	*	.	S	Bend	trans	-82.2	-50.9	177.1	-63.9	-172.1	167.7	0	0	112.2	P380	P380-E382 PolarHBondContact O-N 3.41Å
383	D	85.9	Confident	86.4	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.219	40%	0.4	C	S	.	.			trans	-83.7	118.9	174.5	-173.3	16.1	0	0	0	110.6	S385 R398	D383-S385 VanDerWaalsContact OD1-CB 3.23Å; D383-S385 WeakPolarHBondContact OD1-CB 3.48Å; D383-S385 PolarHBondContact OD1-N 2.92Å; D383-S385 PolarHBondContact OD1-OG 2.89Å; D383-R398 IonicContact OD2-NH1 3.98Å; D383-R398 PolarHBondContact OD2-NH1 2.81Å
384	R	90.3	Very high	88.9	Confident	96 Å²	96	66.2 Å²	66.2	36%	0.362	37%	0.372	S	S	.	.			trans	-125.4	13.2	177.6	-55.2	-179	-169.3	-177.5	-1.8	112	L379 C381 H457 F458	L379-R384 PolarHBondContact O-NH2 3.36Å; C381-R384 PolarHBondContact O-NE 3.46Å; C381-R384 PolarHBondContact O-NH2 3.11Å; R384-H457 WeakPolarHBondContact CD-O 3.49Å; R384-H457 PolarHBondContact NH1-ND1 2.93Å; R384-F458 HydrophobicContact CB-CD1 3.95Å; R384-F458 HydrophobicContact CB-CE1 4.36Å; R384-F458 HydrophobicContact CG-CD1 4.18Å; R384-F458 HydrophobicContact CG-CE1 4.15Å
385	S	89.8	Confident	90.9	Very high	66 Å²	66	59 Å²	59	46%	0.462	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.2	140.9	-169.7	-45.6	0	0	0	0	111.1	D383	D383-S385 VanDerWaalsContact OD1-CB 3.23Å; D383-S385 WeakPolarHBondContact OD1-CB 3.48Å; D383-S385 PolarHBondContact OD1-N 2.92Å; D383-S385 PolarHBondContact OD1-OG 2.89Å
386	P	92.6	Very high	91.8	Very high	82 Å²	82	63.1 Å²	63.1	53%	0.532	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65	165.8	168.3	30.5	-35.3	0	0	0	111.3	A400	P386-A400 VanDerWaalsContact CA-CB 3.48Å; P386-A400 HydrophobicContact CB-CB 3.94Å
387	S	93.3	Very high	92.3	Very high	24 Å²	24	62.1 Å²	62.1	17%	0.168	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.1	148.8	169.4	-69.5	0	0	0	0	110.6	S389 R398 D401	S387-S389 WeakPolarHBondContact CB-O 3.48Å; S387-S389 PolarHBondContact O-N 2.86Å; S387-S389 VanDerWaalsContact O-N 3.07Å; S387-R398 WeakPolarHBondContact OG-CD 3.39Å; S387-R398 WeakPolarHBondContact OG-CG 3.39Å; S387-D401 VanDerWaalsContact CB-OD1 3.27Å; S387-D401 WeakPolarHBondContact CB-OD1 3.38Å; S387-D401 WeakPolarHBondContact CB-OD2 3.38Å; S387-D401 PolarHBondContact N-OD1 3.27Å; S387-D401 PolarHBondContact OG-OD1 3.44Å; S387-D401 PolarHBondContact OG-OD2 3.11Å
388	S	92	Very high	92.7	Very high	134 Å²	134	64.3 Å²	64.3	94%	0.937	35%	0.354	S	S	*	.	S	Bend	trans	-59.4	-22.6	-177.9	63.7	0	0	0	0	114.2
389	S	94.3	Very high	93	Very high	81 Å²	81	56.4 Å²	56.4	57%	0.566	32%	0.317	S	S	*	.	S	Bend	trans	-143.4	158.8	169.9	58	0	0	0	0	108.9	S387 P391	S387-S389 WeakPolarHBondContact CB-O 3.48Å; S387-S389 PolarHBondContact O-N 2.86Å; S387-S389 VanDerWaalsContact O-N 3.07Å; S389-P391 VanDerWaalsContact O-CD 3.23Å; S389-P391 WeakPolarHBondContact O-CD 3.36Å; S389-P391 VanDerWaalsContact O-N 3.1Å
390	I	94.6	Very high	93.3	Very high	89 Å²	89	56 Å²	56	46%	0.456	32%	0.316	S	S	.	.			trans	-57.8	117.7	175.9	-52.7	175.9	0	0	0	108.7
391	P	96	Very high	93.8	Very high	6 Å²	6	53 Å²	53	4%	0.039	30%	0.296	C	S	.	.			trans	-58.4	143.8	-176.7	-26.2	35.4	0	0	0	111.6	S389 E396 L397 D401 W514 R558	S389-P391 VanDerWaalsContact O-CD 3.23Å; S389-P391 WeakPolarHBondContact O-CD 3.36Å; S389-P391 VanDerWaalsContact O-N 3.1Å; P391-E396 HydrophobicContact CB-CB 4.4Å; P391-L397 HydrophobicContact CB-CD2 4.32Å; P391-L397 HydrophobicContact CG-CD2 4.2Å; P391-D401 HydrophobicContact CG-CB 4.16Å; P391-D401 WeakPolarHBondContact CG-OD2 2.84Å; P391-W514 HydrophobicContact CB-CZ2 4.49Å; P391-W514 WeakPolarHBondContact O-CZ2 3.35Å; P391-W514 PolarHBondContact O-NE1 3.49Å; P391-R558 PolarHBondContact O-NH1 3.43Å
392	T	95.4	Very high	94.2	Very high	94 Å²	94	52.9 Å²	52.9	58%	0.577	30%	0.295	S	S	*	.	S	Bend	trans	-94.3	-13.9	172.6	51.8	0	0	0	0	112.3
393	S	97.3	Very high	94.8	Very high	10 Å²	10	47.1 Å²	47.1	7%	0.07	27%	0.267	C	S	.	.	S	Bend	trans	-122	141.7	177.6	-173.5	0	0	0	0	112.3	H395 E396 S632	S393-H395 PolarHBondContact O-N 2.92Å; S393-H395 PolarHBondContact OG-CD2 3.5Å; S393-H395 PolarHBondContact OG-N 2.76Å; S393-E396 PolarHBondContact O-N 2.82Å; S393-S632 CarbonylContact C-O 3.45Å; S393-S632 WeakPolarHBondContact CA-O 3.4Å; S393-S632 PolarHBondContact OG-O 2.99Å
394	V	97	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.5	-24.6	176.5	73.2	0	0	0	0	111.7	E396 L397 W514 L560 S632 T635	V394-E396 PolarHBondContact O-N 2.83Å; V394-L397 HydrophobicContact CB-CD1 4.4Å; V394-L397 HydrophobicContact CG2-CD1 3.69Å; V394-L397 WeakPolarHBondContact O-CB 3.36Å; V394-L397 WeakPolarHBondContact O-CG 3.49Å; V394-L397 PolarHBondContact O-N 3.1Å; V394-W514 VanDerWaalsContact CA-CH2 3.48Å; V394-W514 HydrophobicContact CB-CH2 3.78Å; V394-W514 HydrophobicContact CB-CZ3 3.73Å; V394-W514 HydrophobicContact CG2-CH2 4.38Å; V394-W514 HydrophobicContact CG2-CZ3 3.83Å; V394-L560 HydrophobicContact CG2-CB 3.84Å; V394-L560 HydrophobicContact CG2-CD1 4.11Å; V394-L560 HydrophobicContact CG2-CG 4.17Å; V394-S632 PolarHBondContact N-O 3.2Å; V394-T635 HydrophobicContact CB-CG2 4.22Å; V394-T635 HydrophobicContact CG1-CG2 3.6Å; V394-T635 HydrophobicContact CG2-CG2 3.56Å
395	H	96.4	Very high	95.8	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.046	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-76.2	-9.9	179.6	-49.3	-54	0	0	0	113.7	S393 T714 Y715 K716 N717	S393-H395 PolarHBondContact O-N 2.92Å; S393-H395 PolarHBondContact OG-CD2 3.5Å; S393-H395 PolarHBondContact OG-N 2.76Å; H395-T714 WeakPolarHBondContact ND1-CB 3.42Å; H395-T714 PolarHBondContact ND1-OG1 3.02Å; H395-Y715 AromaticContact CE1-CD1 3.87Å; H395-Y715 AromaticContact CE1-CE1 3.32Å; H395-Y715 WeakPolarHBondContact CE1-CE1 3.46Å; H395-Y715 AromaticContact NE2-CE1 3.79Å; H395-K716 HydrophobicContact CB-CB 4.23Å; H395-K716 HydrophobicContact CB-CD 4.31Å; H395-K716 WeakPolarHBondContact CD2-CD 3.22Å; H395-N717 PolarHBondContact O-ND2 2.87Å
396	E	96.1	Very high	96.3	Very high	100 Å²	100	37.6 Å²	37.6	47%	0.467	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-114	18.9	-180	-63.8	175.6	174.1	0	0	111.4	P391 S393 V394 R398 F711	P391-E396 HydrophobicContact CB-CB 4.4Å; S393-E396 PolarHBondContact O-N 2.82Å; V394-E396 PolarHBondContact O-N 2.83Å; E396-R398 PolarHBondContact O-N 2.89Å; E396-F711 HydrophobicContact CB-CD1 4.47Å; E396-F711 HydrophobicContact CB-CE1 4.07Å; E396-F711 HydrophobicContact CB-CZ 4.24Å; E396-F711 HydrophobicContact CG-CZ 4.42Å; E396-F711 WeakPolarHBondContact O-CD1 3.39Å; E396-F711 WeakPolarHBondContact O-CE1 2.97Å
397	L	96.3	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-77.2	116.6	-179.7	-78.3	179.8	0	0	0	112.5	P391 V394 D401 I402 W514 L560 F711 I712	P391-L397 HydrophobicContact CB-CD2 4.32Å; P391-L397 HydrophobicContact CG-CD2 4.2Å; V394-L397 HydrophobicContact CB-CD1 4.4Å; V394-L397 HydrophobicContact CG2-CD1 3.69Å; V394-L397 WeakPolarHBondContact O-CB 3.36Å; V394-L397 WeakPolarHBondContact O-CG 3.49Å; V394-L397 PolarHBondContact O-N 3.1Å; L397-D401 HydrophobicContact CD2-CB 3.84Å; L397-I402 HydrophobicContact CD1-CD1 4.08Å; L397-W514 HydrophobicContact CD1-CD2 4.02Å; L397-W514 HydrophobicContact CD1-CE3 3.64Å; L397-W514 HydrophobicContact CD1-CZ3 3.93Å; L397-W514 HydrophobicContact CD2-CB 4.12Å; L397-W514 HydrophobicContact CD2-CD2 3.51Å; L397-W514 HydrophobicContact CD2-CE3 4.04Å; L397-W514 HydrophobicContact CD2-CG 3.51Å; L397-W514 HydrophobicContact CD2-CZ2 4.29Å; L397-W514 HydrophobicContact CG-CD2 4.2Å; L397-W514 HydrophobicContact CG-CE3 4.25Å; L397-W514 HydrophobicContact CG-CZ3 4.48Å; L397-L560 HydrophobicContact CD1-CB 4.34Å; L397-L560 HydrophobicContact CD1-CD1 4.31Å; L397-F711 CarbonylContact O-C 3.53Å; L397-F711 WeakPolarHBondContact O-CA 3.27Å; L397-I712 HydrophobicContact CB-CD1 4.49Å; L397-I712 PolarHBondContact O-N 2.86Å
398	R	96.7	Very high	96.8	Very high	55 Å²	55	32.5 Å²	32.5	21%	0.208	19%	0.185	C	C	.	.			trans	-82.2	154.8	161.9	-60.7	-180	169.1	-125.7	-6	109.6	D383 S387 E396 A400 D401 P710 F711	D383-R398 IonicContact OD2-NH1 3.98Å; D383-R398 PolarHBondContact OD2-NH1 2.81Å; S387-R398 WeakPolarHBondContact OG-CD 3.39Å; S387-R398 WeakPolarHBondContact OG-CG 3.39Å; E396-R398 PolarHBondContact O-N 2.89Å; R398-A400 PolarHBondContact O-N 3.35Å; R398-A400 VanDerWaalsContact O-N 3.14Å; R398-D401 WeakPolarHBondContact CB-OD2 3.41Å; R398-D401 PolarHBondContact N-OD2 2.89Å; R398-D401 WeakPolarHBondContact O-CB 3.19Å; R398-D401 PolarHBondContact O-N 3.3Å; R398-P710 HydrophobicContact CG-CB 4.44Å; R398-F711 HydrophobicContact CG-CD1 4Å; R398-F711 HydrophobicContact CG-CE1 4.19Å
399	P	96.6	Very high	97.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.019	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.7	-34.5	176	-27.3	35	0	0	0	114.3	D401 I402 L455 F458 W680 I712	P399-D401 PolarHBondContact O-N 3.15Å; P399-I402 PolarHBondContact O-N 3.49Å; P399-L455 HydrophobicContact CB-CD2 4.25Å; P399-F458 HydrophobicContact CB-CB 4.17Å; P399-F458 HydrophobicContact CB-CD1 3.95Å; P399-F458 HydrophobicContact CB-CD2 4.01Å; P399-F458 HydrophobicContact CB-CE1 4.34Å; P399-F458 HydrophobicContact CB-CE2 4.38Å; P399-F458 HydrophobicContact CB-CG 3.78Å; P399-F458 HydrophobicContact CG-CD1 4.45Å; P399-F458 HydrophobicContact CG-CE1 4.42Å; P399-W680 HydrophobicContact CB-CH2 3.69Å; P399-W680 HydrophobicContact CB-CZ3 4.3Å; P399-W680 HydrophobicContact CG-CH2 3.81Å; P399-W680 HydrophobicContact CG-CZ2 4.48Å; P399-I712 HydrophobicContact CG-CG1 4.43Å
400	A	96.5	Very high	97.3	Very high	7 Å²	7	22.5 Å²	22.5	6%	0.058	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-69.1	-14.7	177.3	0	0	0	0	0	114.2	P386 R398 F458	P386-A400 VanDerWaalsContact CA-CB 3.48Å; P386-A400 HydrophobicContact CB-CB 3.94Å; R398-A400 PolarHBondContact O-N 3.35Å; R398-A400 VanDerWaalsContact O-N 3.14Å; A400-F458 HydrophobicContact CB-CB 3.9Å; A400-F458 WeakPolarHBondContact CB-O 3.11Å
401	D	97.9	Very high	97.5	Very high	15 Å²	15	18.6 Å²	18.6	8%	0.08	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-82.2	-18.4	178.1	-59.9	-40.9	0	0	0	112.6	S387 P391 L397 R398 P399 K403	S387-D401 VanDerWaalsContact CB-OD1 3.27Å; S387-D401 WeakPolarHBondContact CB-OD1 3.38Å; S387-D401 WeakPolarHBondContact CB-OD2 3.38Å; S387-D401 PolarHBondContact N-OD1 3.27Å; S387-D401 PolarHBondContact OG-OD1 3.44Å; S387-D401 PolarHBondContact OG-OD2 3.11Å; P391-D401 HydrophobicContact CG-CB 4.16Å; P391-D401 WeakPolarHBondContact CG-OD2 2.84Å; L397-D401 HydrophobicContact CD2-CB 3.84Å; R398-D401 WeakPolarHBondContact CB-OD2 3.41Å; R398-D401 PolarHBondContact N-OD2 2.89Å; R398-D401 WeakPolarHBondContact O-CB 3.19Å; R398-D401 PolarHBondContact O-N 3.3Å; P399-D401 PolarHBondContact O-N 3.15Å; D401-K403 PolarHBondContact O-N 3.47Å
402	I	98.3	Very high	97.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.9	176.6	-58.1	-57.3	0	0	0	109.3	L397 P399 V405 L455 N459 W514 L516 I712	L397-I402 HydrophobicContact CD1-CD1 4.08Å; P399-I402 PolarHBondContact O-N 3.49Å; I402-V405 HydrophobicContact CG2-CG1 4.33Å; I402-L455 HydrophobicContact CB-CD2 4.48Å; I402-L455 HydrophobicContact CG2-CD1 4.28Å; I402-N459 PolarHBondContact O-ND2 2.66Å; I402-W514 HydrophobicContact CD1-CB 4.27Å; I402-L516 HydrophobicContact CD1-CB 4.32Å; I402-L516 HydrophobicContact CG2-CB 3.81Å; I402-I712 HydrophobicContact CD1-CD1 4.23Å; I402-I712 HydrophobicContact CG1-CD1 4.09Å
403	K	98.3	Very high	97.7	Very high	75 Å²	75	14.7 Å²	14.7	33%	0.326	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-29.2	178.9	-72.6	-177.2	176.9	-172.4	0	113.4	D401 V462 T463 D513 W514	D401-K403 PolarHBondContact O-N 3.47Å; K403-V462 CarbonylContact O-C 3.53Å; K403-V462 WeakPolarHBondContact O-CA 3.32Å; K403-T463 PolarHBondContact O-N 2.85Å; K403-D513 HydrophobicContact CB-CB 4.08Å; K403-D513 HydrophobicContact CD-CB 3.89Å; K403-D513 VanDerWaalsContact CD-CG 3.44Å; K403-D513 WeakPolarHBondContact CD-OD1 3.32Å; K403-D513 IonicContact NZ-OD1 2.85Å; K403-D513 PolarHBondContact NZ-OD1 3.49Å; K403-W514 PolarHBondContact N-O 3.43Å; K403-W514 VanDerWaalsContact N-O 3.08Å
404	V	98.8	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.3	-177.7	-175.1	0	0	0	0	109.4	T463 L479 M502 I508 D513 W514 K515 L516	V404-T463 CarbonylContact C-O 3.05Å; V404-T463 WeakPolarHBondContact CA-O 3.25Å; V404-T463 HydrophobicContact CG2-CG2 4.11Å; V404-L479 HydrophobicContact CG1-CD1 3.47Å; V404-L479 VanDerWaalsContact CG1-CD1 3.47Å; V404-M502 HydrophobicContact CG1-SD 4.43Å; V404-I508 HydrophobicContact CG1-CD1 4.03Å; V404-I508 HydrophobicContact CG2-CD1 4.34Å; V404-I508 HydrophobicContact CG2-CG1 4.04Å; V404-I508 HydrophobicContact CG2-CG2 3.94Å; V404-D513 HydrophobicContact CG2-CB 4.32Å; V404-W514 PolarHBondContact N-O 3.28Å; V404-W514 VanDerWaalsContact N-O 3.12Å; V404-K515 HydrophobicContact CB-CB 4.46Å; V404-K515 HydrophobicContact CB-CG 3.89Å; V404-K515 HydrophobicContact CG1-CG 4.3Å; V404-K515 HydrophobicContact CG2-CG 4.38Å; V404-K515 CarbonylContact O-C 3.6Å; V404-K515 WeakPolarHBondContact O-CA 3.43Å; V404-L516 PolarHBondContact O-N 2.73Å
405	V	98.8	Very high	97.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.6	167.7	-69	0	0	0	0	109.6	I402 I439 P452 L455 V462 T463 G464 L516	I402-V405 HydrophobicContact CG2-CG1 4.33Å; V405-I439 HydrophobicContact CB-CD1 3.74Å; V405-I439 HydrophobicContact CG2-CD1 3.63Å; V405-P452 HydrophobicContact CG2-CB 4.36Å; V405-P452 HydrophobicContact CG2-CG 4.05Å; V405-L455 HydrophobicContact CG1-CD1 3.51Å; V405-V462 HydrophobicContact CG1-CG2 4.01Å; V405-V462 HydrophobicContact CG2-CG2 4.4Å; V405-T463 WeakPolarHBondContact CG2-O 3.45Å; V405-T463 PolarHBondContact N-O 3.34Å; V405-G464 CarbonylContact O-C 3.24Å; V405-G464 WeakPolarHBondContact O-CA 3.39Å; V405-L516 CarbonylContact C-O 3.04Å; V405-L516 WeakPolarHBondContact CA-O 3.41Å; V405-L516 HydrophobicContact CG1-CB 4.41Å
406	A	98.8	Very high	97.7	Very high	1 Å²	1	14 Å²	14	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	156.4	176.7	0	0	0	0	0	110.8	L479 L498 L516 I517 T518	A406-L479 HydrophobicContact CB-CB 3.93Å; A406-L479 HydrophobicContact CB-CD1 4.24Å; A406-L498 HydrophobicContact CB-CD1 3.61Å; A406-L498 HydrophobicContact CB-CD2 3.77Å; A406-L498 HydrophobicContact CB-CG 4.24Å; A406-L516 PolarHBondContact N-O 3.1Å; A406-I517 HydrophobicContact CB-CG1 4.29Å; A406-I517 CarbonylContact O-C 3.54Å; A406-I517 WeakPolarHBondContact O-CA 3.4Å; A406-T518 PolarHBondContact O-N 3.27Å
407	A	98.8	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.9	175.8	0	0	0	0	0	113.8	T413 I439 L479 Q481 T518	A407-T413 HydrophobicContact CB-CG2 3.74Å; A407-I439 HydrophobicContact CB-CB 3.72Å; A407-I439 HydrophobicContact CB-CD1 4.38Å; A407-I439 HydrophobicContact CB-CG1 3.85Å; A407-I439 HydrophobicContact CB-CG2 3.9Å; A407-L479 PolarHBondContact N-O 3.27Å; A407-L479 VanDerWaalsContact N-O 3.1Å; A407-Q481 PolarHBondContact O-N 3.01Å; A407-T518 VanDerWaalsContact CA-O 3.25Å; A407-T518 WeakPolarHBondContact CA-O 3.33Å
408	V	98.9	Very high	97.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151	169.9	-65.4	0	0	0	0	109	Q481 I491 Q494 V495 L498 T518 I519 F520	V408-Q481 HydrophobicContact CG1-CB 4.2Å; V408-I491 HydrophobicContact CG2-CG2 4.25Å; V408-Q494 HydrophobicContact CB-CB 4.01Å; V408-Q494 HydrophobicContact CG1-CB 3.73Å; V408-V495 HydrophobicContact CG1-CG2 4.22Å; V408-V495 HydrophobicContact CG2-CG2 3.94Å; V408-L498 HydrophobicContact CG1-CB 4.3Å; V408-L498 HydrophobicContact CG1-CD2 3.97Å; V408-T518 PolarHBondContact N-O 3.23Å; V408-I519 HydrophobicContact CG2-CB 4.18Å; V408-I519 HydrophobicContact CG2-CD1 4.31Å; V408-I519 HydrophobicContact CG2-CG1 3.7Å; V408-I519 HydrophobicContact CG2-CG2 4.09Å; V408-F520 PolarHBondContact O-N 3Å
409	G	98.6	Very high	96.9	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-152.9	-175.1	0	0	0	0	0	114	A482 V483 Q494 F520	G409-A482 VanDerWaalsContact O-CA 3.3Å; G409-A482 WeakPolarHBondContact O-CA 3.32Å; G409-A482 WeakPolarHBondContact O-CB 3.39Å; G409-V483 PolarHBondContact O-N 3Å; G409-Q494 PolarHBondContact O-NE2 2.96Å; G409-Q494 PolarHBondContact O-OE1 3.34Å; G409-Q494 VanDerWaalsContact O-OE1 3.14Å; G409-F520 WeakPolarHBondContact CA-O 3.36Å
410	D	98.2	Very high	96.4	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.027	6%	0.056	C	C	.	.	S	Bend	trans	-107.4	-154.7	-178.9	61.2	25.8	0	0	0	113.6	L412 T413 A414 A482 V483 I521 N524	D410-L412 VanDerWaalsContact C-N 3.29Å; D410-L412 PolarHBondContact O-N 3.31Å; D410-L412 PolarHBondContact OD1-N 3.44Å; D410-T413 PolarHBondContact O-N 2.88Å; D410-A414 PolarHBondContact O-N 3.04Å; D410-A482 WeakPolarHBondContact O-CB 3.37Å; D410-V483 WeakPolarHBondContact CA-O 3.15Å; D410-I521 HydrophobicContact CB-CD1 3.76Å; D410-N524 WeakPolarHBondContact CB-ND2 3.36Å
411	S	97.6	Very high	95.5	Very high	6 Å²	6	11.9 Å²	11.9	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-29.6	-178.4	51	0	0	0	0	113.9	A414 G415 N416 H666	S411-A414 PolarHBondContact O-N 2.82Å; S411-G415 PolarHBondContact O-N 3.42Å; S411-N416 WeakPolarHBondContact CA-OD1 3.41Å; S411-N416 WeakPolarHBondContact CB-OD1 3.39Å; S411-N416 PolarHBondContact O-N 3.5Å; S411-N416 PolarHBondContact O-OD1 2.79Å; S411-H666 WeakPolarHBondContact CB-NE2 3.33Å; S411-H666 PolarHBondContact OG-CD2 3.16Å; S411-H666 PolarHBondContact OG-NE2 3.5Å
412	L	97.3	Very high	94.2	Very high	17 Å²	17	15 Å²	15	9%	0.089	10%	0.096	C	C	.	.	H	α-helix	trans	-71.5	-35	176.6	-67.9	-179.7	0	0	0	111.5	D410 G415 F520 L567 L667	D410-L412 VanDerWaalsContact C-N 3.29Å; D410-L412 PolarHBondContact O-N 3.31Å; D410-L412 PolarHBondContact OD1-N 3.44Å; L412-G415 PolarHBondContact O-N 3.5Å; L412-F520 HydrophobicContact CB-CD1 4.46Å; L412-F520 HydrophobicContact CB-CE1 4.03Å; L412-F520 HydrophobicContact CD1-CE1 3.79Å; L412-F520 HydrophobicContact CD1-CZ 4.34Å; L412-L567 HydrophobicContact CD1-CD2 4.15Å; L412-L667 HydrophobicContact CD1-CD1 4.27Å; L412-L667 HydrophobicContact CD2-CB 4.1Å; L412-L667 HydrophobicContact CD2-CD1 4.2Å; L412-L667 HydrophobicContact CD2-CG 3.9Å
413	T	98.4	Very high	92.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-77	-32.7	175	-57.1	0	0	0	0	111.6	A407 D410 G415 S436 N480 A482	A407-T413 HydrophobicContact CB-CG2 3.74Å; D410-T413 PolarHBondContact O-N 2.88Å; T413-G415 VanDerWaalsContact C-N 3.26Å; T413-G415 PolarHBondContact O-N 2.93Å; T413-S436 WeakPolarHBondContact O-CB 3.42Å; T413-S436 PolarHBondContact O-OG 3.36Å; T413-N480 PolarHBondContact O-ND2 2.62Å; T413-A482 VanDerWaalsContact CB-CB 3.5Å; T413-A482 HydrophobicContact CG2-CB 3.51Å
414	A	98	Very high	91.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.2	-15.8	172.3	0	0	0	0	0	113.5	D410 S411 R433 A482 P484	D410-A414 PolarHBondContact O-N 3.04Å; S411-A414 PolarHBondContact O-N 2.82Å; A414-R433 WeakPolarHBondContact O-CG 3.3Å; A414-A482 HydrophobicContact CB-CB 4.18Å; A414-P484 HydrophobicContact CB-CG 4.21Å
415	G	96.7	Very high	90.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	35.9	177.7	0	0	0	0	0	114.4	S411 L412 T413 G417 Y432	S411-G415 PolarHBondContact O-N 3.42Å; L412-G415 PolarHBondContact O-N 3.5Å; T413-G415 VanDerWaalsContact C-N 3.26Å; T413-G415 PolarHBondContact O-N 2.93Å; G415-G417 PolarHBondContact O-N 3.43Å; G415-Y432 WeakPolarHBondContact O-CA 3.24Å; G415-Y432 WeakPolarHBondContact O-CB 3.47Å; G415-Y432 PolarHBondContact O-N 2.86Å
416	N	96.3	Very high	89.2	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.037	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-57.6	127.9	173.5	-79.8	75.6	0	0	0	111.8	S411 I418 V428 R430 P484	S411-N416 WeakPolarHBondContact CA-OD1 3.41Å; S411-N416 WeakPolarHBondContact CB-OD1 3.39Å; S411-N416 PolarHBondContact O-N 3.5Å; S411-N416 PolarHBondContact O-OD1 2.79Å; N416-I418 PolarHBondContact O-N 3.36Å; N416-I418 VanDerWaalsContact O-N 3.1Å; N416-V428 WeakPolarHBondContact CB-O 3.38Å; N416-V428 PolarHBondContact ND2-O 2.92Å; N416-R430 WeakPolarHBondContact CA-O 3.42Å; N416-P484 VanDerWaalsContact OD1-CG 3.25Å; N416-P484 WeakPolarHBondContact OD1-CG 3.26Å
417	G	91.8	Very high	88.1	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-0.6	171.5	0	0	0	0	0	117.2	G415 G419 S420 V428 R430 S661	G415-G417 PolarHBondContact O-N 3.43Å; G417-G419 PolarHBondContact O-N 2.84Å; G417-G419 VanDerWaalsContact O-N 3.13Å; G417-S420 WeakPolarHBondContact CA-OG 3.13Å; G417-S420 VanDerWaalsContact O-CB 3.28Å; G417-S420 WeakPolarHBondContact O-CB 3.46Å; G417-S420 PolarHBondContact O-N 3.27Å; G417-S420 PolarHBondContact O-OG 3.45Å; G417-V428 PolarHBondContact N-O 3.35Å; G417-R430 PolarHBondContact N-O 2.87Å; G417-S661 PolarHBondContact O-OG 3.11Å; G417-S661 VanDerWaalsContact O-OG 3.08Å
418	I	94.6	Very high	87.4	Confident	6 Å²	6	22.3 Å²	22.3	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.5	-173.3	-63.8	-176.7	0	0	0	112.4	N416 L435 Q669 Q672	N416-I418 PolarHBondContact O-N 3.36Å; N416-I418 VanDerWaalsContact O-N 3.1Å; I418-L435 HydrophobicContact CB-CB 4.25Å; I418-L435 HydrophobicContact CB-CD1 4.43Å; I418-L435 HydrophobicContact CD1-CB 4.23Å; I418-L435 HydrophobicContact CG2-CB 3.62Å; I418-L435 HydrophobicContact CG2-CD1 3.85Å; I418-L435 HydrophobicContact CG2-CG 4.4Å; I418-Q669 HydrophobicContact CG2-CB 3.74Å; I418-Q669 HydrophobicContact CG2-CG 4.07Å; I418-Q669 PolarHBondContact O-N 2.76Å; I418-Q672 HydrophobicContact CD1-CB 4.46Å; I418-Q672 HydrophobicContact CD1-CG 3.71Å; I418-Q672 HydrophobicContact CG1-CG 3.89Å; I418-Q672 HydrophobicContact CG2-CG 4.35Å
419	G	86.7	Confident	86.6	Confident	34 Å²	34	28.5 Å²	28.5	35%	0.351	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	7.3	-179.4	0	0	0	0	0	114.8	G417	G417-G419 PolarHBondContact O-N 2.84Å; G417-G419 VanDerWaalsContact O-N 3.13Å
420	S	84.9	Confident	85.7	Confident	16 Å²	16	32.9 Å²	32.9	11%	0.112	19%	0.188	C	C	.	.			trans	-75.8	133.5	-173.5	-62.9	0	0	0	0	112.7	G417 D427	G417-S420 WeakPolarHBondContact CA-OG 3.13Å; G417-S420 VanDerWaalsContact O-CB 3.28Å; G417-S420 WeakPolarHBondContact O-CB 3.46Å; G417-S420 PolarHBondContact O-N 3.27Å; G417-S420 PolarHBondContact O-OG 3.45Å; S420-D427 VanDerWaalsContact CA-OD2 3.27Å; S420-D427 WeakPolarHBondContact CA-OD2 3.44Å; S420-D427 VanDerWaalsContact CB-OD2 3.27Å; S420-D427 WeakPolarHBondContact CB-OD2 3.32Å; S420-D427 VanDerWaalsContact OG-C 3.22Å; S420-D427 WeakPolarHBondContact OG-CB 3.4Å; S420-D427 VanDerWaalsContact OG-CG 3.27Å; S420-D427 PolarHBondContact OG-O 2.91Å; S420-D427 VanDerWaalsContact OG-O 3.1Å; S420-D427 PolarHBondContact OG-OD2 2.54Å
421	S	77.1	Confident	85.5	Confident	64 Å²	64	34 Å²	34	45%	0.448	19%	0.193	S	C	.	.			trans	-64.6	143.1	173.7	-48.8	0	0	0	0	111.2	N423 N424 P662	S421-N423 PolarHBondContact O-N 3.25Å; S421-N424 WeakPolarHBondContact O-CB 3.48Å; S421-N424 PolarHBondContact O-N 2.78Å; S421-P662 WeakPolarHBondContact O-CG 3.42Å
422	P	70.9	Confident	85.4	Confident	79 Å²	79	35.4 Å²	35.4	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.9	-167.1	-31.8	35.4	0	0	0	118.1	R657 P662	P422-R657 PolarHBondContact O-NH2 3.09Å; P422-P662 WeakPolarHBondContact O-CA 3.1Å; P422-P662 VanDerWaalsContact O-CB 3.3Å; P422-P662 WeakPolarHBondContact O-CB 3.35Å
423	N	68.3	Low	85.4	Confident	128 Å²	128	34.7 Å²	34.7	68%	0.684	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	17.6	-178.3	-61.5	-36.2	0	0	0	113.6	R257 S421	R257-N423 PolarHBondContact NH2-O 3.11Å; S421-N423 PolarHBondContact O-N 3.25Å
424	N	71.1	Confident	85.3	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.048	19%	0.194	C	C	.	.			trans	-109.9	69.4	-177.6	-167.7	-1.2	0	0	0	111.9	R257 S421 L426 D427	R257-N424 WeakPolarHBondContact CD-ND2 3.17Å; R257-N424 VanDerWaalsContact CZ-CG 3.48Å; R257-N424 PolarHBondContact NH1-OD1 2.92Å; S421-N424 WeakPolarHBondContact O-CB 3.48Å; S421-N424 PolarHBondContact O-N 2.78Å; N424-L426 PolarHBondContact O-N 3.14Å; N424-D427 HydrophobicContact CB-CB 4.08Å; N424-D427 WeakPolarHBondContact ND2-CB 3.49Å; N424-D427 PolarHBondContact O-N 3.03Å; N424-D427 VanDerWaalsContact O-N 3.11Å; N424-D427 WeakPolarHBondContact OD1-CB 3.49Å; N424-D427 PolarHBondContact OD1-N 2.96Å
425	V	78.6	Confident	85.3	Confident	31 Å²	31	35.8 Å²	35.8	19%	0.188	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-56	-36.2	-177.9	-179.6	0	0	0	0	112.8	D427 V428 P584 L587 P662	V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.92Å; V425-V428 VanDerWaalsContact O-CB 3.3Å; V425-V428 WeakPolarHBondContact O-CB 3.23Å; V425-V428 VanDerWaalsContact O-CG2 3.31Å; V425-V428 WeakPolarHBondContact O-CG2 3.39Å; V425-V428 PolarHBondContact O-N 3.46Å; V425-P584 HydrophobicContact CG1-CG 4.44Å; V425-P584 HydrophobicContact CG2-CG 4.22Å; V425-L587 HydrophobicContact CG1-CD2 3.51Å; V425-P662 HydrophobicContact CG2-CB 4.17Å
426	L	71.1	Confident	85.4	Confident	47 Å²	47	35.8 Å²	35.8	25%	0.246	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-69	-31.4	-179.9	-70.3	169.6	0	0	0	113.6	V178 T250 N424 V428 L429	V178-L426 HydrophobicContact CG2-CD1 3.87Å; T250-L426 HydrophobicContact CG2-CD1 3.95Å; T250-L426 HydrophobicContact CG2-CD2 3.79Å; T250-L426 HydrophobicContact CG2-CG 3.55Å; T250-L426 WeakPolarHBondContact O-CD1 3.18Å; N424-L426 PolarHBondContact O-N 3.14Å; L426-V428 PolarHBondContact O-N 3.45Å; L426-L429 WeakPolarHBondContact O-CB 3.19Å; L426-L429 PolarHBondContact O-N 2.87Å; L426-L429 VanDerWaalsContact O-N 3.13Å
427	D	76.4	Confident	85.4	Confident	12 Å²	12	35.4 Å²	35.4	6%	0.064	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-72.3	-8.7	179.6	-171.5	61.1	0	0	0	112.7	S420 N424 V425 L429 R430 Y432	S420-D427 VanDerWaalsContact CA-OD2 3.27Å; S420-D427 WeakPolarHBondContact CA-OD2 3.44Å; S420-D427 VanDerWaalsContact CB-OD2 3.27Å; S420-D427 WeakPolarHBondContact CB-OD2 3.32Å; S420-D427 VanDerWaalsContact OG-C 3.22Å; S420-D427 WeakPolarHBondContact OG-CB 3.4Å; S420-D427 VanDerWaalsContact OG-CG 3.27Å; S420-D427 PolarHBondContact OG-O 2.91Å; S420-D427 VanDerWaalsContact OG-O 3.1Å; S420-D427 PolarHBondContact OG-OD2 2.54Å; N424-D427 HydrophobicContact CB-CB 4.08Å; N424-D427 WeakPolarHBondContact ND2-CB 3.49Å; N424-D427 PolarHBondContact O-N 3.03Å; N424-D427 VanDerWaalsContact O-N 3.11Å; N424-D427 WeakPolarHBondContact OD1-CB 3.49Å; N424-D427 PolarHBondContact OD1-N 2.96Å; V425-D427 VanDerWaalsContact C-N 3.33Å; V425-D427 PolarHBondContact O-N 2.92Å; D427-L429 PolarHBondContact O-N 3.15Å; D427-R430 WeakPolarHBondContact O-CA 3.01Å; D427-R430 WeakPolarHBondContact O-CB 3.38Å; D427-R430 PolarHBondContact O-N 2.95Å; D427-R430 WeakPolarHBondContact OD1-CB 3.46Å; D427-R430 WeakPolarHBondContact OD1-CD 3.25Å; D427-R430 IonicContact OD1-CZ 2.87Å; D427-R430 VanDerWaalsContact OD1-CZ 3.29Å; D427-R430 IonicContact OD1-NE 3.53Å; D427-R430 PolarHBondContact OD1-NE 3.17Å; D427-R430 IonicContact OD1-NH1 2.73Å; D427-R430 PolarHBondContact OD1-NH1 3.15Å; D427-Y432 VanDerWaalsContact CG-OH 3.29Å; D427-Y432 PolarHBondContact OD1-OH 2.94Å; D427-Y432 PolarHBondContact OD2-OH 3.47Å
428	V	85.1	Confident	85.8	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.036	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.1	167.6	-179.9	0	0	0	0	111.9	N416 G417 V425 L426 R430 P662 D663 H666	N416-V428 WeakPolarHBondContact CB-O 3.38Å; N416-V428 PolarHBondContact ND2-O 2.92Å; G417-V428 PolarHBondContact N-O 3.35Å; V425-V428 VanDerWaalsContact O-CB 3.3Å; V425-V428 WeakPolarHBondContact O-CB 3.23Å; V425-V428 VanDerWaalsContact O-CG2 3.31Å; V425-V428 WeakPolarHBondContact O-CG2 3.39Å; V425-V428 PolarHBondContact O-N 3.46Å; L426-V428 PolarHBondContact O-N 3.45Å; V428-R430 PolarHBondContact O-N 2.84Å; V428-P662 HydrophobicContact CG2-CB 4.29Å; V428-P662 HydrophobicContact CG2-CG 4.41Å; V428-D663 HydrophobicContact CG1-CB 4.47Å; V428-D663 WeakPolarHBondContact CG1-OD2 3.48Å; V428-D663 HydrophobicContact CG2-CB 4.11Å; V428-H666 HydrophobicContact CG1-CB 4.15Å; V428-H666 WeakPolarHBondContact CG1-ND1 3.31Å
429	L	80.8	Confident	85.9	Confident	130 Å²	130	35.2 Å²	35.2	68%	0.681	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-69.5	-19.1	174	-59.4	178.1	0	0	0	112.3	L426 D427	L426-L429 WeakPolarHBondContact O-CB 3.19Å; L426-L429 PolarHBondContact O-N 2.87Å; L426-L429 VanDerWaalsContact O-N 3.13Å; D427-L429 PolarHBondContact O-N 3.15Å
430	R	80.5	Confident	86.5	Confident	92 Å²	92	33.6 Å²	33.6	35%	0.347	18%	0.18	S	C	.	.	S	Bend	trans	-73.8	128.1	176.3	-170.5	174.6	-84.4	153	-10.7	109.8	E261 N416 G417 D427 V428 Y432 V469	E261-R430 IonicContact OE1-NH1 2.71Å; E261-R430 IonicContact OE2-CZ 3.31Å; E261-R430 IonicContact OE2-NH1 3.77Å; E261-R430 PolarHBondContact OE2-NH1 3.22Å; E261-R430 VanDerWaalsContact OE2-NH1 3.15Å; E261-R430 IonicContact OE2-NH2 3.26Å; E261-R430 PolarHBondContact OE2-NH2 3.09Å; N416-R430 WeakPolarHBondContact CA-O 3.42Å; G417-R430 PolarHBondContact N-O 2.87Å; D427-R430 WeakPolarHBondContact O-CA 3.01Å; D427-R430 WeakPolarHBondContact O-CB 3.38Å; D427-R430 PolarHBondContact O-N 2.95Å; D427-R430 WeakPolarHBondContact OD1-CB 3.46Å; D427-R430 WeakPolarHBondContact OD1-CD 3.25Å; D427-R430 IonicContact OD1-CZ 2.87Å; D427-R430 VanDerWaalsContact OD1-CZ 3.29Å; D427-R430 IonicContact OD1-NE 3.53Å; D427-R430 PolarHBondContact OD1-NE 3.17Å; D427-R430 IonicContact OD1-NH1 2.73Å; D427-R430 PolarHBondContact OD1-NH1 3.15Å; V428-R430 PolarHBondContact O-N 2.84Å; R430-Y432 HydrophobicContact CB-CD2 4.46Å; R430-Y432 HydrophobicContact CB-CE2 3.9Å; R430-Y432 WeakPolarHBondContact CD-OH 3.45Å; R430-Y432 HydrophobicContact CG-CD2 4.38Å; R430-Y432 HydrophobicContact CG-CE2 3.92Å; R430-Y432 WeakPolarHBondContact O-CD2 3.49Å; R430-V469 HydrophobicContact CG-CG1 3.33Å; R430-V469 HydrophobicContact CG-CG2 4.49Å
431	Q	93.8	Very high	87.1	Confident	30 Å²	30	33 Å²	33	14%	0.14	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-96	94.9	-175.5	-65	172.4	51	0	0	110	R433 V469 G470 P484	Q431-R433 HydrophobicContact CB-CG 4.33Å; Q431-R433 PolarHBondContact O-N 2.77Å; Q431-V469 VanDerWaalsContact O-CA 3.29Å; Q431-V469 WeakPolarHBondContact O-CA 3.42Å; Q431-G470 WeakPolarHBondContact CB-O 3.43Å; Q431-G470 PolarHBondContact O-N 3.42Å; Q431-G470 VanDerWaalsContact O-N 3.08Å; Q431-G470 PolarHBondContact OE1-O 3.27Å; Q431-P484 HydrophobicContact CG-CG 3.95Å
432	Y	95.8	Very high	88	Confident	35 Å²	35	32 Å²	32	14%	0.137	17%	0.166	C	C	.	.			trans	-79	61.6	177.7	-65.5	-91.7	0	0	0	111.2	G415 D427 R430 G434 L435 G468 V469	G415-Y432 WeakPolarHBondContact O-CA 3.24Å; G415-Y432 WeakPolarHBondContact O-CB 3.47Å; G415-Y432 PolarHBondContact O-N 2.86Å; D427-Y432 VanDerWaalsContact CG-OH 3.29Å; D427-Y432 PolarHBondContact OD1-OH 2.94Å; D427-Y432 PolarHBondContact OD2-OH 3.47Å; R430-Y432 HydrophobicContact CB-CD2 4.46Å; R430-Y432 HydrophobicContact CB-CE2 3.9Å; R430-Y432 WeakPolarHBondContact CD-OH 3.45Å; R430-Y432 HydrophobicContact CG-CD2 4.38Å; R430-Y432 HydrophobicContact CG-CE2 3.92Å; R430-Y432 WeakPolarHBondContact O-CD2 3.49Å; Y432-G434 PolarHBondContact O-N 3.39Å; Y432-G434 VanDerWaalsContact O-N 3.13Å; Y432-L435 HydrophobicContact CD1-CD1 4.28Å; Y432-L435 HydrophobicContact CG-CD1 4.48Å; Y432-L435 PolarHBondContact O-N 3.02Å; Y432-G468 CarbonylContact C-O 3.5Å; Y432-V469 HydrophobicContact CD1-CG2 3.64Å; Y432-V469 HydrophobicContact CE1-CG2 3.97Å; Y432-V469 HydrophobicContact CG-CG2 4.27Å
433	R	96.8	Very high	89.1	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.8	-32	-173.9	-70.5	-174.7	178.1	-89.2	-4.2	113.3	A414 Q431 L435 S436 G440 S466 G468 G470 D471 Q472 A477 N480 A482	A414-R433 WeakPolarHBondContact O-CG 3.3Å; Q431-R433 HydrophobicContact CB-CG 4.33Å; Q431-R433 PolarHBondContact O-N 2.77Å; R433-L435 PolarHBondContact O-N 3.21Å; R433-S436 PolarHBondContact O-N 3Å; R433-G440 VanDerWaalsContact O-CA 3.26Å; R433-G440 WeakPolarHBondContact O-CA 3.49Å; R433-S466 PolarHBondContact O-OG 3.38Å; R433-G468 PolarHBondContact N-O 3.1Å; R433-G468 VanDerWaalsContact N-O 3.14Å; R433-G470 WeakPolarHBondContact CD-O 3.44Å; R433-G470 PolarHBondContact NE-O 2.89Å; R433-D471 VanDerWaalsContact NE-C 3.32Å; R433-D471 PolarHBondContact NE-O 2.86Å; R433-Q472 VanDerWaalsContact NH2-N 3.15Å; R433-A477 VanDerWaalsContact CD-CB 3.44Å; R433-N480 PolarHBondContact NH1-ND2 3.32Å; R433-N480 PolarHBondContact NH1-O 2.7Å; R433-N480 VanDerWaalsContact NH1-O 3.11Å; R433-N480 PolarHBondContact NH1-OD1 2.93Å; R433-A482 PolarHBondContact NH1-O 3.31Å; R433-A482 PolarHBondContact NH2-O 2.78Å
434	G	97	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-64.1	-21.3	175.6	0	0	0	0	0	115	Y432 G440 G441 D442 S466 G468	Y432-G434 PolarHBondContact O-N 3.39Å; Y432-G434 VanDerWaalsContact O-N 3.13Å; G434-G440 CarbonylContact O-C 3.47Å; G434-G440 VanDerWaalsContact O-C 3.26Å; G434-G440 WeakPolarHBondContact O-CA 3Å; G434-G441 PolarHBondContact O-N 3.13Å; G434-G441 VanDerWaalsContact O-N 3.1Å; G434-D442 VanDerWaalsContact CA-CG 3.45Å; G434-D442 WeakPolarHBondContact CA-OD2 3.34Å; G434-D442 WeakPolarHBondContact O-CB 3.42Å; G434-D442 PolarHBondContact O-N 3.35Å; G434-S466 WeakPolarHBondContact CA-O 3.32Å; G434-G468 PolarHBondContact N-O 2.95Å
435	L	97.5	Very high	91.2	Very high	24 Å²	24	28 Å²	28	13%	0.126	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-102.1	-1.1	-179.9	-55.4	-179.9	0	0	0	113.8	I418 Y432 R433 W437 D442 V448	I418-L435 HydrophobicContact CB-CB 4.25Å; I418-L435 HydrophobicContact CB-CD1 4.43Å; I418-L435 HydrophobicContact CD1-CB 4.23Å; I418-L435 HydrophobicContact CG2-CB 3.62Å; I418-L435 HydrophobicContact CG2-CD1 3.85Å; I418-L435 HydrophobicContact CG2-CG 4.4Å; Y432-L435 HydrophobicContact CD1-CD1 4.28Å; Y432-L435 HydrophobicContact CG-CD1 4.48Å; Y432-L435 PolarHBondContact O-N 3.02Å; R433-L435 PolarHBondContact O-N 3.21Å; L435-W437 PolarHBondContact O-N 3.39Å; L435-D442 HydrophobicContact CD2-CB 4.08Å; L435-V448 HydrophobicContact CD2-CG1 3.74Å; L435-V448 HydrophobicContact CD2-CG2 4.17Å
436	S	98.1	Very high	91.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.			trans	-60.8	128.3	-177.7	177.3	0	0	0	0	112	T413 R433 C438 I439 G440 T450	T413-S436 WeakPolarHBondContact O-CB 3.42Å; T413-S436 PolarHBondContact O-OG 3.36Å; R433-S436 PolarHBondContact O-N 3Å; S436-C438 VanDerWaalsContact C-N 3.3Å; S436-C438 PolarHBondContact O-N 3.44Å; S436-C438 VanDerWaalsContact O-N 3.15Å; S436-I439 PolarHBondContact O-N 2.97Å; S436-G440 WeakPolarHBondContact O-CA 3.42Å; S436-G440 PolarHBondContact O-N 3.46Å; S436-T450 VanDerWaalsContact O-CG2 3.26Å; S436-T450 WeakPolarHBondContact O-CG2 3.07Å
437	W	97.9	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-41	-174.1	64.6	-68.1	0	0	0	115.3	L435 T450 L451 F520 V564 F641 Q672 M675 A676 L679	L435-W437 PolarHBondContact O-N 3.39Å; W437-T450 CarbonylContact O-C 3.54Å; W437-T450 WeakPolarHBondContact O-CA 3.26Å; W437-L451 PolarHBondContact O-N 2.82Å; W437-F520 HydrophobicContact CZ2-CB 4.14Å; W437-F520 AromaticContact CZ2-CD1 3.92Å; W437-F520 HydrophobicContact CZ2-CD1 3.92Å; W437-F520 HydrophobicContact CZ2-CG 4.03Å; W437-V564 HydrophobicContact CH2-CB 4.44Å; W437-V564 HydrophobicContact CH2-CG1 4.09Å; W437-V564 HydrophobicContact CH2-CG2 3.88Å; W437-F641 AromaticContact CH2-CZ 3.93Å; W437-F641 HydrophobicContact CH2-CZ 3.93Å; W437-F641 HydrophobicContact CZ3-CE1 4.32Å; W437-F641 AromaticContact CZ3-CZ 3.63Å; W437-F641 HydrophobicContact CZ3-CZ 3.63Å; W437-Q672 HydrophobicContact CB-CB 4.27Å; W437-Q672 VanDerWaalsContact CB-O 3.25Å; W437-Q672 WeakPolarHBondContact CB-O 3.3Å; W437-Q672 VanDerWaalsContact CG-OE1 3.26Å; W437-Q672 VanDerWaalsContact N-OE1 3.12Å; W437-M675 HydrophobicContact CB-CB 4.06Å; W437-M675 HydrophobicContact CD2-CB 3.89Å; W437-M675 HydrophobicContact CD2-CE 3.84Å; W437-M675 HydrophobicContact CE3-CB 3.74Å; W437-M675 HydrophobicContact CE3-CE 4.37Å; W437-M675 HydrophobicContact CG-CB 4.06Å; W437-M675 HydrophobicContact CG-CE 4.24Å; W437-M675 HydrophobicContact CG-SD 4.47Å; W437-M675 HydrophobicContact CH2-CE 4.3Å; W437-M675 HydrophobicContact CZ2-CE 3.81Å; W437-M675 HydrophobicContact CZ3-CB 4.42Å; W437-A676 HydrophobicContact CB-CB 4.14Å; W437-A676 WeakPolarHBondContact O-CB 3.32Å; W437-L679 HydrophobicContact CE3-CB 4.32Å; W437-L679 HydrophobicContact CE3-CD2 4.06Å; W437-L679 HydrophobicContact CH2-CD2 4.15Å; W437-L679 HydrophobicContact CZ3-CB 3.75Å; W437-L679 HydrophobicContact CZ3-CD2 3.44Å; W437-L679 VanDerWaalsContact CZ3-CD2 3.44Å; W437-L679 HydrophobicContact CZ3-CG 4.12Å
438	C	98.1	Very high	93.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-14.1	-173.5	65.1	0	0	0	0	114.5	S436 T518 L679	S436-C438 VanDerWaalsContact C-N 3.3Å; S436-C438 PolarHBondContact O-N 3.44Å; S436-C438 VanDerWaalsContact O-N 3.15Å; C438-T518 HydrophobicContact CB-CG2 3.92Å; C438-L679 HydrophobicContact CB-CD2 4.09Å
439	I	98.7	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148	-4.5	-169.7	-163.6	58	0	0	0	115.2	V405 A407 S436 Y465 S466 N480	V405-I439 HydrophobicContact CB-CD1 3.74Å; V405-I439 HydrophobicContact CG2-CD1 3.63Å; A407-I439 HydrophobicContact CB-CB 3.72Å; A407-I439 HydrophobicContact CB-CD1 4.38Å; A407-I439 HydrophobicContact CB-CG1 3.85Å; A407-I439 HydrophobicContact CB-CG2 3.9Å; S436-I439 PolarHBondContact O-N 2.97Å; I439-Y465 CarbonylContact O-C 3.5Å; I439-Y465 WeakPolarHBondContact O-CA 3.34Å; I439-Y465 WeakPolarHBondContact O-CB 3.43Å; I439-S466 PolarHBondContact O-N 3.08Å; I439-S466 PolarHBondContact O-OG 3.48Å; I439-N480 HydrophobicContact CG1-CB 3.94Å; I439-N480 HydrophobicContact CG2-CB 3.74Å; I439-N480 VanDerWaalsContact CG2-CG 3.44Å; I439-N480 WeakPolarHBondContact CG2-ND2 3.22Å
440	G	98.3	Very high	94.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-75.5	146.6	176.2	0	0	0	0	0	112.9	R433 G434 S436 T450 P452	R433-G440 VanDerWaalsContact O-CA 3.26Å; R433-G440 WeakPolarHBondContact O-CA 3.49Å; G434-G440 CarbonylContact O-C 3.47Å; G434-G440 VanDerWaalsContact O-C 3.26Å; G434-G440 WeakPolarHBondContact O-CA 3Å; S436-G440 WeakPolarHBondContact O-CA 3.42Å; S436-G440 PolarHBondContact O-N 3.46Å; G440-T450 VanDerWaalsContact O-CB 3.22Å; G440-T450 WeakPolarHBondContact O-CB 3.36Å; G440-T450 PolarHBondContact O-OG1 2.94Å; G440-P452 WeakPolarHBondContact O-CD 3.46Å; G440-P452 WeakPolarHBondContact O-CG 3.49Å
441	G	97.2	Very high	95.6	Very high	4 Å²	4	21 Å²	21	4%	0.041	13%	0.129	C	C	.	.			trans	-130.1	15.6	-177.9	0	0	0	0	0	115.4	G434 K456 S466 L467	G434-G441 PolarHBondContact O-N 3.13Å; G434-G441 VanDerWaalsContact O-N 3.1Å; G441-K456 PolarHBondContact O-NZ 3.23Å; G441-S466 PolarHBondContact N-O 3.36Å; G441-L467 WeakPolarHBondContact O-CD2 3.42Å
442	D	96.4	Very high	95.8	Very high	43 Å²	43	19.5 Å²	19.5	23%	0.23	12%	0.122	C	C	.	.	S	Bend	trans	-66.3	144.6	176.5	-76.5	-4.9	0	0	0	111.1	G434 L435 V448 N453 L467 G468	G434-D442 VanDerWaalsContact CA-CG 3.45Å; G434-D442 WeakPolarHBondContact CA-OD2 3.34Å; G434-D442 WeakPolarHBondContact O-CB 3.42Å; G434-D442 PolarHBondContact O-N 3.35Å; L435-D442 HydrophobicContact CD2-CB 4.08Å; D442-V448 WeakPolarHBondContact O-CB 3.11Å; D442-N453 PolarHBondContact O-ND2 2.91Å; D442-L467 WeakPolarHBondContact OD1-CA 3.35Å; D442-L467 WeakPolarHBondContact OD1-CD2 3.35Å; D442-G468 PolarHBondContact OD1-N 2.9Å; D442-G468 PolarHBondContact OD2-N 2.96Å
443	G	92.9	Very high	95.9	Very high	55 Å²	55	17.9 Å²	17.9	57%	0.567	12%	0.116	S	C	*	.	S	Bend	trans	61.9	-146.5	-179.5	0	0	0	0	0	113.4
444	N	91.9	Very high	96	Very high	77 Å²	77	17.9 Å²	17.9	41%	0.412	12%	0.116	S	C	.	.			trans	-135.6	176.6	173.6	64.9	48.7	0	0	0	110	T446 T447 V448	N444-T446 PolarHBondContact O-N 2.85Å; N444-T446 WeakPolarHBondContact OD1-CA 3.1Å; N444-T446 WeakPolarHBondContact OD1-CB 3.4Å; N444-T446 PolarHBondContact OD1-N 3.22Å; N444-T446 PolarHBondContact OD1-OG1 2.85Å; N444-T447 PolarHBondContact N-OG1 2.88Å; N444-T447 VanDerWaalsContact N-OG1 3.1Å; N444-T447 PolarHBondContact O-N 2.8Å; N444-T447 PolarHBondContact O-OG1 3.3Å; N444-T447 PolarHBondContact OD1-N 3.27Å; N444-V448 CarbonylContact O-C 3.28Å; N444-V448 PolarHBondContact O-N 3.13Å; N444-V448 VanDerWaalsContact O-O 3.08Å
445	L	93.4	Very high	96	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.2	-176.4	-174.1	58.3	0	0	0	113.8	G376 T377 L379 T447 T449 N453 I454 H457 L702	G376-L445 CarbonylContact C-O 3.57Å; G376-L445 VanDerWaalsContact CA-O 3.22Å; G376-L445 WeakPolarHBondContact CA-O 3.38Å; T377-L445 PolarHBondContact N-O 3.25Å; T377-L445 WeakPolarHBondContact O-CG 3.38Å; L379-L445 HydrophobicContact CB-CD2 3.65Å; L379-L445 HydrophobicContact CD2-CD2 4.44Å; L445-T447 PolarHBondContact O-N 3.21Å; L445-T449 HydrophobicContact CD1-CG2 3.92Å; L445-N453 HydrophobicContact CB-CB 4.48Å; L445-I454 HydrophobicContact CD1-CG1 3.51Å; L445-I454 HydrophobicContact CD2-CG1 4.32Å; L445-H457 WeakPolarHBondContact CB-NE2 3.44Å; L445-L702 HydrophobicContact CD2-CD1 4.49Å
446	T	90.3	Very high	96	Very high	83 Å²	83	18.6 Å²	18.6	51%	0.509	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.9	179.4	68.3	0	0	0	0	113.8	G376 N444	G376-T446 VanDerWaalsContact CA-C 3.44Å; G376-T446 WeakPolarHBondContact CA-O 3.04Å; N444-T446 PolarHBondContact O-N 2.85Å; N444-T446 WeakPolarHBondContact OD1-CA 3.1Å; N444-T446 WeakPolarHBondContact OD1-CB 3.4Å; N444-T446 PolarHBondContact OD1-N 3.22Å; N444-T446 PolarHBondContact OD1-OG1 2.85Å
447	T	89	Confident	95.8	Very high	67 Å²	67	21.1 Å²	21.1	41%	0.411	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-34.8	178.6	58.3	0	0	0	0	113.2	T375 N444 L445	T375-T447 PolarHBondContact OG1-O 3.47Å; N444-T447 PolarHBondContact N-OG1 2.88Å; N444-T447 VanDerWaalsContact N-OG1 3.1Å; N444-T447 PolarHBondContact O-N 2.8Å; N444-T447 PolarHBondContact O-OG1 3.3Å; N444-T447 PolarHBondContact OD1-N 3.27Å; L445-T447 PolarHBondContact O-N 3.21Å
448	V	93.2	Very high	95.7	Very high	16 Å²	16	21.9 Å²	21.9	10%	0.097	13%	0.133	C	C	.	.			trans	-143.7	107.9	-173.6	-177.8	0	0	0	0	108.2	L435 D442 N444 T450 N453	L435-V448 HydrophobicContact CD2-CG1 3.74Å; L435-V448 HydrophobicContact CD2-CG2 4.17Å; D442-V448 WeakPolarHBondContact O-CB 3.11Å; N444-V448 CarbonylContact O-C 3.28Å; N444-V448 PolarHBondContact O-N 3.13Å; N444-V448 VanDerWaalsContact O-O 3.08Å; V448-T450 HydrophobicContact CG1-CG2 4.06Å; V448-T450 PolarHBondContact O-N 3.49Å; V448-N453 PolarHBondContact O-ND2 2.74Å
449	T	95.4	Very high	95.5	Very high	2 Å²	2	23 Å²	23	1%	0.012	14%	0.139	C	C	.	.			trans	-85.4	110.1	179.8	-54.7	0	0	0	0	111.1	T375 T377 L445 I454 T673 A676 R677	T375-T449 WeakPolarHBondContact O-CB 3.48Å; T375-T449 PolarHBondContact O-N 3.17Å; T375-T449 PolarHBondContact O-OG1 2.95Å; T377-T449 WeakPolarHBondContact CB-OG1 3.35Å; T377-T449 PolarHBondContact N-OG1 2.96Å; T377-T449 WeakPolarHBondContact OG1-CG2 3.13Å; T377-T449 PolarHBondContact OG1-OG1 3Å; L445-T449 HydrophobicContact CD1-CG2 3.92Å; T449-I454 HydrophobicContact CG2-CD1 4.45Å; T449-T673 HydrophobicContact CG2-CG2 4.29Å; T449-A676 HydrophobicContact CG2-CB 4.18Å; T449-R677 HydrophobicContact CG2-CG 3.85Å
450	T	97.8	Very high	95.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.			trans	-138.4	159.8	171.8	62.8	0	0	0	0	109.4	S436 W437 G440 V448 N453 I454	S436-T450 VanDerWaalsContact O-CG2 3.26Å; S436-T450 WeakPolarHBondContact O-CG2 3.07Å; W437-T450 CarbonylContact O-C 3.54Å; W437-T450 WeakPolarHBondContact O-CA 3.26Å; G440-T450 VanDerWaalsContact O-CB 3.22Å; G440-T450 WeakPolarHBondContact O-CB 3.36Å; G440-T450 PolarHBondContact O-OG1 2.94Å; V448-T450 HydrophobicContact CG1-CG2 4.06Å; V448-T450 PolarHBondContact O-N 3.49Å; T450-N453 PolarHBondContact O-N 2.81Å; T450-N453 VanDerWaalsContact O-N 3.11Å; T450-N453 WeakPolarHBondContact OG1-CB 3.22Å; T450-N453 PolarHBondContact OG1-N 2.91Å; T450-N453 PolarHBondContact OG1-ND2 2.93Å; T450-I454 WeakPolarHBondContact O-CG1 3.41Å; T450-I454 PolarHBondContact O-N 3.14Å
451	L	98.4	Very high	95.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-44.9	176.8	177.2	66.2	0	0	0	112.8	W437 N453 I454 L455 L516 L679 W680 M683	W437-L451 PolarHBondContact O-N 2.82Å; L451-N453 PolarHBondContact O-N 2.92Å; L451-I454 PolarHBondContact O-N 3.46Å; L451-L455 HydrophobicContact CD1-CD1 4.35Å; L451-L455 HydrophobicContact CD1-CG 4.43Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 WeakPolarHBondContact O-CG 3.41Å; L451-L455 PolarHBondContact O-N 3.48Å; L451-L516 HydrophobicContact CD2-CD2 3.88Å; L451-L679 HydrophobicContact CD2-CD2 3.82Å; L451-W680 HydrophobicContact CD1-CE3 3.87Å; L451-M683 HydrophobicContact CD1-SD 4.15Å; L451-M683 HydrophobicContact CD2-SD 4.45Å
452	P	98.4	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-38.4	174.8	-24.5	35.7	0	0	0	113.4	V405 G440 I454 L455 K456 Y465	V405-P452 HydrophobicContact CG2-CB 4.36Å; V405-P452 HydrophobicContact CG2-CG 4.05Å; G440-P452 WeakPolarHBondContact O-CD 3.46Å; G440-P452 WeakPolarHBondContact O-CG 3.49Å; P452-I454 VanDerWaalsContact C-N 3.31Å; P452-I454 PolarHBondContact O-N 3.05Å; P452-L455 PolarHBondContact O-N 3.33Å; P452-K456 WeakPolarHBondContact O-CG 3.37Å; P452-K456 PolarHBondContact O-N 3.45Å; P452-Y465 HydrophobicContact CB-CD1 4.18Å; P452-Y465 HydrophobicContact CB-CG 4.18Å
453	N	97.9	Very high	95.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-30.3	177.4	-76.4	-14.3	0	0	0	112.5	D442 L445 V448 T450 L451 K456 H457	D442-N453 PolarHBondContact O-ND2 2.91Å; L445-N453 HydrophobicContact CB-CB 4.48Å; V448-N453 PolarHBondContact O-ND2 2.74Å; T450-N453 PolarHBondContact O-N 2.81Å; T450-N453 VanDerWaalsContact O-N 3.11Å; T450-N453 WeakPolarHBondContact OG1-CB 3.22Å; T450-N453 PolarHBondContact OG1-N 2.91Å; T450-N453 PolarHBondContact OG1-ND2 2.93Å; L451-N453 PolarHBondContact O-N 2.92Å; N453-K456 PolarHBondContact OD1-NZ 2.9Å; N453-H457 PolarHBondContact O-CD2 3.06Å
454	I	97.6	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-49	168.5	-61.4	166.9	0	0	0	110.1	L379 L445 T449 T450 L451 P452 K456 H457 F458 W680 L702	L379-I454 HydrophobicContact CD1-CG2 4.47Å; L379-I454 HydrophobicContact CD2-CG2 4.47Å; L445-I454 HydrophobicContact CD1-CG1 3.51Å; L445-I454 HydrophobicContact CD2-CG1 4.32Å; T449-I454 HydrophobicContact CG2-CD1 4.45Å; T450-I454 WeakPolarHBondContact O-CG1 3.41Å; T450-I454 PolarHBondContact O-N 3.14Å; L451-I454 PolarHBondContact O-N 3.46Å; P452-I454 VanDerWaalsContact C-N 3.31Å; P452-I454 PolarHBondContact O-N 3.05Å; I454-K456 VanDerWaalsContact C-N 3.29Å; I454-K456 PolarHBondContact O-N 3.5Å; I454-H457 WeakPolarHBondContact O-CB 3.39Å; I454-H457 PolarHBondContact O-N 3.48Å; I454-H457 VanDerWaalsContact O-N 3.12Å; I454-F458 HydrophobicContact CG2-CE2 4.34Å; I454-W680 HydrophobicContact CB-CE3 4.31Å; I454-W680 HydrophobicContact CD1-CB 3.8Å; I454-W680 HydrophobicContact CD1-CD2 4.41Å; I454-W680 HydrophobicContact CD1-CG 4.03Å; I454-W680 HydrophobicContact CG2-CD2 3.52Å; I454-W680 HydrophobicContact CG2-CE3 3.54Å; I454-W680 HydrophobicContact CG2-CG 4.15Å; I454-W680 HydrophobicContact CG2-CH2 3.86Å; I454-W680 HydrophobicContact CG2-CZ2 3.87Å; I454-W680 HydrophobicContact CG2-CZ3 3.71Å; I454-L702 HydrophobicContact CD1-CD1 4.01Å; I454-L702 HydrophobicContact CD1-CD2 4.14Å; I454-L702 HydrophobicContact CG1-CD1 4.12Å
455	L	97.7	Very high	95.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-32.9	-178.9	-73.6	168.8	0	0	0	113.4	P399 I402 V405 L451 P452 H457 F458 N459 V462 L516 W680	P399-L455 HydrophobicContact CB-CD2 4.25Å; I402-L455 HydrophobicContact CB-CD2 4.48Å; I402-L455 HydrophobicContact CG2-CD1 4.28Å; V405-L455 HydrophobicContact CG1-CD1 3.51Å; L451-L455 HydrophobicContact CD1-CD1 4.35Å; L451-L455 HydrophobicContact CD1-CG 4.43Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 WeakPolarHBondContact O-CG 3.41Å; L451-L455 PolarHBondContact O-N 3.48Å; P452-L455 PolarHBondContact O-N 3.33Å; L455-H457 PolarHBondContact O-N 3.12Å; L455-H457 VanDerWaalsContact O-N 3.13Å; L455-F458 WeakPolarHBondContact O-CA 3.14Å; L455-F458 WeakPolarHBondContact O-CB 3.22Å; L455-F458 PolarHBondContact O-N 3.44Å; L455-N459 PolarHBondContact O-N 3.29Å; L455-V462 HydrophobicContact CB-CG1 4.49Å; L455-L516 HydrophobicContact CD1-CD2 3.97Å; L455-W680 HydrophobicContact CD2-CZ3 3.86Å; L455-W680 HydrophobicContact CG-CZ3 4.38Å
456	K	96.5	Very high	96	Very high	38 Å²	38	33.6 Å²	33.6	17%	0.165	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.1	175.7	-76.6	171.8	-171.3	165.8	0	113.4	G441 P452 N453 I454 F458 N459 H460 V462 Y465	G441-K456 PolarHBondContact O-NZ 3.23Å; P452-K456 WeakPolarHBondContact O-CG 3.37Å; P452-K456 PolarHBondContact O-N 3.45Å; N453-K456 PolarHBondContact OD1-NZ 2.9Å; I454-K456 VanDerWaalsContact C-N 3.29Å; I454-K456 PolarHBondContact O-N 3.5Å; K456-F458 VanDerWaalsContact C-N 3.27Å; K456-F458 PolarHBondContact O-N 3.43Å; K456-N459 WeakPolarHBondContact CA-O 3.06Å; K456-N459 CarbonylContact O-C 3.57Å; K456-H460 PolarHBondContact O-N 2.99Å; K456-V462 HydrophobicContact CG-CG1 3.63Å; K456-Y465 VanDerWaalsContact CE-CE1 3.41Å
457	H	94.4	Very high	96.3	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.245	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.9	173.8	-80.2	-109.3	0	0	0	113.3	L379 R384 L445 N453 I454 L455	L379-H457 HydrophobicContact CD2-CB 3.69Å; R384-H457 WeakPolarHBondContact CD-O 3.49Å; R384-H457 PolarHBondContact NH1-ND1 2.93Å; L445-H457 WeakPolarHBondContact CB-NE2 3.44Å; N453-H457 PolarHBondContact O-CD2 3.06Å; I454-H457 WeakPolarHBondContact O-CB 3.39Å; I454-H457 PolarHBondContact O-N 3.48Å; I454-H457 VanDerWaalsContact O-N 3.12Å; L455-H457 PolarHBondContact O-N 3.12Å; L455-H457 VanDerWaalsContact O-N 3.13Å
458	F	95.3	Very high	96.4	Very high	16 Å²	16	30.4 Å²	30.4	7%	0.07	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-42.4	178.4	-64.1	-87.1	0	0	0	111.3	L379 C381 R384 P399 A400 I454 L455 K456 W680	L379-F458 HydrophobicContact CD2-CD2 4.41Å; L379-F458 HydrophobicContact CD2-CE2 3.57Å; L379-F458 HydrophobicContact CD2-CZ 3.93Å; C381-F458 HydrophobicContact CB-CE1 4.41Å; C381-F458 HydrophobicContact CB-CZ 4.15Å; R384-F458 HydrophobicContact CB-CD1 3.95Å; R384-F458 HydrophobicContact CB-CE1 4.36Å; R384-F458 HydrophobicContact CG-CD1 4.18Å; R384-F458 HydrophobicContact CG-CE1 4.15Å; P399-F458 HydrophobicContact CB-CB 4.17Å; P399-F458 HydrophobicContact CB-CD1 3.95Å; P399-F458 HydrophobicContact CB-CD2 4.01Å; P399-F458 HydrophobicContact CB-CE1 4.34Å; P399-F458 HydrophobicContact CB-CE2 4.38Å; P399-F458 HydrophobicContact CB-CG 3.78Å; P399-F458 HydrophobicContact CG-CD1 4.45Å; P399-F458 HydrophobicContact CG-CE1 4.42Å; A400-F458 HydrophobicContact CB-CB 3.9Å; A400-F458 WeakPolarHBondContact CB-O 3.11Å; I454-F458 HydrophobicContact CG2-CE2 4.34Å; L455-F458 WeakPolarHBondContact O-CA 3.14Å; L455-F458 WeakPolarHBondContact O-CB 3.22Å; L455-F458 PolarHBondContact O-N 3.44Å; K456-F458 VanDerWaalsContact C-N 3.27Å; K456-F458 PolarHBondContact O-N 3.43Å; F458-W680 AromaticContact CD2-CH2 3.85Å; F458-W680 HydrophobicContact CD2-CH2 3.85Å; F458-W680 HydrophobicContact CD2-CZ2 4.41Å; F458-W680 AromaticContact CE2-CH2 3.29Å; F458-W680 HydrophobicContact CE2-CH2 3.29Å; F458-W680 AromaticContact CE2-CZ2 3.43Å; F458-W680 HydrophobicContact CE2-CZ2 3.43Å; F458-W680 VanDerWaalsContact CE2-CZ2 3.43Å; F458-W680 HydrophobicContact CE2-CZ3 4.4Å; F458-W680 AromaticContact CZ-CH2 3.86Å; F458-W680 HydrophobicContact CZ-CH2 3.86Å; F458-W680 AromaticContact CZ-CZ2 3.69Å; F458-W680 HydrophobicContact CZ-CZ2 3.69Å
459	N	95.6	Very high	96.1	Very high	25 Å²	25	32.5 Å²	32.5	13%	0.134	17%	0.169	C	C	.	.			trans	-135.9	102.1	176.9	-179.4	9	0	0	0	110.9	I402 L455 K456 N461 V462	I402-N459 PolarHBondContact O-ND2 2.66Å; L455-N459 PolarHBondContact O-N 3.29Å; K456-N459 WeakPolarHBondContact CA-O 3.06Å; K456-N459 CarbonylContact O-C 3.57Å; N459-N461 PolarHBondContact O-N 3.18Å; N459-N461 VanDerWaalsContact O-N 3.13Å; N459-N461 WeakPolarHBondContact OD1-CB 3.31Å; N459-N461 PolarHBondContact OD1-N 2.68Å; N459-V462 WeakPolarHBondContact O-CG1 3.46Å; N459-V462 PolarHBondContact O-N 2.81Å
460	H	94.4	Very high	95.5	Very high	156 Å²	156	33.1 Å²	33.1	72%	0.722	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.7	178.6	-62.8	83.8	0	0	0	113.6	K456	K456-H460 PolarHBondContact O-N 2.99Å
461	N	95	Very high	95.1	Very high	137 Å²	137	36.2 Å²	36.2	73%	0.733	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	10.4	-179.3	-63.6	-28.7	0	0	0	113.1	N459 T463	N459-N461 PolarHBondContact O-N 3.18Å; N459-N461 VanDerWaalsContact O-N 3.13Å; N459-N461 WeakPolarHBondContact OD1-CB 3.31Å; N459-N461 PolarHBondContact OD1-N 2.68Å; N461-T463 PolarHBondContact O-N 3.11Å
462	V	97.4	Very high	94.9	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	20%	0.202	C	C	.	.			trans	-56.9	133.8	173	69.6	0	0	0	0	109.5	K403 V405 L455 K456 N459 Y465	K403-V462 CarbonylContact O-C 3.53Å; K403-V462 WeakPolarHBondContact O-CA 3.32Å; V405-V462 HydrophobicContact CG1-CG2 4.01Å; V405-V462 HydrophobicContact CG2-CG2 4.4Å; L455-V462 HydrophobicContact CB-CG1 4.49Å; K456-V462 HydrophobicContact CG-CG1 3.63Å; N459-V462 WeakPolarHBondContact O-CG1 3.46Å; N459-V462 PolarHBondContact O-N 2.81Å; V462-Y465 HydrophobicContact CG1-CE1 4.5Å; V462-Y465 VanDerWaalsContact O-CE1 3.27Å; V462-Y465 WeakPolarHBondContact O-CE1 3.48Å
463	T	97.6	Very high	94.5	Very high	42 Å²	42	43.8 Å²	43.8	26%	0.258	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-124.2	175.2	178.5	-166.3	0	0	0	0	110.2	K403 V404 V405 N461 F478 I508	K403-T463 PolarHBondContact O-N 2.85Å; V404-T463 CarbonylContact C-O 3.05Å; V404-T463 WeakPolarHBondContact CA-O 3.25Å; V404-T463 HydrophobicContact CG2-CG2 4.11Å; V405-T463 WeakPolarHBondContact CG2-O 3.45Å; V405-T463 PolarHBondContact N-O 3.34Å; N461-T463 PolarHBondContact O-N 3.11Å; T463-F478 WeakPolarHBondContact OG1-CE1 3.43Å; T463-I508 HydrophobicContact CG2-CG1 4.16Å
464	G	97.6	Very high	94.2	Very high	1 Å²	1	46 Å²	46	1%	0.01	24%	0.242	C	C	.	.			trans	104.5	-21.4	176.4	0	0	0	0	0	114.6	V405 F478 L479	V405-G464 CarbonylContact O-C 3.24Å; V405-G464 WeakPolarHBondContact O-CA 3.39Å; G464-F478 VanDerWaalsContact C-CD1 3.5Å; G464-F478 VanDerWaalsContact N-CE1 3.29Å; G464-L479 WeakPolarHBondContact O-CB 3.34Å; G464-L479 PolarHBondContact O-N 3.47Å
465	Y	98.3	Very high	93.9	Very high	61 Å²	61	51.5 Å²	51.5	24%	0.239	28%	0.279	C	S	.	.			trans	-68.7	155.2	-178.9	59.5	-103.4	0	0	0	112.7	I439 P452 K456 V462 L467	I439-Y465 CarbonylContact O-C 3.5Å; I439-Y465 WeakPolarHBondContact O-CA 3.34Å; I439-Y465 WeakPolarHBondContact O-CB 3.43Å; P452-Y465 HydrophobicContact CB-CD1 4.18Å; P452-Y465 HydrophobicContact CB-CG 4.18Å; K456-Y465 VanDerWaalsContact CE-CE1 3.41Å; V462-Y465 HydrophobicContact CG1-CE1 4.5Å; V462-Y465 VanDerWaalsContact O-CE1 3.27Å; V462-Y465 WeakPolarHBondContact O-CE1 3.48Å; Y465-L467 HydrophobicContact CD2-CD2 4.07Å; Y465-L467 HydrophobicContact CD2-CG 4.14Å; Y465-L467 HydrophobicContact CE2-CD1 4.18Å; Y465-L467 HydrophobicContact CE2-CD2 3.76Å; Y465-L467 HydrophobicContact CE2-CG 3.9Å
466	S	98.3	Very high	93.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-89.5	152.6	175.6	45.2	0	0	0	0	112.9	R433 G434 I439 G441 Q476 A477 N480	R433-S466 PolarHBondContact O-OG 3.38Å; G434-S466 WeakPolarHBondContact CA-O 3.32Å; I439-S466 PolarHBondContact O-N 3.08Å; I439-S466 PolarHBondContact O-OG 3.48Å; G441-S466 PolarHBondContact N-O 3.36Å; S466-Q476 CarbonylContact C-O 3.33Å; S466-Q476 VanDerWaalsContact CA-O 3.23Å; S466-Q476 WeakPolarHBondContact CA-O 3.3Å; S466-A477 WeakPolarHBondContact CB-O 3.33Å; S466-N480 PolarHBondContact OG-ND2 3.03Å
467	L	96.8	Very high	93.6	Very high	63 Å²	63	54.5 Å²	54.5	33%	0.33	29%	0.293	S	S	.	.			trans	-127.3	149.2	177.5	-68.6	175	0	0	0	111.1	G441 D442 Y465 Q476	G441-L467 WeakPolarHBondContact O-CD2 3.42Å; D442-L467 WeakPolarHBondContact OD1-CA 3.35Å; D442-L467 WeakPolarHBondContact OD1-CD2 3.35Å; Y465-L467 HydrophobicContact CD2-CD2 4.07Å; Y465-L467 HydrophobicContact CD2-CG 4.14Å; Y465-L467 HydrophobicContact CE2-CD1 4.18Å; Y465-L467 HydrophobicContact CE2-CD2 3.76Å; Y465-L467 HydrophobicContact CE2-CG 3.9Å; L467-Q476 HydrophobicContact CB-CB 4.32Å; L467-Q476 PolarHBondContact N-O 3.31Å; L467-Q476 VanDerWaalsContact O-CB 3.27Å; L467-Q476 WeakPolarHBondContact O-CB 3.44Å
468	G	90.5	Very high	93.7	Very high	20 Å²	20	54.2 Å²	54.2	21%	0.206	29%	0.291	C	S	.	.	S	Bend	trans	59.1	-143	172.3	0	0	0	0	0	114.7	Y432 R433 G434 D442	Y432-G468 CarbonylContact C-O 3.5Å; R433-G468 PolarHBondContact N-O 3.1Å; R433-G468 VanDerWaalsContact N-O 3.14Å; G434-G468 PolarHBondContact N-O 2.95Å; D442-G468 PolarHBondContact OD1-N 2.9Å; D442-G468 PolarHBondContact OD2-N 2.96Å
469	V	87.1	Confident	93.9	Very high	61 Å²	61	53.4 Å²	53.4	37%	0.37	29%	0.288	S	S	.	.	S	Bend	trans	-121.5	135.8	-173	175.3	0	0	0	0	110.1	R430 Q431 Y432 N474	R430-V469 HydrophobicContact CG-CG1 3.33Å; R430-V469 HydrophobicContact CG-CG2 4.49Å; Q431-V469 VanDerWaalsContact O-CA 3.29Å; Q431-V469 WeakPolarHBondContact O-CA 3.42Å; Y432-V469 HydrophobicContact CD1-CG2 3.64Å; Y432-V469 HydrophobicContact CE1-CG2 3.97Å; Y432-V469 HydrophobicContact CG-CG2 4.27Å; V469-N474 PolarHBondContact O-ND2 3.11Å
470	G	83.4	Confident	94	Very high	15 Å²	15	52.2 Å²	52.2	16%	0.155	28%	0.282	C	S	.	.			trans	166.7	170.2	175.2	0	0	0	0	0	114.2	Q431 R433	Q431-G470 WeakPolarHBondContact CB-O 3.43Å; Q431-G470 PolarHBondContact O-N 3.42Å; Q431-G470 VanDerWaalsContact O-N 3.08Å; Q431-G470 PolarHBondContact OE1-O 3.27Å; R433-G470 WeakPolarHBondContact CD-O 3.44Å; R433-G470 PolarHBondContact NE-O 2.89Å
471	D	89.2	Confident	94.2	Very high	65 Å²	65	45.1 Å²	45.1	35%	0.348	25%	0.248	S	C	.	.			trans	-76.9	-179	172.6	78.9	-6.9	0	0	0	112.1	R433 N473 N474 A477	R433-D471 VanDerWaalsContact NE-C 3.32Å; R433-D471 PolarHBondContact NE-O 2.86Å; D471-N473 PolarHBondContact O-N 3.43Å; D471-N473 WeakPolarHBondContact OD1-CA 3.44Å; D471-N473 WeakPolarHBondContact OD1-CB 3.32Å; D471-N473 PolarHBondContact OD1-N 3.47Å; D471-N473 PolarHBondContact OD2-ND2 2.72Å; D471-N473 VanDerWaalsContact OD2-ND2 3.15Å; D471-N474 WeakPolarHBondContact O-CB 3.09Å; D471-N474 PolarHBondContact O-N 3.31Å; D471-N474 PolarHBondContact OD1-N 2.67Å; D471-A477 VanDerWaalsContact O-CB 3.24Å; D471-A477 WeakPolarHBondContact O-CB 3.3Å
472	Q	94.1	Very high	94.4	Very high	47 Å²	47	38.6 Å²	38.6	22%	0.22	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.3	-179.5	71.9	-79.7	13.7	0	0	114.3	R433 Q481 V483 K501	R433-Q472 VanDerWaalsContact NH2-N 3.15Å; Q472-Q481 PolarHBondContact O-NE2 3.41Å; Q472-V483 HydrophobicContact CG-CG2 4.13Å; Q472-K501 PolarHBondContact O-NZ 3.49Å
473	N	89.7	Confident	94.4	Very high	113 Å²	113	40.4 Å²	40.4	60%	0.604	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-19	179.9	-55.9	-54.2	0	0	0	111.9	D471	D471-N473 PolarHBondContact O-N 3.43Å; D471-N473 WeakPolarHBondContact OD1-CA 3.44Å; D471-N473 WeakPolarHBondContact OD1-CB 3.32Å; D471-N473 PolarHBondContact OD1-N 3.47Å; D471-N473 PolarHBondContact OD2-ND2 2.72Å; D471-N473 VanDerWaalsContact OD2-ND2 3.15Å
474	N	91.8	Very high	94.2	Very high	46 Å²	46	40.4 Å²	40.4	25%	0.246	23%	0.225	C	C	.	.	S	Bend	trans	-56.8	131.5	174.3	-172.3	-49.2	0	0	0	110	V469 D471 Q476 A477	V469-N474 PolarHBondContact O-ND2 3.11Å; D471-N474 WeakPolarHBondContact O-CB 3.09Å; D471-N474 PolarHBondContact O-N 3.31Å; D471-N474 PolarHBondContact OD1-N 2.67Å; N474-Q476 PolarHBondContact O-N 3.02Å; N474-Q476 VanDerWaalsContact O-N 3.11Å; N474-Q476 WeakPolarHBondContact OD1-CB 3.49Å; N474-Q476 PolarHBondContact OD1-N 3.27Å; N474-A477 HydrophobicContact CB-CB 4.5Å; N474-A477 VanDerWaalsContact O-CB 3.25Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 3.34Å
475	P	91.4	Very high	93.9	Very high	117 Å²	117	42 Å²	42	76%	0.76	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-52.9	-33.7	177.3	-28.4	35.6	0	0	0	114	A477 F478	P475-A477 VanDerWaalsContact C-N 3.3Å; P475-A477 PolarHBondContact O-N 3.15Å; P475-F478 PolarHBondContact O-N 2.76Å
476	Q	93.3	Very high	93.7	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-75.7	-13.5	178.5	-57.6	-170.6	-60.6	0	0	113.7	S466 L467 N474 F478	S466-Q476 CarbonylContact C-O 3.33Å; S466-Q476 VanDerWaalsContact CA-O 3.23Å; S466-Q476 WeakPolarHBondContact CA-O 3.3Å; L467-Q476 HydrophobicContact CB-CB 4.32Å; L467-Q476 PolarHBondContact N-O 3.31Å; L467-Q476 VanDerWaalsContact O-CB 3.27Å; L467-Q476 WeakPolarHBondContact O-CB 3.44Å; N474-Q476 PolarHBondContact O-N 3.02Å; N474-Q476 VanDerWaalsContact O-N 3.11Å; N474-Q476 WeakPolarHBondContact OD1-CB 3.49Å; N474-Q476 PolarHBondContact OD1-N 3.27Å; Q476-F478 PolarHBondContact O-N 3.11Å
477	A	94.8	Very high	93.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-70.3	-24.7	170.1	0	0	0	0	0	112.1	R433 S466 D471 N474 P475 L479 N480	R433-A477 VanDerWaalsContact CD-CB 3.44Å; S466-A477 WeakPolarHBondContact CB-O 3.33Å; D471-A477 VanDerWaalsContact O-CB 3.24Å; D471-A477 WeakPolarHBondContact O-CB 3.3Å; N474-A477 HydrophobicContact CB-CB 4.5Å; N474-A477 VanDerWaalsContact O-CB 3.25Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 3.34Å; P475-A477 VanDerWaalsContact C-N 3.3Å; P475-A477 PolarHBondContact O-N 3.15Å; A477-L479 PolarHBondContact O-N 3.17Å; A477-L479 VanDerWaalsContact O-N 3.11Å; A477-N480 VanDerWaalsContact O-CB 3.31Å; A477-N480 WeakPolarHBondContact O-CB 3.47Å; A477-N480 PolarHBondContact O-N 3.32Å
478	F	97	Very high	93.5	Very high	47 Å²	47	38.1 Å²	38.1	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.9	-108.5	179.5	-163.9	-147.7	0	0	0	114.6	T463 G464 P475 Q476 Q481 K501 D505 I508	T463-F478 WeakPolarHBondContact OG1-CE1 3.43Å; G464-F478 VanDerWaalsContact C-CD1 3.5Å; G464-F478 VanDerWaalsContact N-CE1 3.29Å; P475-F478 PolarHBondContact O-N 2.76Å; Q476-F478 PolarHBondContact O-N 3.11Å; F478-Q481 PolarHBondContact O-NE2 3.18Å; F478-Q481 VanDerWaalsContact O-NE2 3.15Å; F478-K501 PolarHBondContact O-NZ 2.97Å; F478-D505 WeakPolarHBondContact CE2-OD2 3.28Å; F478-D505 WeakPolarHBondContact CZ-OD2 3.5Å; F478-I508 HydrophobicContact CZ-CD1 4.06Å
479	L	98.6	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.5	179.1	-56	-177.3	0	0	0	114.2	V404 A406 A407 G464 A477 Q481 L498 K501 M502 I508	V404-L479 HydrophobicContact CG1-CD1 3.47Å; V404-L479 VanDerWaalsContact CG1-CD1 3.47Å; A406-L479 HydrophobicContact CB-CB 3.93Å; A406-L479 HydrophobicContact CB-CD1 4.24Å; A407-L479 PolarHBondContact N-O 3.27Å; A407-L479 VanDerWaalsContact N-O 3.1Å; G464-L479 WeakPolarHBondContact O-CB 3.34Å; G464-L479 PolarHBondContact O-N 3.47Å; A477-L479 PolarHBondContact O-N 3.17Å; A477-L479 VanDerWaalsContact O-N 3.11Å; L479-Q481 PolarHBondContact O-N 2.98Å; L479-L498 HydrophobicContact CB-CD1 3.71Å; L479-L498 HydrophobicContact CD2-CD1 3.89Å; L479-L498 HydrophobicContact CG-CD1 4.25Å; L479-L498 WeakPolarHBondContact O-CD1 3.38Å; L479-K501 HydrophobicContact CD2-CB 3.86Å; L479-M502 HydrophobicContact CD1-CG 3.72Å; L479-M502 HydrophobicContact CD1-SD 4.23Å; L479-M502 HydrophobicContact CD2-CG 3.81Å; L479-M502 HydrophobicContact CG-CG 4.44Å; L479-I508 HydrophobicContact CD1-CD1 3.82Å
480	N	98.7	Very high	93.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-80.6	98.8	162.7	-176.6	-10.5	0	0	0	108.6	T413 R433 I439 S466 A477 A482	T413-N480 PolarHBondContact O-ND2 2.62Å; R433-N480 PolarHBondContact NH1-ND2 3.32Å; R433-N480 PolarHBondContact NH1-O 2.7Å; R433-N480 VanDerWaalsContact NH1-O 3.11Å; R433-N480 PolarHBondContact NH1-OD1 2.93Å; I439-N480 HydrophobicContact CG1-CB 3.94Å; I439-N480 HydrophobicContact CG2-CB 3.74Å; I439-N480 VanDerWaalsContact CG2-CG 3.44Å; I439-N480 WeakPolarHBondContact CG2-ND2 3.22Å; S466-N480 PolarHBondContact OG-ND2 3.03Å; A477-N480 VanDerWaalsContact O-CB 3.31Å; A477-N480 WeakPolarHBondContact O-CB 3.47Å; A477-N480 PolarHBondContact O-N 3.32Å; N480-A482 WeakPolarHBondContact OD1-CB 3.32Å; N480-A482 PolarHBondContact OD1-N 3.1Å
481	Q	98.6	Very high	94.4	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.028	23%	0.225	C	C	.	.			trans	-104.4	15.7	-178.1	-63.5	-56.7	-86.9	0	0	113.3	A407 V408 Q472 F478 L479 Q494 L498 K501	A407-Q481 PolarHBondContact O-N 3.01Å; V408-Q481 HydrophobicContact CG1-CB 4.2Å; Q472-Q481 PolarHBondContact O-NE2 3.41Å; F478-Q481 PolarHBondContact O-NE2 3.18Å; F478-Q481 VanDerWaalsContact O-NE2 3.15Å; L479-Q481 PolarHBondContact O-N 2.98Å; Q481-Q494 VanDerWaalsContact O-CD 3.26Å; Q481-Q494 WeakPolarHBondContact O-CG 3.32Å; Q481-Q494 PolarHBondContact O-OE1 2.86Å; Q481-Q494 VanDerWaalsContact O-OE1 3.09Å; Q481-L498 HydrophobicContact CG-CB 4.14Å; Q481-L498 HydrophobicContact CG-CD1 4.32Å; Q481-K501 HydrophobicContact CG-CD 4.37Å; Q481-K501 VanDerWaalsContact OE1-CE 3.3Å
482	A	98.6	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.			trans	-64.3	144.6	173	0	0	0	0	0	112.2	G409 D410 T413 A414 R433 N480	G409-A482 VanDerWaalsContact O-CA 3.3Å; G409-A482 WeakPolarHBondContact O-CA 3.32Å; G409-A482 WeakPolarHBondContact O-CB 3.39Å; D410-A482 WeakPolarHBondContact O-CB 3.37Å; T413-A482 VanDerWaalsContact CB-CB 3.5Å; T413-A482 HydrophobicContact CG2-CB 3.51Å; A414-A482 HydrophobicContact CB-CB 4.18Å; R433-A482 PolarHBondContact NH1-O 3.31Å; R433-A482 PolarHBondContact NH2-O 2.78Å; N480-A482 WeakPolarHBondContact OD1-CB 3.32Å; N480-A482 PolarHBondContact OD1-N 3.1Å
483	V	97.4	Very high	94.5	Very high	44 Å²	44	40.4 Å²	40.4	27%	0.267	23%	0.226	S	C	.	.			trans	-126.2	124.4	-175.6	179.2	0	0	0	0	109.4	G409 D410 Q472 G485 A486 Q494	G409-V483 PolarHBondContact O-N 3Å; D410-V483 WeakPolarHBondContact CA-O 3.15Å; Q472-V483 HydrophobicContact CG-CG2 4.13Å; V483-G485 PolarHBondContact O-N 3.01Å; V483-A486 HydrophobicContact CB-CB 4.12Å; V483-A486 WeakPolarHBondContact O-CB 3.13Å; V483-A486 PolarHBondContact O-N 2.67Å; V483-A486 VanDerWaalsContact O-N 3.14Å; V483-Q494 HydrophobicContact CG2-CG 4.34Å
484	P	93.9	Very high	94.9	Very high	41 Å²	41	35.6 Å²	35.6	27%	0.266	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	138	177.6	-23.5	34	0	0	0	112.3	A414 N416 Q431 A486	A414-P484 HydrophobicContact CB-CG 4.21Å; N416-P484 VanDerWaalsContact OD1-CG 3.25Å; N416-P484 WeakPolarHBondContact OD1-CG 3.26Å; Q431-P484 HydrophobicContact CG-CG 3.95Å; P484-A486 PolarHBondContact O-N 3.45Å
485	G	90.2	Very high	95.2	Very high	36 Å²	36	33.4 Å²	33.4	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-3	-177.6	0	0	0	0	0	115.6	V483 K487 N524	V483-G485 PolarHBondContact O-N 3.01Å; G485-K487 PolarHBondContact O-NZ 2.85Å; G485-N524 WeakPolarHBondContact CA-ND2 3.43Å
486	A	94.4	Very high	95.4	Very high	4 Å²	4	33 Å²	33	3%	0.033	17%	0.171	C	C	.	.			trans	-60.8	148.7	177.5	0	0	0	0	0	112.1	V483 P484 D490 I521 N524	V483-A486 HydrophobicContact CB-CB 4.12Å; V483-A486 WeakPolarHBondContact O-CB 3.13Å; V483-A486 PolarHBondContact O-N 2.67Å; V483-A486 VanDerWaalsContact O-N 3.14Å; P484-A486 PolarHBondContact O-N 3.45Å; A486-D490 HydrophobicContact CB-CB 4.14Å; A486-I521 HydrophobicContact CB-CD1 4.42Å; A486-I521 WeakPolarHBondContact O-CD1 3.29Å; A486-N524 VanDerWaalsContact O-CB 3.31Å; A486-N524 WeakPolarHBondContact O-CB 3.31Å; A486-N524 PolarHBondContact O-ND2 3.42Å
487	K	96.3	Very high	95.6	Very high	38 Å²	38	31 Å²	31	17%	0.165	17%	0.166	C	C	.	.			trans	-120.8	173.7	178.5	-61.8	-177.6	179.9	51.4	0	109.6	G485 R489 D490 N524 D525 A528 Y536	G485-K487 PolarHBondContact O-NZ 2.85Å; K487-R489 HydrophobicContact CB-CG 4.45Å; K487-R489 PolarHBondContact O-N 3.14Å; K487-R489 VanDerWaalsContact O-N 3.15Å; K487-D490 PolarHBondContact N-OD2 3.34Å; K487-D490 WeakPolarHBondContact O-CB 3.41Å; K487-D490 PolarHBondContact O-N 3.15Å; K487-N524 HydrophobicContact CD-CB 4.49Å; K487-N524 WeakPolarHBondContact CE-O 3.12Å; K487-N524 HydrophobicContact CG-CB 3.69Å; K487-D525 VanDerWaalsContact CA-OD2 3.26Å; K487-D525 WeakPolarHBondContact CA-OD2 3.37Å; K487-A528 HydrophobicContact CD-CB 4.45Å; K487-Y536 HydrophobicContact CB-CE1 4.25Å; K487-Y536 HydrophobicContact CD-CD1 4.09Å; K487-Y536 HydrophobicContact CD-CE1 3.19Å; K487-Y536 HydrophobicContact CD-CE2 4.42Å; K487-Y536 WeakPolarHBondContact CD-OH 3.4Å; K487-Y536 WeakPolarHBondContact CE-OH 3.38Å; K487-Y536 HydrophobicContact CG-CE1 4.27Å
488	S	95.2	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-51.5	-39.9	-179.1	57.6	0	0	0	0	113.5	D490 I491 D525 Y541 F544	S488-D490 PolarHBondContact O-N 3.5Å; S488-D490 VanDerWaalsContact O-N 3.09Å; S488-I491 WeakPolarHBondContact O-CB 3.45Å; S488-I491 PolarHBondContact O-N 3.03Å; S488-I491 VanDerWaalsContact O-N 3.14Å; S488-D525 VanDerWaalsContact CB-OD1 3.23Å; S488-D525 WeakPolarHBondContact CB-OD1 3.4Å; S488-D525 VanDerWaalsContact N-CG 3.34Å; S488-D525 PolarHBondContact N-OD1 3.13Å; S488-D525 PolarHBondContact N-OD2 2.97Å; S488-D525 PolarHBondContact OG-OD1 3.4Å; S488-Y541 VanDerWaalsContact CB-CD2 3.47Å; S488-F544 WeakPolarHBondContact O-CB 3.22Å
489	R	91.4	Very high	95.8	Very high	118 Å²	118	28.8 Å²	28.8	45%	0.445	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-57.7	-22	176.3	75	179.3	-172.6	177.4	-2.9	115.1	K487 F544	K487-R489 HydrophobicContact CB-CG 4.45Å; K487-R489 PolarHBondContact O-N 3.14Å; K487-R489 VanDerWaalsContact O-N 3.15Å; R489-F544 VanDerWaalsContact CA-CD2 3.49Å; R489-F544 HydrophobicContact CB-CD1 4.35Å; R489-F544 HydrophobicContact CB-CD2 3.84Å; R489-F544 HydrophobicContact CB-CE1 4.06Å; R489-F544 HydrophobicContact CB-CE2 3.51Å; R489-F544 HydrophobicContact CB-CG 4.26Å; R489-F544 HydrophobicContact CB-CZ 3.63Å
490	D	90.4	Very high	95.8	Very high	54 Å²	54	32.2 Å²	32.2	29%	0.289	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-90.6	-17.9	-176.4	-55.2	-54.4	0	0	0	112	A486 K487 S488 S493 Q494	A486-D490 HydrophobicContact CB-CB 4.14Å; K487-D490 PolarHBondContact N-OD2 3.34Å; K487-D490 WeakPolarHBondContact O-CB 3.41Å; K487-D490 PolarHBondContact O-N 3.15Å; S488-D490 PolarHBondContact O-N 3.5Å; S488-D490 VanDerWaalsContact O-N 3.09Å; D490-S493 PolarHBondContact O-N 2.89Å; D490-Q494 PolarHBondContact O-N 2.82Å
491	I	97.9	Very high	95.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-41.3	-178.2	-60.4	-60.8	0	0	0	113.3	V408 S488 S493 Q494 V495 I519 I521 L545	V408-I491 HydrophobicContact CG2-CG2 4.25Å; S488-I491 WeakPolarHBondContact O-CB 3.45Å; S488-I491 PolarHBondContact O-N 3.03Å; S488-I491 VanDerWaalsContact O-N 3.14Å; I491-S493 PolarHBondContact O-N 3.43Å; I491-Q494 PolarHBondContact O-N 2.68Å; I491-Q494 VanDerWaalsContact O-N 3.12Å; I491-V495 HydrophobicContact CG2-CG2 3.93Å; I491-V495 WeakPolarHBondContact O-CB 3.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.34Å; I491-V495 PolarHBondContact O-N 2.95Å; I491-I519 HydrophobicContact CG2-CG2 4.35Å; I491-I521 HydrophobicContact CD1-CB 3.93Å; I491-I521 HydrophobicContact CD1-CD1 4.04Å; I491-I521 HydrophobicContact CD1-CG1 3.84Å; I491-I521 HydrophobicContact CD1-CG2 4.36Å; I491-I521 HydrophobicContact CG1-CB 4.04Å; I491-I521 HydrophobicContact CG1-CD1 4.5Å; I491-I521 HydrophobicContact CG1-CG1 3.84Å; I491-I521 HydrophobicContact CG1-CG2 3.97Å; I491-L545 HydrophobicContact CB-CD2 4.25Å; I491-L545 HydrophobicContact CG1-CD2 4.21Å; I491-L545 HydrophobicContact CG2-CD2 3.94Å
492	P	95.6	Very high	95.7	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-54.7	-38	176.3	-27.7	34.3	0	0	0	113.4	R496 F544 S548	P492-R496 VanDerWaalsContact O-CG 3.28Å; P492-R496 WeakPolarHBondContact O-CG 3.45Å; P492-R496 PolarHBondContact O-N 3.17Å; P492-R496 VanDerWaalsContact O-N 3.12Å; P492-F544 HydrophobicContact CG-CB 4.38Å; P492-F544 HydrophobicContact CG-CD1 4.46Å; P492-S548 WeakPolarHBondContact CA-OG 3.41Å; P492-S548 WeakPolarHBondContact CD-OG 3.22Å; P492-S548 WeakPolarHBondContact CG-OG 3.18Å
493	S	88.5	Confident	95.7	Very high	76 Å²	76	39.3 Å²	39.3	53%	0.531	21%	0.208	S	C	.	.	H	α-helix	trans	-71.4	-43.8	177.4	-172.9	0	0	0	0	112.3	D490 I491 V495 R496 T497	D490-S493 PolarHBondContact O-N 2.89Å; I491-S493 PolarHBondContact O-N 3.43Å; S493-V495 VanDerWaalsContact C-N 3.32Å; S493-V495 PolarHBondContact O-N 3.34Å; S493-R496 PolarHBondContact O-N 2.73Å; S493-T497 PolarHBondContact O-N 3.01Å; S493-T497 PolarHBondContact O-OG1 3.49Å
494	Q	98.3	Very high	95.7	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-42.8	176.1	-64.8	-174.5	19.7	0	0	111.4	V408 G409 Q481 V483 D490 I491 T497 L498	V408-Q494 HydrophobicContact CB-CB 4.01Å; V408-Q494 HydrophobicContact CG1-CB 3.73Å; G409-Q494 PolarHBondContact O-NE2 2.96Å; G409-Q494 PolarHBondContact O-OE1 3.34Å; G409-Q494 VanDerWaalsContact O-OE1 3.14Å; Q481-Q494 VanDerWaalsContact O-CD 3.26Å; Q481-Q494 WeakPolarHBondContact O-CG 3.32Å; Q481-Q494 PolarHBondContact O-OE1 2.86Å; Q481-Q494 VanDerWaalsContact O-OE1 3.09Å; V483-Q494 HydrophobicContact CG2-CG 4.34Å; D490-Q494 PolarHBondContact O-N 2.82Å; I491-Q494 PolarHBondContact O-N 2.68Å; I491-Q494 VanDerWaalsContact O-N 3.12Å; Q494-T497 PolarHBondContact O-N 2.6Å; Q494-L498 WeakPolarHBondContact O-CB 3.22Å; Q494-L498 PolarHBondContact O-N 3.31Å
495	V	98.4	Very high	95.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-45.4	178.2	164.9	0	0	0	0	111.9	V408 I491 S493 T497 L498 V499 Y551 L552	V408-V495 HydrophobicContact CG1-CG2 4.22Å; V408-V495 HydrophobicContact CG2-CG2 3.94Å; I491-V495 HydrophobicContact CG2-CG2 3.93Å; I491-V495 WeakPolarHBondContact O-CB 3.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.34Å; I491-V495 PolarHBondContact O-N 2.95Å; S493-V495 VanDerWaalsContact C-N 3.32Å; S493-V495 PolarHBondContact O-N 3.34Å; V495-T497 VanDerWaalsContact C-N 3.29Å; V495-T497 PolarHBondContact O-N 3.39Å; V495-L498 WeakPolarHBondContact O-CB 3.4Å; V495-L498 PolarHBondContact O-N 2.92Å; V495-V499 WeakPolarHBondContact O-CG2 3.35Å; V495-V499 PolarHBondContact O-N 3.38Å; V495-Y551 HydrophobicContact CG1-CD1 3.7Å; V495-Y551 HydrophobicContact CG1-CE1 4.28Å; V495-L552 HydrophobicContact CG1-CD1 4.33Å; V495-L552 HydrophobicContact CG1-CD2 3.75Å; V495-L552 HydrophobicContact CG1-CG 3.73Å
496	R	96.8	Very high	96.1	Very high	108 Å²	108	50.5 Å²	50.5	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-40.8	175.5	-72.9	171.5	-175.6	129.4	6.3	112	P492 S493 T500 E547 Y551	P492-R496 VanDerWaalsContact O-CG 3.28Å; P492-R496 WeakPolarHBondContact O-CG 3.45Å; P492-R496 PolarHBondContact O-N 3.17Å; P492-R496 VanDerWaalsContact O-N 3.12Å; S493-R496 PolarHBondContact O-N 2.73Å; R496-T500 WeakPolarHBondContact O-CB 3.43Å; R496-T500 PolarHBondContact O-N 3.04Å; R496-T500 PolarHBondContact O-OG1 3.13Å; R496-E547 IonicContact CZ-OE1 3.6Å; R496-E547 IonicContact NH1-OE1 2.84Å; R496-E547 IonicContact NH2-OE1 2.74Å; R496-E547 PolarHBondContact NH2-OE1 2.9Å; R496-Y551 HydrophobicContact CG-CD1 4.43Å; R496-Y551 HydrophobicContact CG-CE1 3.95Å; R496-Y551 HydrophobicContact CG-CE2 4.31Å
497	T	96.4	Very high	96	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-45.6	176.3	-57.5	0	0	0	0	111	S493 Q494 V495 T500 K501	S493-T497 PolarHBondContact O-N 3.01Å; S493-T497 PolarHBondContact O-OG1 3.49Å; Q494-T497 PolarHBondContact O-N 2.6Å; V495-T497 VanDerWaalsContact C-N 3.29Å; V495-T497 PolarHBondContact O-N 3.39Å; T497-T500 PolarHBondContact O-N 2.91Å; T497-K501 PolarHBondContact O-N 2.95Å
498	L	98.4	Very high	96.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-49.6	177.2	172.6	63.4	0	0	0	111.8	A406 V408 L479 Q481 Q494 V495 T500 K501 M502 I517	A406-L498 HydrophobicContact CB-CD1 3.61Å; A406-L498 HydrophobicContact CB-CD2 3.77Å; A406-L498 HydrophobicContact CB-CG 4.24Å; V408-L498 HydrophobicContact CG1-CB 4.3Å; V408-L498 HydrophobicContact CG1-CD2 3.97Å; L479-L498 HydrophobicContact CB-CD1 3.71Å; L479-L498 HydrophobicContact CD2-CD1 3.89Å; L479-L498 HydrophobicContact CG-CD1 4.25Å; L479-L498 WeakPolarHBondContact O-CD1 3.38Å; Q481-L498 HydrophobicContact CG-CB 4.14Å; Q481-L498 HydrophobicContact CG-CD1 4.32Å; Q494-L498 WeakPolarHBondContact O-CB 3.22Å; Q494-L498 PolarHBondContact O-N 3.31Å; V495-L498 WeakPolarHBondContact O-CB 3.4Å; V495-L498 PolarHBondContact O-N 2.92Å; L498-T500 VanDerWaalsContact C-N 3.31Å; L498-T500 PolarHBondContact O-N 2.89Å; L498-K501 PolarHBondContact O-N 3.46Å; L498-M502 HydrophobicContact CD1-CG 4.36Å; L498-M502 HydrophobicContact CG-CE 4.04Å; L498-M502 WeakPolarHBondContact O-CG 3.42Å; L498-M502 PolarHBondContact O-N 3.46Å; L498-I517 HydrophobicContact CD2-CG2 4.03Å
499	V	98.5	Very high	96.2	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-42.1	178	172.4	0	0	0	0	111.2	V495 K501 M502 K503 F510 Y551 L552 E555 V556	V495-V499 WeakPolarHBondContact O-CG2 3.35Å; V495-V499 PolarHBondContact O-N 3.38Å; V499-K501 PolarHBondContact O-N 2.71Å; V499-M502 HydrophobicContact CG2-CE 4.2Å; V499-M502 PolarHBondContact O-N 3.35Å; V499-K503 HydrophobicContact CG1-CD 4.13Å; V499-K503 HydrophobicContact CG1-CG 4.45Å; V499-K503 WeakPolarHBondContact O-CG 3.45Å; V499-K503 PolarHBondContact O-N 2.93Å; V499-F510 HydrophobicContact CG1-CE2 4.47Å; V499-F510 HydrophobicContact CG1-CZ 4.17Å; V499-Y551 HydrophobicContact CB-CE1 4.07Å; V499-Y551 HydrophobicContact CG1-CE1 4.32Å; V499-Y551 HydrophobicContact CG2-CD1 4.44Å; V499-Y551 HydrophobicContact CG2-CE1 3.85Å; V499-L552 HydrophobicContact CG2-CD2 3.93Å; V499-E555 HydrophobicContact CG1-CB 4.29Å; V499-V556 HydrophobicContact CG1-CG2 4.4Å; V499-V556 HydrophobicContact CG2-CG2 3.55Å
500	T	98.1	Very high	96.5	Very high	71 Å²	71	54.5 Å²	54.5	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-44.4	176.4	-59.1	0	0	0	0	111.6	R496 T497 L498 K503 N504	R496-T500 WeakPolarHBondContact O-CB 3.43Å; R496-T500 PolarHBondContact O-N 3.04Å; R496-T500 PolarHBondContact O-OG1 3.13Å; T497-T500 PolarHBondContact O-N 2.91Å; L498-T500 VanDerWaalsContact C-N 3.31Å; L498-T500 PolarHBondContact O-N 2.89Å; T500-K503 PolarHBondContact O-N 3.2Å; T500-N504 WeakPolarHBondContact O-CB 3.22Å; T500-N504 VanDerWaalsContact O-CG 3.29Å; T500-N504 PolarHBondContact O-N 3.04Å; T500-N504 VanDerWaalsContact O-N 3.16Å; T500-N504 PolarHBondContact O-ND2 3.14Å
501	K	97.9	Very high	96.8	Very high	62 Å²	62	57.9 Å²	57.9	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.9	-76.9	-175.7	167.7	-175.6	0	111.7	Q472 F478 L479 Q481 T497 L498 V499 K503 N504 D505	Q472-K501 PolarHBondContact O-NZ 3.49Å; F478-K501 PolarHBondContact O-NZ 2.97Å; L479-K501 HydrophobicContact CD2-CB 3.86Å; Q481-K501 HydrophobicContact CG-CD 4.37Å; Q481-K501 VanDerWaalsContact OE1-CE 3.3Å; T497-K501 PolarHBondContact O-N 2.95Å; L498-K501 PolarHBondContact O-N 3.46Å; V499-K501 PolarHBondContact O-N 2.71Å; K501-K503 PolarHBondContact O-N 3.35Å; K501-N504 PolarHBondContact O-N 3.26Å; K501-D505 PolarHBondContact O-N 2.97Å; K501-D505 VanDerWaalsContact O-N 3.13Å
502	M	98.3	Very high	96.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-38.1	178	-69.6	-170.2	-65.6	0	0	113	V404 L479 L498 V499 N504 I508 F510 K515 I517 V556	V404-M502 HydrophobicContact CG1-SD 4.43Å; L479-M502 HydrophobicContact CD1-CG 3.72Å; L479-M502 HydrophobicContact CD1-SD 4.23Å; L479-M502 HydrophobicContact CD2-CG 3.81Å; L479-M502 HydrophobicContact CG-CG 4.44Å; L498-M502 HydrophobicContact CD1-CG 4.36Å; L498-M502 HydrophobicContact CG-CE 4.04Å; L498-M502 WeakPolarHBondContact O-CG 3.42Å; L498-M502 PolarHBondContact O-N 3.46Å; V499-M502 HydrophobicContact CG2-CE 4.2Å; V499-M502 PolarHBondContact O-N 3.35Å; M502-N504 VanDerWaalsContact C-N 3.3Å; M502-N504 PolarHBondContact O-N 2.98Å; M502-I508 HydrophobicContact CG-CD1 4.39Å; M502-F510 HydrophobicContact CB-CD2 3.76Å; M502-F510 HydrophobicContact CB-CE2 3.78Å; M502-F510 HydrophobicContact CE-CE2 4.29Å; M502-K515 HydrophobicContact SD-CG 4.31Å; M502-I517 HydrophobicContact CE-CD1 4.28Å; M502-V556 HydrophobicContact CE-CG1 4.36Å; M502-V556 HydrophobicContact CE-CG2 4.36Å
503	K	98.2	Very high	96.9	Very high	93 Å²	93	59.6 Å²	59.6	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-28.4	177.2	-74.6	-179.3	178.6	178.5	0	113	V499 T500 K501 F510 E555	V499-K503 HydrophobicContact CG1-CD 4.13Å; V499-K503 HydrophobicContact CG1-CG 4.45Å; V499-K503 WeakPolarHBondContact O-CG 3.45Å; V499-K503 PolarHBondContact O-N 2.93Å; T500-K503 PolarHBondContact O-N 3.2Å; K501-K503 PolarHBondContact O-N 3.35Å; K503-F510 HydrophobicContact CB-CD2 4.48Å; K503-F510 HydrophobicContact CD-CE1 4.25Å; K503-F510 HydrophobicContact CD-CZ 4.22Å; K503-F510 VanDerWaalsContact CE-CE1 3.44Å; K503-F510 VanDerWaalsContact CE-CZ 3.49Å; K503-F510 HydrophobicContact CG-CD1 3.9Å; K503-F510 HydrophobicContact CG-CD2 3.74Å; K503-F510 HydrophobicContact CG-CE1 3.8Å; K503-F510 HydrophobicContact CG-CE2 3.63Å; K503-F510 HydrophobicContact CG-CG 3.87Å; K503-F510 HydrophobicContact CG-CZ 3.67Å; K503-E555 IonicContact NZ-OE2 2.94Å; K503-E555 PolarHBondContact NZ-OE2 3.17Å
504	N	97	Very high	97.4	Very high	124 Å²	124	56.1 Å²	56.1	66%	0.663	28%	0.28	S	S	*	.	H	α-helix	trans	-95.2	-11.1	-175.2	-69.6	-21.6	0	0	0	114	T500 K501 M502	T500-N504 WeakPolarHBondContact O-CB 3.22Å; T500-N504 VanDerWaalsContact O-CG 3.29Å; T500-N504 PolarHBondContact O-N 3.04Å; T500-N504 VanDerWaalsContact O-N 3.16Å; T500-N504 PolarHBondContact O-ND2 3.14Å; K501-N504 PolarHBondContact O-N 3.26Å; M502-N504 VanDerWaalsContact C-N 3.3Å; M502-N504 PolarHBondContact O-N 2.98Å
505	D	96.7	Very high	97.4	Very high	37 Å²	37	55.6 Å²	55.6	20%	0.198	28%	0.278	C	S	.	.			trans	-83	123.5	179.9	-163.7	-70	0	0	0	111.6	F478 K501 N507 I508	F478-D505 WeakPolarHBondContact CE2-OD2 3.28Å; F478-D505 WeakPolarHBondContact CZ-OD2 3.5Å; K501-D505 PolarHBondContact O-N 2.97Å; K501-D505 VanDerWaalsContact O-N 3.13Å; D505-N507 VanDerWaalsContact C-N 3.25Å; D505-N507 PolarHBondContact O-N 3.4Å; D505-N507 WeakPolarHBondContact OD1-CA 3.42Å; D505-N507 VanDerWaalsContact OD1-CB 3.23Å; D505-N507 WeakPolarHBondContact OD1-CB 3.25Å; D505-N507 PolarHBondContact OD1-N 3.45Å; D505-N507 PolarHBondContact OD1-ND2 2.79Å; D505-N507 VanDerWaalsContact OD1-ND2 3.09Å; D505-I508 HydrophobicContact CB-CB 4.37Å; D505-I508 HydrophobicContact CB-CD1 4.01Å; D505-I508 HydrophobicContact CB-CG1 4.2Å; D505-I508 PolarHBondContact O-N 2.91Å
506	Q	95.1	Very high	97.4	Very high	195 Å²	195	55.6 Å²	55.6	91%	0.911	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.1	-177.5	-64	-176.6	-3	0	0	113.8	I508	Q506-I508 VanDerWaalsContact C-N 3.35Å
507	N	93.8	Very high	97.5	Very high	128 Å²	128	50.5 Å²	50.5	68%	0.684	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.2	178.5	-50.7	-68.8	0	0	0	112.4	D505	D505-N507 VanDerWaalsContact C-N 3.25Å; D505-N507 PolarHBondContact O-N 3.4Å; D505-N507 WeakPolarHBondContact OD1-CA 3.42Å; D505-N507 VanDerWaalsContact OD1-CB 3.23Å; D505-N507 WeakPolarHBondContact OD1-CB 3.25Å; D505-N507 PolarHBondContact OD1-N 3.45Å; D505-N507 PolarHBondContact OD1-ND2 2.79Å; D505-N507 VanDerWaalsContact OD1-ND2 3.09Å
508	I	97.5	Very high	97.6	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	24%	0.242	C	C	.	.	S	Bend	trans	-106.6	116.2	177.6	-63.4	174.8	0	0	0	108.3	V404 T463 F478 L479 M502 D505 Q506 F510	V404-I508 HydrophobicContact CG1-CD1 4.03Å; V404-I508 HydrophobicContact CG2-CD1 4.34Å; V404-I508 HydrophobicContact CG2-CG1 4.04Å; V404-I508 HydrophobicContact CG2-CG2 3.94Å; T463-I508 HydrophobicContact CG2-CG1 4.16Å; F478-I508 HydrophobicContact CZ-CD1 4.06Å; L479-I508 HydrophobicContact CD1-CD1 3.82Å; M502-I508 HydrophobicContact CG-CD1 4.39Å; D505-I508 HydrophobicContact CB-CB 4.37Å; D505-I508 HydrophobicContact CB-CD1 4.01Å; D505-I508 HydrophobicContact CB-CG1 4.2Å; D505-I508 PolarHBondContact O-N 2.91Å; Q506-I508 VanDerWaalsContact C-N 3.35Å; I508-F510 VanDerWaalsContact C-N 3.34Å; I508-F510 PolarHBondContact O-N 3.29Å
509	N	97.5	Very high	97.6	Very high	84 Å²	84	47.8 Å²	47.8	45%	0.449	24%	0.242	S	C	.	.			trans	-77.4	94	164.5	-169.8	-35.1	0	0	0	108.4	E511 S512 D513 K515	N509-E511 PolarHBondContact O-N 3.15Å; N509-E511 VanDerWaalsContact O-N 3.11Å; N509-E511 PolarHBondContact OD1-N 3.23Å; N509-S512 WeakPolarHBondContact CB-OG 3.45Å; N509-S512 PolarHBondContact ND2-OG 3.37Å; N509-S512 PolarHBondContact O-N 2.79Å; N509-S512 PolarHBondContact OD1-N 3.2Å; N509-S512 VanDerWaalsContact OD1-N 3.08Å; N509-S512 PolarHBondContact OD1-OG 3.14Å; N509-D513 WeakPolarHBondContact CB-OD2 3.22Å; N509-D513 PolarHBondContact N-OD2 2.85Å; N509-D513 VanDerWaalsContact O-CB 3.31Å; N509-D513 WeakPolarHBondContact O-CB 3.46Å; N509-D513 PolarHBondContact O-N 3.46Å; N509-K515 PolarHBondContact O-NZ 3.44Å; N509-K515 VanDerWaalsContact O-NZ 3.17Å
510	F	97.8	Very high	97.6	Very high	21 Å²	21	47.9 Å²	47.9	9%	0.092	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.3	-174.9	-170.7	-97.7	0	0	0	113.2	V499 M502 K503 I508 K515 E555 V556 P557	V499-F510 HydrophobicContact CG1-CE2 4.47Å; V499-F510 HydrophobicContact CG1-CZ 4.17Å; M502-F510 HydrophobicContact CB-CD2 3.76Å; M502-F510 HydrophobicContact CB-CE2 3.78Å; M502-F510 HydrophobicContact CE-CE2 4.29Å; K503-F510 HydrophobicContact CB-CD2 4.48Å; K503-F510 HydrophobicContact CD-CE1 4.25Å; K503-F510 HydrophobicContact CD-CZ 4.22Å; K503-F510 VanDerWaalsContact CE-CE1 3.44Å; K503-F510 VanDerWaalsContact CE-CZ 3.49Å; K503-F510 HydrophobicContact CG-CD1 3.9Å; K503-F510 HydrophobicContact CG-CD2 3.74Å; K503-F510 HydrophobicContact CG-CE1 3.8Å; K503-F510 HydrophobicContact CG-CE2 3.63Å; K503-F510 HydrophobicContact CG-CG 3.87Å; K503-F510 HydrophobicContact CG-CZ 3.67Å; I508-F510 VanDerWaalsContact C-N 3.34Å; I508-F510 PolarHBondContact O-N 3.29Å; F510-K515 VanDerWaalsContact O-CE 3.29Å; F510-K515 WeakPolarHBondContact O-CE 3.37Å; F510-K515 PolarHBondContact O-NZ 2.93Å; F510-E555 VanDerWaalsContact CE1-O 3.25Å; F510-E555 WeakPolarHBondContact CE1-O 3.22Å; F510-E555 VanDerWaalsContact CZ-O 3.26Å; F510-E555 WeakPolarHBondContact CZ-O 3.25Å; F510-V556 HydrophobicContact CZ-CB 4.48Å; F510-V556 HydrophobicContact CZ-CG1 4.39Å; F510-V556 HydrophobicContact CZ-CG2 4.24Å; F510-P557 HydrophobicContact CE1-CG 4.41Å; F510-P557 WeakPolarHBondContact O-CG 3.26Å
511	E	97.2	Very high	97.7	Very high	126 Å²	126	44.6 Å²	44.6	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-40.4	179.9	-63	-59.5	142	0	0	113	N509 R558	N509-E511 PolarHBondContact O-N 3.15Å; N509-E511 VanDerWaalsContact O-N 3.11Å; N509-E511 PolarHBondContact OD1-N 3.23Å; E511-R558 WeakPolarHBondContact O-CD 3.36Å
512	S	96.2	Very high	97.6	Very high	31 Å²	31	41.7 Å²	41.7	22%	0.217	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-27	-168.9	74.7	0	0	0	0	115.6	N509 R558	N509-S512 WeakPolarHBondContact CB-OG 3.45Å; N509-S512 PolarHBondContact ND2-OG 3.37Å; N509-S512 PolarHBondContact O-N 2.79Å; N509-S512 PolarHBondContact OD1-N 3.2Å; N509-S512 VanDerWaalsContact OD1-N 3.08Å; N509-S512 PolarHBondContact OD1-OG 3.14Å; S512-R558 WeakPolarHBondContact O-CD 3.43Å; S512-R558 PolarHBondContact O-NH1 2.82Å
513	D	98	Very high	97.4	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	22%	0.215	C	C	.	.	S	Bend	trans	-77.5	142.8	-173.9	-68.3	-19.5	0	0	0	111.5	K403 V404 N509 K515	K403-D513 HydrophobicContact CB-CB 4.08Å; K403-D513 HydrophobicContact CD-CB 3.89Å; K403-D513 VanDerWaalsContact CD-CG 3.44Å; K403-D513 WeakPolarHBondContact CD-OD1 3.32Å; K403-D513 IonicContact NZ-OD1 2.85Å; K403-D513 PolarHBondContact NZ-OD1 3.49Å; V404-D513 HydrophobicContact CG2-CB 4.32Å; N509-D513 WeakPolarHBondContact CB-OD2 3.22Å; N509-D513 PolarHBondContact N-OD2 2.85Å; N509-D513 VanDerWaalsContact O-CB 3.31Å; N509-D513 WeakPolarHBondContact O-CB 3.46Å; N509-D513 PolarHBondContact O-N 3.46Å; D513-K515 PolarHBondContact O-NZ 3.27Å
514	W	98.5	Very high	97.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.7	174.5	-78.2	106.3	0	0	0	111.2	P391 V394 L397 I402 K403 V404 R558 D633	P391-W514 HydrophobicContact CB-CZ2 4.49Å; P391-W514 WeakPolarHBondContact O-CZ2 3.35Å; P391-W514 PolarHBondContact O-NE1 3.49Å; V394-W514 VanDerWaalsContact CA-CH2 3.48Å; V394-W514 HydrophobicContact CB-CH2 3.78Å; V394-W514 HydrophobicContact CB-CZ3 3.73Å; V394-W514 HydrophobicContact CG2-CH2 4.38Å; V394-W514 HydrophobicContact CG2-CZ3 3.83Å; L397-W514 HydrophobicContact CD1-CD2 4.02Å; L397-W514 HydrophobicContact CD1-CE3 3.64Å; L397-W514 HydrophobicContact CD1-CZ3 3.93Å; L397-W514 HydrophobicContact CD2-CB 4.12Å; L397-W514 HydrophobicContact CD2-CD2 3.51Å; L397-W514 HydrophobicContact CD2-CE3 4.04Å; L397-W514 HydrophobicContact CD2-CG 3.51Å; L397-W514 HydrophobicContact CD2-CZ2 4.29Å; L397-W514 HydrophobicContact CG-CD2 4.2Å; L397-W514 HydrophobicContact CG-CE3 4.25Å; L397-W514 HydrophobicContact CG-CZ3 4.48Å; I402-W514 HydrophobicContact CD1-CB 4.27Å; K403-W514 PolarHBondContact N-O 3.43Å; K403-W514 VanDerWaalsContact N-O 3.08Å; V404-W514 PolarHBondContact N-O 3.28Å; V404-W514 VanDerWaalsContact N-O 3.12Å; W514-R558 WeakPolarHBondContact CA-O 3.38Å; W514-R558 HydrophobicContact CD2-CB 3.7Å; W514-R558 HydrophobicContact CD2-CG 4.29Å; W514-R558 VanDerWaalsContact CE3-CA 3.49Å; W514-R558 HydrophobicContact CE3-CB 3.59Å; W514-R558 HydrophobicContact CE3-CG 4.42Å; W514-R558 HydrophobicContact CG-CB 4.38Å; W514-R558 HydrophobicContact CH2-CB 4.17Å; W514-R558 HydrophobicContact CH2-CG 4.23Å; W514-R558 HydrophobicContact CZ2-CB 4.29Å; W514-R558 HydrophobicContact CZ2-CG 4.1Å; W514-R558 HydrophobicContact CZ3-CB 3.84Å; W514-R558 HydrophobicContact CZ3-CG 4.39Å; W514-D633 HydrophobicContact CH2-CB 4.22Å; W514-D633 WeakPolarHBondContact CZ3-O 3.39Å
515	K	98.7	Very high	97.3	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.7	-179.2	-61.4	119.4	179.2	113.3	0	110.9	V404 M502 N509 F510 D513 I517 V556 R558 A559 L560	V404-K515 HydrophobicContact CB-CB 4.46Å; V404-K515 HydrophobicContact CB-CG 3.89Å; V404-K515 HydrophobicContact CG1-CG 4.3Å; V404-K515 HydrophobicContact CG2-CG 4.38Å; V404-K515 CarbonylContact O-C 3.6Å; V404-K515 WeakPolarHBondContact O-CA 3.43Å; M502-K515 HydrophobicContact SD-CG 4.31Å; N509-K515 PolarHBondContact O-NZ 3.44Å; N509-K515 VanDerWaalsContact O-NZ 3.17Å; F510-K515 VanDerWaalsContact O-CE 3.29Å; F510-K515 WeakPolarHBondContact O-CE 3.37Å; F510-K515 PolarHBondContact O-NZ 2.93Å; D513-K515 PolarHBondContact O-NZ 3.27Å; K515-I517 HydrophobicContact CB-CG1 4.36Å; K515-V556 HydrophobicContact CD-CG1 3.82Å; K515-R558 PolarHBondContact N-O 2.83Å; K515-A559 HydrophobicContact CB-CB 4.42Å; K515-A559 WeakPolarHBondContact O-CA 3.21Å; K515-L560 PolarHBondContact O-N 3.19Å
516	L	98.8	Very high	97.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.4	170.4	-177	65	0	0	0	108.8	I402 V404 V405 A406 L451 L455 L560 M683	I402-L516 HydrophobicContact CD1-CB 4.32Å; I402-L516 HydrophobicContact CG2-CB 3.81Å; V404-L516 PolarHBondContact O-N 2.73Å; V405-L516 CarbonylContact C-O 3.04Å; V405-L516 WeakPolarHBondContact CA-O 3.41Å; V405-L516 HydrophobicContact CG1-CB 4.41Å; A406-L516 PolarHBondContact N-O 3.1Å; L451-L516 HydrophobicContact CD2-CD2 3.88Å; L455-L516 HydrophobicContact CD1-CD2 3.97Å; L516-L560 WeakPolarHBondContact CA-O 3.26Å; L516-L560 HydrophobicContact CD1-CB 4.14Å; L516-L560 HydrophobicContact CD1-CD2 3.52Å; L516-L560 HydrophobicContact CD1-CG 4.34Å; L516-M683 HydrophobicContact CD1-CE 3.75Å; L516-M683 HydrophobicContact CD2-CE 3.7Å; L516-M683 HydrophobicContact CD2-SD 4.25Å; L516-M683 HydrophobicContact CG-CE 4.4Å
517	I	98.9	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.7	-174.2	-54.2	177.9	0	0	0	108.9	A406 L498 M502 K515 L552 V556 A559 L560 V561 N562	A406-I517 HydrophobicContact CB-CG1 4.29Å; A406-I517 CarbonylContact O-C 3.54Å; A406-I517 WeakPolarHBondContact O-CA 3.4Å; L498-I517 HydrophobicContact CD2-CG2 4.03Å; M502-I517 HydrophobicContact CE-CD1 4.28Å; K515-I517 HydrophobicContact CB-CG1 4.36Å; I517-L552 HydrophobicContact CD1-CD2 3.91Å; I517-V556 HydrophobicContact CD1-CG1 4.32Å; I517-A559 HydrophobicContact CD1-CB 4.46Å; I517-L560 PolarHBondContact N-O 3.33Å; I517-V561 HydrophobicContact CB-CG2 4.34Å; I517-V561 CarbonylContact O-C 3.48Å; I517-V561 WeakPolarHBondContact O-CA 3.24Å; I517-N562 PolarHBondContact O-N 3.38Å
518	T	98.9	Very high	97	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.2	175.9	-55.2	0	0	0	0	110.9	A406 A407 V408 C438 N562 V564 L679	A406-T518 PolarHBondContact O-N 3.27Å; A407-T518 VanDerWaalsContact CA-O 3.25Å; A407-T518 WeakPolarHBondContact CA-O 3.33Å; V408-T518 PolarHBondContact N-O 3.23Å; C438-T518 HydrophobicContact CB-CG2 3.92Å; T518-N562 WeakPolarHBondContact CA-O 3.37Å; T518-N562 HydrophobicContact CG2-CB 4.33Å; T518-V564 HydrophobicContact CG2-CG2 3.92Å; T518-L679 HydrophobicContact CG2-CD2 4.44Å
519	I	98.8	Very high	96.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	173.3	-53.4	-173.4	0	0	0	108.2	V408 I491 L545 L549 L552 V561 N562 L563 V564	V408-I519 HydrophobicContact CG2-CB 4.18Å; V408-I519 HydrophobicContact CG2-CD1 4.31Å; V408-I519 HydrophobicContact CG2-CG1 3.7Å; V408-I519 HydrophobicContact CG2-CG2 4.09Å; I491-I519 HydrophobicContact CG2-CG2 4.35Å; I519-L545 HydrophobicContact CG2-CD2 3.97Å; I519-L549 HydrophobicContact CD1-CD2 3.82Å; I519-L552 HydrophobicContact CD1-CD1 3.97Å; I519-V561 HydrophobicContact CD1-CG1 4Å; I519-V561 HydrophobicContact CG1-CG1 4.17Å; I519-N562 PolarHBondContact N-O 3.22Å; I519-L563 HydrophobicContact CB-CD1 4.08Å; I519-L563 HydrophobicContact CG2-CD1 4.11Å; I519-V564 PolarHBondContact O-N 3.29Å
520	F	98.6	Very high	95.2	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.013	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	114.5	175	179.7	-122.9	0	0	0	110.9	V408 G409 L412 W437 V564 E565 L567 L642 M675	V408-F520 PolarHBondContact O-N 3Å; G409-F520 WeakPolarHBondContact CA-O 3.36Å; L412-F520 HydrophobicContact CB-CD1 4.46Å; L412-F520 HydrophobicContact CB-CE1 4.03Å; L412-F520 HydrophobicContact CD1-CE1 3.79Å; L412-F520 HydrophobicContact CD1-CZ 4.34Å; W437-F520 HydrophobicContact CZ2-CB 4.14Å; W437-F520 AromaticContact CZ2-CD1 3.92Å; W437-F520 HydrophobicContact CZ2-CD1 3.92Å; W437-F520 HydrophobicContact CZ2-CG 4.03Å; F520-V564 HydrophobicContact CB-CB 4.18Å; F520-V564 HydrophobicContact CD2-CB 3.8Å; F520-V564 HydrophobicContact CD2-CG1 3.6Å; F520-V564 HydrophobicContact CE2-CG1 4.03Å; F520-V564 HydrophobicContact CG-CB 4.35Å; F520-V564 HydrophobicContact CG-CG1 4.37Å; F520-E565 WeakPolarHBondContact CE2-O 3.45Å; F520-L567 HydrophobicContact CZ-CD2 4.04Å; F520-L642 HydrophobicContact CD2-CD1 4.43Å; F520-L642 HydrophobicContact CE2-CD1 3.57Å; F520-L642 HydrophobicContact CZ-CD1 3.68Å; F520-M675 HydrophobicContact CE1-CE 4.24Å; F520-M675 HydrophobicContact CZ-CE 4.5Å
521	I	98.4	Very high	94.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.119	C	C	.	.			trans	-154.1	156.5	-175.5	-163.9	60.3	0	0	0	110.6	D410 A486 I491 Y541 L545	D410-I521 HydrophobicContact CB-CD1 3.76Å; A486-I521 HydrophobicContact CB-CD1 4.42Å; A486-I521 WeakPolarHBondContact O-CD1 3.29Å; I491-I521 HydrophobicContact CD1-CB 3.93Å; I491-I521 HydrophobicContact CD1-CD1 4.04Å; I491-I521 HydrophobicContact CD1-CG1 3.84Å; I491-I521 HydrophobicContact CD1-CG2 4.36Å; I491-I521 HydrophobicContact CG1-CB 4.04Å; I491-I521 HydrophobicContact CG1-CD1 4.5Å; I491-I521 HydrophobicContact CG1-CG1 3.84Å; I491-I521 HydrophobicContact CG1-CG2 3.97Å; I521-Y541 HydrophobicContact CG2-CE2 4.07Å; I521-Y541 PolarHBondContact O-OH 2.86Å; I521-L545 HydrophobicContact CG2-CD1 3.97Å; I521-L545 HydrophobicContact CG2-CD2 3.84Å; I521-L545 HydrophobicContact CG2-CG 4.28Å
522	G	96.1	Very high	92.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.			trans	133.2	-16.5	168.3	0	0	0	0	0	114.5	N524 D525 L526	G522-N524 PolarHBondContact O-N 2.84Å; G522-D525 WeakPolarHBondContact CA-OD2 3.42Å; G522-D525 PolarHBondContact O-N 3.33Å; G522-L526 WeakPolarHBondContact O-CD1 3.22Å; G522-L526 VanDerWaalsContact O-CG 3.29Å; G522-L526 WeakPolarHBondContact O-CG 3.27Å; G522-L526 PolarHBondContact O-N 3.21Å; G522-L526 VanDerWaalsContact O-N 3.1Å
523	G	95.6	Very high	91.5	Very high	11 Å²	11	18.8 Å²	18.8	11%	0.113	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-49.4	175.8	0	0	0	0	0	111.6	D525 L526 C527	G523-D525 VanDerWaalsContact C-N 3.33Å; G523-D525 PolarHBondContact O-N 3.28Å; G523-L526 PolarHBondContact O-N 2.95Å; G523-C527 WeakPolarHBondContact O-CB 3.41Å; G523-C527 PolarHBondContact O-N 3.29Å; G523-C527 PolarHBondContact O-SG 3.08Å
524	N	96.1	Very high	89.4	Confident	20 Å²	20	19.2 Å²	19.2	11%	0.107	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-29.6	178.6	-67	-50	0	0	0	113.7	D410 G485 A486 K487 G522 A528	D410-N524 WeakPolarHBondContact CB-ND2 3.36Å; G485-N524 WeakPolarHBondContact CA-ND2 3.43Å; A486-N524 VanDerWaalsContact O-CB 3.31Å; A486-N524 WeakPolarHBondContact O-CB 3.31Å; A486-N524 PolarHBondContact O-ND2 3.42Å; K487-N524 HydrophobicContact CD-CB 4.49Å; K487-N524 WeakPolarHBondContact CE-O 3.12Å; K487-N524 HydrophobicContact CG-CB 3.69Å; G522-N524 PolarHBondContact O-N 2.84Å; N524-A528 WeakPolarHBondContact O-CB 2.98Å; N524-A528 PolarHBondContact O-N 2.98Å; N524-A528 VanDerWaalsContact O-N 3.15Å
525	D	96.4	Very high	87.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-44	173.9	-60.4	-109.1	0	0	0	110.4	K487 S488 G522 G523 A528 Y529 Y536 Y541 Y615	K487-D525 VanDerWaalsContact CA-OD2 3.26Å; K487-D525 WeakPolarHBondContact CA-OD2 3.37Å; S488-D525 VanDerWaalsContact CB-OD1 3.23Å; S488-D525 WeakPolarHBondContact CB-OD1 3.4Å; S488-D525 VanDerWaalsContact N-CG 3.34Å; S488-D525 PolarHBondContact N-OD1 3.13Å; S488-D525 PolarHBondContact N-OD2 2.97Å; S488-D525 PolarHBondContact OG-OD1 3.4Å; G522-D525 WeakPolarHBondContact CA-OD2 3.42Å; G522-D525 PolarHBondContact O-N 3.33Å; G523-D525 VanDerWaalsContact C-N 3.33Å; G523-D525 PolarHBondContact O-N 3.28Å; D525-A528 CarbonylContact O-C 3.57Å; D525-A528 PolarHBondContact O-N 3.26Å; D525-Y529 PolarHBondContact O-N 3.15Å; D525-Y536 HydrophobicContact CB-CD1 4.13Å; D525-Y536 HydrophobicContact CB-CG 4.41Å; D525-Y541 HydrophobicContact CB-CD2 4.48Å; D525-Y615 HydrophobicContact CB-CE2 3.86Å
526	L	96.8	Very high	87	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-41.7	176.1	-64.8	159.5	0	0	0	112.2	G522 G523 A528 Y529 I569 C594 L608 V611 N612 Y615	G522-L526 WeakPolarHBondContact O-CD1 3.22Å; G522-L526 VanDerWaalsContact O-CG 3.29Å; G522-L526 WeakPolarHBondContact O-CG 3.27Å; G522-L526 PolarHBondContact O-N 3.21Å; G522-L526 VanDerWaalsContact O-N 3.1Å; G523-L526 PolarHBondContact O-N 2.95Å; L526-A528 PolarHBondContact O-N 3.31Å; L526-Y529 WeakPolarHBondContact O-CB 3.36Å; L526-Y529 PolarHBondContact O-N 2.85Å; L526-I569 HydrophobicContact CB-CD1 4.48Å; L526-I569 HydrophobicContact CB-CG2 4.38Å; L526-I569 HydrophobicContact CD1-CB 4.43Å; L526-I569 HydrophobicContact CD1-CG2 4.13Å; L526-C594 WeakPolarHBondContact O-CB 3.14Å; L526-L608 HydrophobicContact CB-CD1 4.07Å; L526-L608 HydrophobicContact CD2-CD1 4.11Å; L526-V611 HydrophobicContact CD2-CG1 4.05Å; L526-N612 HydrophobicContact CD1-CB 4.3Å; L526-N612 WeakPolarHBondContact CD1-ND2 3.04Å; L526-N612 HydrophobicContact CD2-CB 3.77Å; L526-Y615 HydrophobicContact CD2-CD2 4.22Å; L526-Y615 HydrophobicContact CD2-CE2 4Å; L526-Y615 HydrophobicContact CG-CD2 4.32Å; L526-Y615 HydrophobicContact CG-CE2 4Å
527	C	94.4	Very high	86.1	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-24.7	174.9	-72.8	0	0	0	0	113.6	G523 C592 C594	G523-C527 WeakPolarHBondContact O-CB 3.41Å; G523-C527 PolarHBondContact O-N 3.29Å; G523-C527 PolarHBondContact O-SG 3.08Å; C527-C592 WeakPolarHBondContact CA-SG 3.33Å; C527-C592 HydrophobicContact CB-CB 3.73Å; C527-C592 WeakPolarHBondContact CB-SG 3.46Å; C527-C592 WeakPolarHBondContact SG-CB 3.48Å; C527-C592 CovalentContact SG-SG 2.03Å; C527-C592 PolarHBondContact SG-SG 3.32Å; C527-C594 VanDerWaalsContact C-SG 3.59Å; C527-C594 PolarHBondContact O-SG 3.1Å
528	A	87.1	Confident	85	Confident	4 Å²	4	23.7 Å²	23.7	3%	0.033	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	1.4	-179.3	0	0	0	0	0	113.2	K487 N524 D525 L526 C530 E531 N532 Y536	K487-A528 HydrophobicContact CD-CB 4.45Å; N524-A528 WeakPolarHBondContact O-CB 2.98Å; N524-A528 PolarHBondContact O-N 2.98Å; N524-A528 VanDerWaalsContact O-N 3.15Å; D525-A528 CarbonylContact O-C 3.57Å; D525-A528 PolarHBondContact O-N 3.26Å; L526-A528 PolarHBondContact O-N 3.31Å; A528-C530 VanDerWaalsContact C-N 3.32Å; A528-C530 PolarHBondContact O-N 3.33Å; A528-E531 WeakPolarHBondContact O-CB 3.25Å; A528-E531 PolarHBondContact O-N 3.02Å; A528-N532 PolarHBondContact O-N 3.31Å; A528-N532 VanDerWaalsContact O-N 3.13Å; A528-Y536 HydrophobicContact CB-CD2 3.8Å; A528-Y536 HydrophobicContact CB-CE2 3.29Å; A528-Y536 VanDerWaalsContact O-CD2 3.22Å; A528-Y536 WeakPolarHBondContact O-CD2 3.47Å; A528-Y536 WeakPolarHBondContact O-CE2 3.31Å
529	Y	81.8	Confident	84	Confident	34 Å²	34	28.5 Å²	28.5	13%	0.133	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.7	-174.5	178.8	-93.7	0	0	0	112.7	D525 L526 E531 N532 S533 Y536 I607 V611	D525-Y529 PolarHBondContact O-N 3.15Å; L526-Y529 WeakPolarHBondContact O-CB 3.36Å; L526-Y529 PolarHBondContact O-N 2.85Å; Y529-E531 PolarHBondContact O-N 2.77Å; Y529-N532 CarbonylContact O-C 3.58Å; Y529-N532 VanDerWaalsContact O-C 3.24Å; Y529-N532 PolarHBondContact O-N 3.26Å; Y529-S533 WeakPolarHBondContact CE2-O 3.41Å; Y529-S533 WeakPolarHBondContact O-CA 3.06Å; Y529-S533 WeakPolarHBondContact O-CB 3.38Å; Y529-S533 PolarHBondContact O-N 2.96Å; Y529-Y536 WeakPolarHBondContact CD2-O 3.47Å; Y529-I607 HydrophobicContact CD1-CG2 4.4Å; Y529-I607 HydrophobicContact CE1-CG2 3.53Å; Y529-V611 HydrophobicContact CD1-CG2 4.25Å; Y529-V611 HydrophobicContact CD2-CB 4.42Å; Y529-V611 HydrophobicContact CD2-CG1 3.72Å; Y529-V611 HydrophobicContact CD2-CG2 4.07Å; Y529-V611 HydrophobicContact CE1-CG2 3.73Å; Y529-V611 HydrophobicContact CE2-CB 4.27Å; Y529-V611 HydrophobicContact CE2-CG1 3.8Å; Y529-V611 HydrophobicContact CE2-CG2 3.5Å; Y529-V611 HydrophobicContact CG-CG1 4.3Å; Y529-V611 HydrophobicContact CG-CG2 4.4Å; Y529-V611 WeakPolarHBondContact OH-CG2 3.42Å
530	C	77.1	Confident	82.7	Confident	79 Å²	79	29.6 Å²	29.6	53%	0.534	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.5	177.3	66.2	0	0	0	0	113.7	A528 C594	A528-C530 VanDerWaalsContact C-N 3.32Å; A528-C530 PolarHBondContact O-N 3.33Å; C530-C594 VanDerWaalsContact CA-SG 3.52Å; C530-C594 HydrophobicContact CB-CB 3.77Å; C530-C594 WeakPolarHBondContact CB-SG 3.48Å; C530-C594 PolarHBondContact N-SG 3.46Å; C530-C594 WeakPolarHBondContact SG-CA 3.47Å; C530-C594 WeakPolarHBondContact SG-CB 3.45Å; C530-C594 CovalentContact SG-SG 2.03Å; C530-C594 PolarHBondContact SG-SG 3.1Å
531	E	74.8	Confident	82.2	Confident	133 Å²	133	29.5 Å²	29.5	62%	0.621	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-39.1	173.2	-54.2	179.6	166.3	0	0	111.2	A528 Y529	A528-E531 WeakPolarHBondContact O-CB 3.25Å; A528-E531 PolarHBondContact O-N 3.02Å; Y529-E531 PolarHBondContact O-N 2.77Å
532	N	69.4	Low	81.7	Confident	57 Å²	57	30.3 Å²	30.3	31%	0.305	16%	0.164	S	C	.	.			trans	-151.7	80.6	180	-164.9	-34.4	0	0	0	111.9	A528 Y529 L534 L535 Y536	A528-N532 PolarHBondContact O-N 3.31Å; A528-N532 VanDerWaalsContact O-N 3.13Å; Y529-N532 CarbonylContact O-C 3.58Å; Y529-N532 VanDerWaalsContact O-C 3.24Å; Y529-N532 PolarHBondContact O-N 3.26Å; N532-L534 PolarHBondContact O-N 3.31Å; N532-L534 VanDerWaalsContact O-N 3.15Å; N532-L534 WeakPolarHBondContact OD1-CB 3.31Å; N532-L534 PolarHBondContact OD1-N 2.73Å; N532-L535 HydrophobicContact CB-CB 4.18Å; N532-L535 PolarHBondContact O-N 2.75Å; N532-L535 WeakPolarHBondContact OD1-CB 3.29Å; N532-L535 PolarHBondContact OD1-N 3.29Å; N532-Y536 HydrophobicContact CB-CD2 4.25Å; N532-Y536 HydrophobicContact CB-CE2 4Å; N532-Y536 WeakPolarHBondContact O-CD2 3.34Å; N532-Y536 PolarHBondContact O-N 3.31Å; N532-Y536 VanDerWaalsContact O-N 3.17Å
533	S	67.9	Low	80.9	Confident	27 Å²	27	31.9 Å²	31.9	19%	0.189	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.7	-176.1	43.7	0	0	0	0	113.8	Y529 Y536 S537 Y1046	Y529-S533 WeakPolarHBondContact CE2-O 3.41Å; Y529-S533 WeakPolarHBondContact O-CA 3.06Å; Y529-S533 WeakPolarHBondContact O-CB 3.38Å; Y529-S533 PolarHBondContact O-N 2.96Å; S533-Y536 CarbonylContact O-C 3.55Å; S533-S537 WeakPolarHBondContact O-CA 3.38Å; S533-S537 WeakPolarHBondContact O-CB 3.32Å; S533-S537 PolarHBondContact O-N 3.04Å; S533-S537 VanDerWaalsContact O-N 3.09Å; S533-Y1046 WeakPolarHBondContact OG-CE1 3.45Å
534	L	54.7	Low	80.6	Confident	22 Å²	22	33 Å²	33	12%	0.115	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-55.5	170.9	-85.6	-177.3	0	0	0	112.9	N532 Y536 S537 N540 Y997 F999 Y1046	N532-L534 PolarHBondContact O-N 3.31Å; N532-L534 VanDerWaalsContact O-N 3.15Å; N532-L534 WeakPolarHBondContact OD1-CB 3.31Å; N532-L534 PolarHBondContact OD1-N 2.73Å; L534-Y536 PolarHBondContact O-N 3.26Å; L534-S537 WeakPolarHBondContact O-CB 3.37Å; L534-S537 PolarHBondContact O-N 2.69Å; L534-N540 PolarHBondContact O-ND2 3.37Å; L534-Y997 WeakPolarHBondContact CD1-O 3.46Å; L534-F999 HydrophobicContact CD1-CB 4.43Å; L534-Y1046 HydrophobicContact CD1-CD2 4.06Å; L534-Y1046 HydrophobicContact CD1-CG 3.76Å; L534-Y1046 HydrophobicContact CD2-CD2 3.12Å; L534-Y1046 HydrophobicContact CD2-CE2 3.52Å; L534-Y1046 HydrophobicContact CD2-CG 3.71Å; L534-Y1046 HydrophobicContact CG-CD1 3.98Å; L534-Y1046 HydrophobicContact CG-CD2 3.41Å; L534-Y1046 VanDerWaalsContact CG-CD2 3.41Å; L534-Y1046 HydrophobicContact CG-CE2 3.98Å; L534-Y1046 HydrophobicContact CG-CG 3.38Å
535	L	65.4	Low	80.6	Confident	41 Å²	41	32.1 Å²	32.1	22%	0.215	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.4	-176.2	179.6	61.2	0	0	0	110.5	N532 N540	N532-L535 HydrophobicContact CB-CB 4.18Å; N532-L535 PolarHBondContact O-N 2.75Å; N532-L535 WeakPolarHBondContact OD1-CB 3.29Å; N532-L535 PolarHBondContact OD1-N 3.29Å; L535-N540 WeakPolarHBondContact O-CB 3.21Å
536	Y	80.8	Confident	80.6	Confident	15 Å²	15	35.1 Å²	35.1	6%	0.059	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	28.3	177.7	-45.1	-54.4	0	0	0	111.6	K487 D525 A528 Y529 N532 S533 L534 Y615	K487-Y536 HydrophobicContact CB-CE1 4.25Å; K487-Y536 HydrophobicContact CD-CD1 4.09Å; K487-Y536 HydrophobicContact CD-CE1 3.19Å; K487-Y536 HydrophobicContact CD-CE2 4.42Å; K487-Y536 WeakPolarHBondContact CD-OH 3.4Å; K487-Y536 WeakPolarHBondContact CE-OH 3.38Å; K487-Y536 HydrophobicContact CG-CE1 4.27Å; D525-Y536 HydrophobicContact CB-CD1 4.13Å; D525-Y536 HydrophobicContact CB-CG 4.41Å; A528-Y536 HydrophobicContact CB-CD2 3.8Å; A528-Y536 HydrophobicContact CB-CE2 3.29Å; A528-Y536 VanDerWaalsContact O-CD2 3.22Å; A528-Y536 WeakPolarHBondContact O-CD2 3.47Å; A528-Y536 WeakPolarHBondContact O-CE2 3.31Å; Y529-Y536 WeakPolarHBondContact CD2-O 3.47Å; N532-Y536 HydrophobicContact CB-CD2 4.25Å; N532-Y536 HydrophobicContact CB-CE2 4Å; N532-Y536 WeakPolarHBondContact O-CD2 3.34Å; N532-Y536 PolarHBondContact O-N 3.31Å; N532-Y536 VanDerWaalsContact O-N 3.17Å; S533-Y536 CarbonylContact O-C 3.55Å; L534-Y536 PolarHBondContact O-N 3.26Å; Y536-Y615 VanDerWaalsContact C-OH 3.3Å; Y536-Y615 PolarHBondContact O-OH 3Å
537	S	80.1	Confident	80.2	Confident	18 Å²	18	37.4 Å²	37.4	13%	0.126	20%	0.202	C	C	.	.			trans	-66.8	162.6	172.1	91.6	0	0	0	0	111	S533 L534 E539 N540 Y541	S533-S537 WeakPolarHBondContact O-CA 3.38Å; S533-S537 WeakPolarHBondContact O-CB 3.32Å; S533-S537 PolarHBondContact O-N 3.04Å; S533-S537 VanDerWaalsContact O-N 3.09Å; L534-S537 WeakPolarHBondContact O-CB 3.37Å; L534-S537 PolarHBondContact O-N 2.69Å; S537-E539 VanDerWaalsContact C-N 3.27Å; S537-E539 WeakPolarHBondContact CB-OE2 3.36Å; S537-E539 PolarHBondContact O-N 2.81Å; S537-E539 PolarHBondContact OG-N 2.61Å; S537-E539 PolarHBondContact OG-OE2 3.38Å; S537-N540 PolarHBondContact O-N 2.89Å; S537-N540 PolarHBondContact OG-N 3.19Å; S537-Y541 WeakPolarHBondContact O-CB 3.36Å; S537-Y541 PolarHBondContact O-N 3.15Å
538	V	76.6	Confident	80.3	Confident	25 Å²	25	37.3 Å²	37.3	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-42.2	177.9	178.5	0	0	0	0	111.1	V542 G614 Y615 S618	V538-V542 HydrophobicContact CG1-CG2 4.48Å; V538-V542 WeakPolarHBondContact O-CB 3.22Å; V538-V542 WeakPolarHBondContact O-CG2 3.33Å; V538-V542 PolarHBondContact O-N 3.37Å; V538-G614 VanDerWaalsContact CG1-O 3.3Å; V538-G614 WeakPolarHBondContact CG1-O 3.07Å; V538-Y615 HydrophobicContact CB-CD1 4.23Å; V538-Y615 HydrophobicContact CB-CE1 4.46Å; V538-Y615 HydrophobicContact CG1-CD1 4.4Å; V538-Y615 HydrophobicContact CG2-CD1 3.95Å; V538-Y615 HydrophobicContact CG2-CE1 4.19Å; V538-S618 WeakPolarHBondContact CG1-OG 3.04Å
539	E	76.6	Confident	80.8	Confident	102 Å²	102	37.1 Å²	37.1	48%	0.477	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-44	-178.7	-58.7	73.9	-161.5	0	0	111.7	S537 G543	S537-E539 VanDerWaalsContact C-N 3.27Å; S537-E539 WeakPolarHBondContact CB-OE2 3.36Å; S537-E539 PolarHBondContact O-N 2.81Å; S537-E539 PolarHBondContact OG-N 2.61Å; S537-E539 PolarHBondContact OG-OE2 3.38Å; E539-G543 WeakPolarHBondContact O-CA 3.07Å; E539-G543 PolarHBondContact O-N 2.81Å
540	N	71	Confident	81.5	Confident	23 Å²	23	36.8 Å²	36.8	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-45.6	178.8	-83.7	-22.9	0	0	0	111.4	L534 L535 S537 V542 G543 F544	L534-N540 PolarHBondContact O-ND2 3.37Å; L535-N540 WeakPolarHBondContact O-CB 3.21Å; S537-N540 PolarHBondContact O-N 2.89Å; S537-N540 PolarHBondContact OG-N 3.19Å; N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 2.71Å; N540-G543 PolarHBondContact O-N 2.85Å; N540-G543 VanDerWaalsContact O-N 3.09Å; N540-F544 HydrophobicContact CB-CE2 4.1Å; N540-F544 WeakPolarHBondContact O-CD2 3.4Å; N540-F544 PolarHBondContact O-N 2.83Å
541	Y	88.9	Confident	82.4	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-53.3	-50.1	175.5	173.8	-96.4	0	0	0	112	S488 I521 D525 S537 L545 P566 Y615 L619	S488-Y541 VanDerWaalsContact CB-CD2 3.47Å; I521-Y541 HydrophobicContact CG2-CE2 4.07Å; I521-Y541 PolarHBondContact O-OH 2.86Å; D525-Y541 HydrophobicContact CB-CD2 4.48Å; S537-Y541 WeakPolarHBondContact O-CB 3.36Å; S537-Y541 PolarHBondContact O-N 3.15Å; Y541-L545 HydrophobicContact CE1-CD1 4Å; Y541-L545 HydrophobicContact CE2-CD1 4.37Å; Y541-L545 PolarHBondContact O-N 2.72Å; Y541-P566 WeakPolarHBondContact OH-CD 3.46Å; Y541-Y615 VanDerWaalsContact CB-CE1 3.47Å; Y541-Y615 AromaticContact CD1-CD1 3.66Å; Y541-Y615 HydrophobicContact CD1-CD1 3.66Å; Y541-Y615 AromaticContact CD1-CD2 3.77Å; Y541-Y615 HydrophobicContact CD1-CD2 3.77Å; Y541-Y615 HydrophobicContact CD1-CE1 4.16Å; Y541-Y615 HydrophobicContact CD1-CE2 4.23Å; Y541-Y615 AromaticContact CD1-CG 3.45Å; Y541-Y615 HydrophobicContact CD1-CG 3.45Å; Y541-Y615 VanDerWaalsContact CD1-CG 3.45Å; Y541-Y615 AromaticContact CD2-CD2 3.69Å; Y541-Y615 HydrophobicContact CD2-CD2 3.69Å; Y541-Y615 HydrophobicContact CD2-CE1 4.37Å; Y541-Y615 AromaticContact CD2-CE2 3.48Å; Y541-Y615 HydrophobicContact CD2-CE2 3.48Å; Y541-Y615 VanDerWaalsContact CD2-CE2 3.48Å; Y541-Y615 HydrophobicContact CD2-CG 4.21Å; Y541-Y615 AromaticContact CD2-CZ 3.84Å; Y541-Y615 HydrophobicContact CE1-CD1 4.38Å; Y541-Y615 AromaticContact CE1-CD2 3.83Å; Y541-Y615 HydrophobicContact CE1-CD2 3.83Å; Y541-Y615 AromaticContact CE1-CG 3.7Å; Y541-Y615 HydrophobicContact CE1-CG 3.7Å; Y541-Y615 AromaticContact CE2-CD2 3.79Å; Y541-Y615 HydrophobicContact CE2-CD2 3.79Å; Y541-Y615 AromaticContact CE2-CE2 3.92Å; Y541-Y615 HydrophobicContact CE2-CE2 3.92Å; Y541-Y615 HydrophobicContact CE2-CG 4.46Å; Y541-Y615 AromaticContact CG-CD1 3.76Å; Y541-Y615 HydrophobicContact CG-CD1 3.76Å; Y541-Y615 AromaticContact CG-CD2 3.71Å; Y541-Y615 HydrophobicContact CG-CD2 3.71Å; Y541-Y615 AromaticContact CG-CE1 3.76Å; Y541-Y615 HydrophobicContact CG-CE1 3.76Å; Y541-Y615 AromaticContact CG-CE2 3.68Å; Y541-Y615 HydrophobicContact CG-CE2 3.68Å; Y541-Y615 AromaticContact CG-CG 3.73Å; Y541-Y615 HydrophobicContact CG-CG 3.73Å; Y541-Y615 AromaticContact CG-CZ 3.7Å; Y541-Y615 AromaticContact CZ-CD2 3.86Å; Y541-L619 HydrophobicContact CE1-CD1 3.58Å; Y541-L619 HydrophobicContact CE1-CD2 4.14Å; Y541-L619 HydrophobicContact CE1-CG 3.78Å
542	V	88.4	Confident	83.6	Confident	20 Å²	20	29.6 Å²	29.6	12%	0.121	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-35.9	177.3	177.7	0	0	0	0	111.4	V538 N540 L545 K546 L619 L622	V538-V542 HydrophobicContact CG1-CG2 4.48Å; V538-V542 WeakPolarHBondContact O-CB 3.22Å; V538-V542 WeakPolarHBondContact O-CG2 3.33Å; V538-V542 PolarHBondContact O-N 3.37Å; N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 2.71Å; V542-L545 PolarHBondContact O-N 3.04Å; V542-K546 VanDerWaalsContact O-CB 3.26Å; V542-K546 WeakPolarHBondContact O-CB 3.2Å; V542-K546 PolarHBondContact O-N 3.17Å; V542-L619 HydrophobicContact CG2-CD2 4.25Å; V542-L622 HydrophobicContact CG1-CB 4.39Å; V542-L622 HydrophobicContact CG1-CD2 4.06Å
543	G	79.8	Confident	84.9	Confident	34 Å²	34	28.2 Å²	28.2	35%	0.351	15%	0.148	S	C	.	.	H	α-helix	trans	-59.3	-47.7	178.5	0	0	0	0	0	112.9	E539 N540 K546 E547	E539-G543 WeakPolarHBondContact O-CA 3.07Å; E539-G543 PolarHBondContact O-N 2.81Å; N540-G543 PolarHBondContact O-N 2.85Å; N540-G543 VanDerWaalsContact O-N 3.09Å; G543-K546 PolarHBondContact O-N 2.95Å; G543-E547 PolarHBondContact O-N 3.36Å
544	F	88.3	Confident	86.2	Confident	35 Å²	35	34.8 Å²	34.8	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-37.2	177.8	-64.3	-56.3	0	0	0	112.8	S488 R489 P492 N540 S548	S488-F544 WeakPolarHBondContact O-CB 3.22Å; R489-F544 VanDerWaalsContact CA-CD2 3.49Å; R489-F544 HydrophobicContact CB-CD1 4.35Å; R489-F544 HydrophobicContact CB-CD2 3.84Å; R489-F544 HydrophobicContact CB-CE1 4.06Å; R489-F544 HydrophobicContact CB-CE2 3.51Å; R489-F544 HydrophobicContact CB-CG 4.26Å; R489-F544 HydrophobicContact CB-CZ 3.63Å; P492-F544 HydrophobicContact CG-CB 4.38Å; P492-F544 HydrophobicContact CG-CD1 4.46Å; N540-F544 HydrophobicContact CB-CE2 4.1Å; N540-F544 WeakPolarHBondContact O-CD2 3.4Å; N540-F544 PolarHBondContact O-N 2.83Å; F544-S548 WeakPolarHBondContact O-CB 3.25Å; F544-S548 PolarHBondContact O-N 3.17Å; F544-S548 VanDerWaalsContact O-N 3.11Å; F544-S548 PolarHBondContact O-OG 3.33Å
545	L	97.2	Very high	88.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-40.2	174.8	-73.3	-174.1	0	0	0	111.8	I491 I519 I521 Y541 V542 E547 S548 L549 L563 L619	I491-L545 HydrophobicContact CB-CD2 4.25Å; I491-L545 HydrophobicContact CG1-CD2 4.21Å; I491-L545 HydrophobicContact CG2-CD2 3.94Å; I519-L545 HydrophobicContact CG2-CD2 3.97Å; I521-L545 HydrophobicContact CG2-CD1 3.97Å; I521-L545 HydrophobicContact CG2-CD2 3.84Å; I521-L545 HydrophobicContact CG2-CG 4.28Å; Y541-L545 HydrophobicContact CE1-CD1 4Å; Y541-L545 HydrophobicContact CE2-CD1 4.37Å; Y541-L545 PolarHBondContact O-N 2.72Å; V542-L545 PolarHBondContact O-N 3.04Å; L545-E547 PolarHBondContact O-N 2.89Å; L545-S548 WeakPolarHBondContact O-CB 3.34Å; L545-S548 PolarHBondContact O-N 3.43Å; L545-L549 WeakPolarHBondContact O-CB 3.37Å; L545-L549 WeakPolarHBondContact O-CG 3.27Å; L545-L549 PolarHBondContact O-N 3.19Å; L545-L563 HydrophobicContact CD1-CD1 4.28Å; L545-L619 HydrophobicContact CB-CD2 4.16Å; L545-L619 HydrophobicContact CD1-CD1 3.88Å; L545-L619 HydrophobicContact CD1-CD2 3.6Å; L545-L619 HydrophobicContact CD1-CG 4.34Å
546	K	94.9	Very high	89.8	Confident	63 Å²	63	34.3 Å²	34.3	27%	0.274	17%	0.17	S	C	.	.	H	α-helix	trans	-59.3	-46.4	172.5	-179.5	-178.4	174.3	-176.8	0	111.9	V542 G543 S548 L549 D550 L622	V542-K546 VanDerWaalsContact O-CB 3.26Å; V542-K546 WeakPolarHBondContact O-CB 3.2Å; V542-K546 PolarHBondContact O-N 3.17Å; G543-K546 PolarHBondContact O-N 2.95Å; K546-S548 VanDerWaalsContact C-N 3.27Å; K546-S548 PolarHBondContact O-N 3.09Å; K546-L549 PolarHBondContact O-N 2.97Å; K546-D550 VanDerWaalsContact O-CB 3.3Å; K546-D550 WeakPolarHBondContact O-CB 3.41Å; K546-D550 PolarHBondContact O-N 3.05Å; K546-L622 HydrophobicContact CB-CD1 4.43Å; K546-L622 HydrophobicContact CB-CD2 3.95Å; K546-L622 HydrophobicContact CD-CD1 4.16Å; K546-L622 HydrophobicContact CG-CD1 4.16Å; K546-L622 HydrophobicContact CG-CD2 4.5Å
547	E	88.7	Confident	90.6	Very high	49 Å²	49	34.7 Å²	34.7	23%	0.229	17%	0.174	C	C	.	.	H	α-helix	trans	-55.2	-45.3	175	-177.4	-167.8	157.1	0	0	111.3	R496 G543 L545 Y551	R496-E547 IonicContact CZ-OE1 3.6Å; R496-E547 IonicContact NH1-OE1 2.84Å; R496-E547 IonicContact NH2-OE1 2.74Å; R496-E547 PolarHBondContact NH2-OE1 2.9Å; G543-E547 PolarHBondContact O-N 3.36Å; L545-E547 PolarHBondContact O-N 2.89Å; E547-Y551 WeakPolarHBondContact O-CB 3.24Å; E547-Y551 PolarHBondContact O-N 3.23Å
548	S	96.7	Very high	91.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-43	-178.1	-59.2	0	0	0	0	112.5	P492 F544 L545 K546 Y551 L552	P492-S548 WeakPolarHBondContact CA-OG 3.41Å; P492-S548 WeakPolarHBondContact CD-OG 3.22Å; P492-S548 WeakPolarHBondContact CG-OG 3.18Å; F544-S548 WeakPolarHBondContact O-CB 3.25Å; F544-S548 PolarHBondContact O-N 3.17Å; F544-S548 VanDerWaalsContact O-N 3.11Å; F544-S548 PolarHBondContact O-OG 3.33Å; L545-S548 WeakPolarHBondContact O-CB 3.34Å; L545-S548 PolarHBondContact O-N 3.43Å; K546-S548 VanDerWaalsContact C-N 3.27Å; K546-S548 PolarHBondContact O-N 3.09Å; S548-Y551 PolarHBondContact O-N 2.88Å; S548-L552 WeakPolarHBondContact O-CG 3.27Å; S548-L552 PolarHBondContact O-N 2.96Å
549	L	98.5	Very high	92.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-40.4	178.2	-66.5	171.9	0	0	0	111.8	I519 L545 K546 Y551 L552 Q553 V561 L563 L622 I623 Y628 V636	I519-L549 HydrophobicContact CD1-CD2 3.82Å; L545-L549 WeakPolarHBondContact O-CB 3.37Å; L545-L549 WeakPolarHBondContact O-CG 3.27Å; L545-L549 PolarHBondContact O-N 3.19Å; K546-L549 PolarHBondContact O-N 2.97Å; L549-Y551 VanDerWaalsContact C-N 3.29Å; L549-Y551 PolarHBondContact O-N 3.49Å; L549-L552 PolarHBondContact O-N 3.38Å; L549-Q553 WeakPolarHBondContact O-CB 3.5Å; L549-Q553 PolarHBondContact O-N 3.05Å; L549-V561 HydrophobicContact CD2-CG1 3.83Å; L549-L563 HydrophobicContact CD1-CD2 4.12Å; L549-L622 HydrophobicContact CD1-CD2 4.28Å; L549-I623 HydrophobicContact CD1-CD1 4.26Å; L549-Y628 HydrophobicContact CB-CD1 4.39Å; L549-Y628 HydrophobicContact CB-CE1 3.6Å; L549-Y628 HydrophobicContact CB-CE2 4.09Å; L549-Y628 VanDerWaalsContact CB-CZ 3.41Å; L549-Y628 WeakPolarHBondContact CB-OH 3.44Å; L549-Y628 HydrophobicContact CD1-CE2 3.75Å; L549-V636 HydrophobicContact CD1-CG1 4.28Å; L549-V636 HydrophobicContact CD2-CG1 3.98Å; L549-V636 HydrophobicContact CD2-CG2 3.87Å
550	D	96.4	Very high	93.6	Very high	28 Å²	28	30.3 Å²	30.3	15%	0.15	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-41.6	173.1	-76	-15.4	0	0	0	110.9	K546 K554 R627 Y628	K546-D550 VanDerWaalsContact O-CB 3.3Å; K546-D550 WeakPolarHBondContact O-CB 3.41Å; K546-D550 PolarHBondContact O-N 3.05Å; D550-K554 WeakPolarHBondContact O-CB 3.39Å; D550-K554 PolarHBondContact O-N 2.74Å; D550-K554 VanDerWaalsContact O-N 3.13Å; D550-R627 IonicContact OD1-CZ 3.64Å; D550-R627 VanDerWaalsContact OD1-CZ 3.29Å; D550-R627 IonicContact OD1-NE 2.75Å; D550-R627 PolarHBondContact OD1-NE 3.42Å; D550-R627 IonicContact OD1-NH2 2.74Å; D550-R627 PolarHBondContact OD1-NH2 2.66Å; D550-R627 IonicContact OD2-CZ 2.74Å; D550-R627 IonicContact OD2-NE 3.74Å; D550-R627 IonicContact OD2-NH2 3.29Å; D550-R627 PolarHBondContact OD2-NH2 3.37Å; D550-Y628 WeakPolarHBondContact OD1-CE1 3.3Å
551	Y	95.9	Very high	94.9	Very high	60 Å²	60	29.2 Å²	29.2	24%	0.235	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-43.5	175.4	-178.4	-95.3	0	0	0	112.2	V495 R496 V499 E547 S548 L549 K554 E555	V495-Y551 HydrophobicContact CG1-CD1 3.7Å; V495-Y551 HydrophobicContact CG1-CE1 4.28Å; R496-Y551 HydrophobicContact CG-CD1 4.43Å; R496-Y551 HydrophobicContact CG-CE1 3.95Å; R496-Y551 HydrophobicContact CG-CE2 4.31Å; V499-Y551 HydrophobicContact CB-CE1 4.07Å; V499-Y551 HydrophobicContact CG1-CE1 4.32Å; V499-Y551 HydrophobicContact CG2-CD1 4.44Å; V499-Y551 HydrophobicContact CG2-CE1 3.85Å; E547-Y551 WeakPolarHBondContact O-CB 3.24Å; E547-Y551 PolarHBondContact O-N 3.23Å; S548-Y551 PolarHBondContact O-N 2.88Å; L549-Y551 VanDerWaalsContact C-N 3.29Å; L549-Y551 PolarHBondContact O-N 3.49Å; Y551-K554 PolarHBondContact O-N 3.42Å; Y551-E555 HydrophobicContact CD1-CG 4.39Å; Y551-E555 HydrophobicContact CD2-CG 3.99Å; Y551-E555 HydrophobicContact CE1-CB 4.34Å; Y551-E555 HydrophobicContact CE1-CG 4.1Å; Y551-E555 HydrophobicContact CE2-CG 3.64Å; Y551-E555 HydrophobicContact CG-CG 4.36Å; Y551-E555 WeakPolarHBondContact O-CB 3.33Å; Y551-E555 WeakPolarHBondContact O-CG 3.15Å; Y551-E555 PolarHBondContact O-N 2.93Å
552	L	98.4	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-46.3	176.4	-75	172.6	0	0	0	112	V495 V499 I517 I519 S548 L549 K554 E555 V556 V561 F634	V495-L552 HydrophobicContact CG1-CD1 4.33Å; V495-L552 HydrophobicContact CG1-CD2 3.75Å; V495-L552 HydrophobicContact CG1-CG 3.73Å; V499-L552 HydrophobicContact CG2-CD2 3.93Å; I517-L552 HydrophobicContact CD1-CD2 3.91Å; I519-L552 HydrophobicContact CD1-CD1 3.97Å; S548-L552 WeakPolarHBondContact O-CG 3.27Å; S548-L552 PolarHBondContact O-N 2.96Å; L549-L552 PolarHBondContact O-N 3.38Å; L552-K554 PolarHBondContact O-N 3.43Å; L552-E555 PolarHBondContact O-N 3.23Å; L552-V556 HydrophobicContact CD2-CG2 3.68Å; L552-V556 WeakPolarHBondContact O-CB 3.39Å; L552-V556 PolarHBondContact O-N 3.42Å; L552-V561 HydrophobicContact CD1-CG2 4.17Å; L552-F634 HydrophobicContact CB-CE2 3.97Å; L552-F634 HydrophobicContact CB-CZ 3.88Å
553	Q	97.1	Very high	95.8	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-39.1	178.2	-174.5	177.1	28.5	0	0	111.5	L549 R627 Y628 T630 F634	L549-Q553 WeakPolarHBondContact O-CB 3.5Å; L549-Q553 PolarHBondContact O-N 3.05Å; Q553-R627 PolarHBondContact NE2-O 3.18Å; Q553-Y628 HydrophobicContact CB-CD1 4.45Å; Q553-T630 PolarHBondContact NE2-OG1 3.01Å; Q553-F634 VanDerWaalsContact CA-CZ 3.5Å; Q553-F634 HydrophobicContact CB-CD1 3.91Å; Q553-F634 HydrophobicContact CB-CE1 3.57Å; Q553-F634 HydrophobicContact CB-CE2 4.38Å; Q553-F634 HydrophobicContact CB-CG 4.44Å; Q553-F634 HydrophobicContact CB-CZ 3.85Å; Q553-F634 HydrophobicContact CG-CD1 3.77Å; Q553-F634 HydrophobicContact CG-CE1 3.94Å; Q553-F634 HydrophobicContact CG-CG 4.27Å
554	K	95.9	Very high	96.7	Very high	164 Å²	164	26.7 Å²	26.7	71%	0.713	12%	0.12	S	C	*	.	H	α-helix	trans	-72	-41.2	179.1	-178.8	-176.6	173.2	-173.3	0	113.2	D550 Y551 L552	D550-K554 WeakPolarHBondContact O-CB 3.39Å; D550-K554 PolarHBondContact O-N 2.74Å; D550-K554 VanDerWaalsContact O-N 3.13Å; Y551-K554 PolarHBondContact O-N 3.42Å; L552-K554 PolarHBondContact O-N 3.43Å
555	E	97.5	Very high	97.1	Very high	52 Å²	52	25 Å²	25	24%	0.243	11%	0.112	C	C	.	.	H	α-helix	trans	-105.2	-18.8	-164.6	-66.4	-69.7	146.8	0	0	114.7	V499 K503 F510 Y551 L552	V499-E555 HydrophobicContact CG1-CB 4.29Å; K503-E555 IonicContact NZ-OE2 2.94Å; K503-E555 PolarHBondContact NZ-OE2 3.17Å; F510-E555 VanDerWaalsContact CE1-O 3.25Å; F510-E555 WeakPolarHBondContact CE1-O 3.22Å; F510-E555 VanDerWaalsContact CZ-O 3.26Å; F510-E555 WeakPolarHBondContact CZ-O 3.25Å; Y551-E555 HydrophobicContact CD1-CG 4.39Å; Y551-E555 HydrophobicContact CD2-CG 3.99Å; Y551-E555 HydrophobicContact CE1-CB 4.34Å; Y551-E555 HydrophobicContact CE1-CG 4.1Å; Y551-E555 HydrophobicContact CE2-CG 3.64Å; Y551-E555 HydrophobicContact CG-CG 4.36Å; Y551-E555 WeakPolarHBondContact O-CB 3.33Å; Y551-E555 WeakPolarHBondContact O-CG 3.15Å; Y551-E555 PolarHBondContact O-N 2.93Å; L552-E555 PolarHBondContact O-N 3.23Å
556	V	98.1	Very high	97	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	11%	0.113	C	C	.	.			trans	-117.7	102.1	-171.5	-169.5	0	0	0	0	110.3	V499 M502 F510 K515 I517 L552 A559	V499-V556 HydrophobicContact CG1-CG2 4.4Å; V499-V556 HydrophobicContact CG2-CG2 3.55Å; M502-V556 HydrophobicContact CE-CG1 4.36Å; M502-V556 HydrophobicContact CE-CG2 4.36Å; F510-V556 HydrophobicContact CZ-CB 4.48Å; F510-V556 HydrophobicContact CZ-CG1 4.39Å; F510-V556 HydrophobicContact CZ-CG2 4.24Å; K515-V556 HydrophobicContact CD-CG1 3.82Å; I517-V556 HydrophobicContact CD1-CG1 4.32Å; L552-V556 HydrophobicContact CD2-CG2 3.68Å; L552-V556 WeakPolarHBondContact O-CB 3.39Å; L552-V556 PolarHBondContact O-N 3.42Å; V556-A559 HydrophobicContact CG1-CB 3.96Å
557	P	97.5	Very high	96.8	Very high	22 Å²	22	23 Å²	23	14%	0.143	10%	0.104	C	C	.	.	S	Bend	trans	-72.2	155.9	173.3	32.2	-34.9	0	0	0	110.3	F510	F510-P557 HydrophobicContact CE1-CG 4.41Å; F510-P557 WeakPolarHBondContact O-CG 3.26Å
558	R	98.3	Very high	96.9	Very high	52 Å²	52	22.7 Å²	22.7	20%	0.196	10%	0.101	C	C	.	.	S	Bend	trans	53.4	59.6	174.3	-63.9	-177.9	-179.4	-133	-12.3	113.2	P391 E511 S512 W514 K515 D633	P391-R558 PolarHBondContact O-NH1 3.43Å; E511-R558 WeakPolarHBondContact O-CD 3.36Å; S512-R558 WeakPolarHBondContact O-CD 3.43Å; S512-R558 PolarHBondContact O-NH1 2.82Å; W514-R558 WeakPolarHBondContact CA-O 3.38Å; W514-R558 HydrophobicContact CD2-CB 3.7Å; W514-R558 HydrophobicContact CD2-CG 4.29Å; W514-R558 VanDerWaalsContact CE3-CA 3.49Å; W514-R558 HydrophobicContact CE3-CB 3.59Å; W514-R558 HydrophobicContact CE3-CG 4.42Å; W514-R558 HydrophobicContact CG-CB 4.38Å; W514-R558 HydrophobicContact CH2-CB 4.17Å; W514-R558 HydrophobicContact CH2-CG 4.23Å; W514-R558 HydrophobicContact CZ2-CB 4.29Å; W514-R558 HydrophobicContact CZ2-CG 4.1Å; W514-R558 HydrophobicContact CZ3-CB 3.84Å; W514-R558 HydrophobicContact CZ3-CG 4.39Å; K515-R558 PolarHBondContact N-O 2.83Å; R558-D633 CarbonylContact C-O 3.46Å; R558-D633 WeakPolarHBondContact CA-O 3.49Å; R558-D633 HydrophobicContact CG-CB 4.34Å; R558-D633 PolarHBondContact N-O 2.88Å
559	A	98.5	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.8	-179.1	0	0	0	0	0	113.4	K515 I517 V556 D633 F634 T635	K515-A559 HydrophobicContact CB-CB 4.42Å; K515-A559 WeakPolarHBondContact O-CA 3.21Å; I517-A559 HydrophobicContact CD1-CB 4.46Å; V556-A559 HydrophobicContact CG1-CB 3.96Å; A559-D633 PolarHBondContact N-O 3.2Å; A559-F634 HydrophobicContact CB-CD2 3.77Å; A559-F634 HydrophobicContact CB-CE2 3.93Å; A559-F634 VanDerWaalsContact O-CA 3.31Å; A559-F634 WeakPolarHBondContact O-CA 3.08Å; A559-T635 PolarHBondContact O-N 3.28Å
560	L	98.8	Very high	96.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	161.9	-168.5	157.6	0	0	0	107.1	V394 L397 K515 L516 I517 T635 I712 T714	V394-L560 HydrophobicContact CG2-CB 3.84Å; V394-L560 HydrophobicContact CG2-CD1 4.11Å; V394-L560 HydrophobicContact CG2-CG 4.17Å; L397-L560 HydrophobicContact CD1-CB 4.34Å; L397-L560 HydrophobicContact CD1-CD1 4.31Å; K515-L560 PolarHBondContact O-N 3.19Å; L516-L560 WeakPolarHBondContact CA-O 3.26Å; L516-L560 HydrophobicContact CD1-CB 4.14Å; L516-L560 HydrophobicContact CD1-CD2 3.52Å; L516-L560 HydrophobicContact CD1-CG 4.34Å; I517-L560 PolarHBondContact N-O 3.33Å; L560-T635 HydrophobicContact CG-CG2 4.18Å; L560-I712 HydrophobicContact CD1-CB 4.21Å; L560-I712 HydrophobicContact CD1-CG2 3.61Å; L560-T714 HydrophobicContact CD1-CG2 4.29Å
561	V	98.8	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.8	177.5	-179.7	0	0	0	0	109.5	I517 I519 L549 L552 F634 T635 V636 V637	I517-V561 HydrophobicContact CB-CG2 4.34Å; I517-V561 CarbonylContact O-C 3.48Å; I517-V561 WeakPolarHBondContact O-CA 3.24Å; I519-V561 HydrophobicContact CD1-CG1 4Å; I519-V561 HydrophobicContact CG1-CG1 4.17Å; L549-V561 HydrophobicContact CD2-CG1 3.83Å; L552-V561 HydrophobicContact CD1-CG2 4.17Å; V561-F634 HydrophobicContact CG2-CE2 3.99Å; V561-F634 HydrophobicContact CG2-CZ 3.78Å; V561-T635 PolarHBondContact N-O 3.15Å; V561-V636 HydrophobicContact CB-CB 4.38Å; V561-V636 HydrophobicContact CB-CG1 4.26Å; V561-V636 HydrophobicContact CB-CG2 4.02Å; V561-V636 HydrophobicContact CG1-CG1 4.2Å; V561-V636 HydrophobicContact CG1-CG2 4.48Å; V561-V636 HydrophobicContact CG2-CG2 4.41Å; V561-V636 WeakPolarHBondContact O-CA 3.27Å; V561-V637 PolarHBondContact O-N 2.96Å
562	N	98.7	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	107.8	166.4	-76.3	-29.8	0	0	0	109	I517 T518 I519 Q639 L679 M683	I517-N562 PolarHBondContact O-N 3.38Å; T518-N562 WeakPolarHBondContact CA-O 3.37Å; T518-N562 HydrophobicContact CG2-CB 4.33Å; I519-N562 PolarHBondContact N-O 3.22Å; N562-Q639 HydrophobicContact CB-CG 4.19Å; N562-Q639 PolarHBondContact OD1-NE2 3.48Å; N562-L679 HydrophobicContact CB-CD1 4.5Å; N562-M683 PolarHBondContact ND2-SD 2.91Å
563	L	98.6	Very high	95	Very high	2 Å²	2	22 Å²	22	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.6	171.6	-178.9	63.9	0	0	0	109.2	I519 L545 L549 L619 I623 V636 V637 I638 Q639	I519-L563 HydrophobicContact CB-CD1 4.08Å; I519-L563 HydrophobicContact CG2-CD1 4.11Å; L545-L563 HydrophobicContact CD1-CD1 4.28Å; L549-L563 HydrophobicContact CD1-CD2 4.12Å; L563-L619 HydrophobicContact CD2-CD2 4.33Å; L563-I623 HydrophobicContact CD2-CD1 3.95Å; L563-I623 HydrophobicContact CD2-CG1 3.99Å; L563-V636 HydrophobicContact CB-CG1 3.87Å; L563-V636 HydrophobicContact CD2-CG1 4.35Å; L563-V637 PolarHBondContact N-O 3.11Å; L563-I638 CarbonylContact O-C 3.15Å; L563-I638 WeakPolarHBondContact O-CA 3.1Å; L563-Q639 PolarHBondContact O-N 3.24Å
564	V	98.4	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128	-175.9	-177.5	0	0	0	0	108.8	W437 T518 I519 F520 Q639 F641 L642 L679	W437-V564 HydrophobicContact CH2-CB 4.44Å; W437-V564 HydrophobicContact CH2-CG1 4.09Å; W437-V564 HydrophobicContact CH2-CG2 3.88Å; T518-V564 HydrophobicContact CG2-CG2 3.92Å; I519-V564 PolarHBondContact O-N 3.29Å; F520-V564 HydrophobicContact CB-CB 4.18Å; F520-V564 HydrophobicContact CD2-CB 3.8Å; F520-V564 HydrophobicContact CD2-CG1 3.6Å; F520-V564 HydrophobicContact CE2-CG1 4.03Å; F520-V564 HydrophobicContact CG-CB 4.35Å; F520-V564 HydrophobicContact CG-CG1 4.37Å; V564-Q639 HydrophobicContact CG2-CB 4.18Å; V564-F641 HydrophobicContact CG1-CE1 3.85Å; V564-F641 HydrophobicContact CG1-CZ 4.08Å; V564-L642 HydrophobicContact CG1-CD1 3.88Å; V564-L679 HydrophobicContact CG2-CD1 4.36Å
565	E	95.5	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-65	144.9	179.2	-75	-177.7	-168.7	0	0	111.5	F520 L567 Q616 I638 Q639 R643	F520-E565 WeakPolarHBondContact CE2-O 3.45Å; E565-L567 PolarHBondContact O-N 3.4Å; E565-Q616 HydrophobicContact CB-CG 4.47Å; E565-I638 HydrophobicContact CG-CD1 3.82Å; E565-I638 HydrophobicContact CG-CG1 3.84Å; E565-I638 WeakPolarHBondContact OE1-CD1 3.46Å; E565-Q639 PolarHBondContact N-O 2.6Å; E565-R643 IonicContact OE1-CZ 3.59Å; E565-R643 IonicContact OE1-NE 2.86Å; E565-R643 IonicContact OE1-NH2 3.93Å; E565-R643 PolarHBondContact OE1-NH2 3.01Å; E565-R643 WeakPolarHBondContact OE2-CB 3.01Å; E565-R643 IonicContact OE2-CZ 2.69Å; E565-R643 IonicContact OE2-NE 2.58Å; E565-R643 PolarHBondContact OE2-NE 3.47Å; E565-R643 IonicContact OE2-NH2 3.54Å; E565-R643 PolarHBondContact OE2-NH2 3.27Å
566	P	94.9	Very high	94	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-61.9	139.5	174.8	26.7	-32.7	0	0	0	109.8	Y541 Y615 Q616	Y541-P566 WeakPolarHBondContact OH-CD 3.46Å; P566-Y615 HydrophobicContact CG-CD2 4.33Å; P566-Q616 HydrophobicContact CG-CG 4.08Å; P566-Q616 PolarHBondContact O-NE2 3.48Å
567	L	91.9	Very high	93.5	Very high	19 Å²	19	19.4 Å²	19.4	10%	0.099	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.6	-178.7	73.2	112.5	0	0	0	111.8	L412 F520 E565 I569 L572 N612 L642 I645	L412-L567 HydrophobicContact CD1-CD2 4.15Å; F520-L567 HydrophobicContact CZ-CD2 4.04Å; E565-L567 PolarHBondContact O-N 3.4Å; L567-I569 HydrophobicContact CD1-CB 4.19Å; L567-I569 HydrophobicContact CD1-CG1 4.24Å; L567-I569 PolarHBondContact O-N 2.68Å; L567-L572 HydrophobicContact CD1-CD1 3.94Å; L567-L572 HydrophobicContact CD1-CG 4.38Å; L567-N612 PolarHBondContact O-ND2 2.97Å; L567-L642 WeakPolarHBondContact CA-O 3.47Å; L567-L642 HydrophobicContact CB-CB 4.17Å; L567-I645 HydrophobicContact CB-CD1 3.74Å
568	Y	90.9	Very high	92.9	Very high	42 Å²	42	20.5 Å²	20.5	17%	0.165	10%	0.098	C	C	.	.			trans	-67.9	103	167.9	-173.8	-121.1	0	0	0	108.8	P571 E609 N612 L642 R643	Y568-P571 HydrophobicContact CD1-CG 3.5Å; Y568-P571 VanDerWaalsContact CD1-CG 3.5Å; Y568-P571 HydrophobicContact CE1-CG 3.81Å; Y568-P571 WeakPolarHBondContact O-CD 3.31Å; Y568-E609 HydrophobicContact CE2-CG 4.26Å; Y568-E609 VanDerWaalsContact OH-CD 3.27Å; Y568-E609 WeakPolarHBondContact OH-CG 3.36Å; Y568-E609 PolarHBondContact OH-OE1 2.92Å; Y568-E609 VanDerWaalsContact OH-OE1 3.07Å; Y568-N612 WeakPolarHBondContact CA-OD1 3.24Å; Y568-N612 VanDerWaalsContact CD2-OD1 3.29Å; Y568-N612 WeakPolarHBondContact CD2-OD1 3.43Å; Y568-L642 PolarHBondContact N-O 2.95Å; Y568-R643 WeakPolarHBondContact CB-O 3.4Å
569	I	91.3	Very high	92.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.124	C	C	.	.			trans	-82.8	-23.6	-163.5	-160	165.3	0	0	0	113.8	L526 L567 P571 L572 V595 L608 F665	L526-I569 HydrophobicContact CB-CD1 4.48Å; L526-I569 HydrophobicContact CB-CG2 4.38Å; L526-I569 HydrophobicContact CD1-CB 4.43Å; L526-I569 HydrophobicContact CD1-CG2 4.13Å; L567-I569 HydrophobicContact CD1-CB 4.19Å; L567-I569 HydrophobicContact CD1-CG1 4.24Å; L567-I569 PolarHBondContact O-N 2.68Å; I569-P571 VanDerWaalsContact C-CD 3.44Å; I569-L572 HydrophobicContact CG1-CD1 4Å; I569-L572 VanDerWaalsContact O-CB 3.32Å; I569-L572 WeakPolarHBondContact O-CB 3.38Å; I569-L572 WeakPolarHBondContact O-CG 3.49Å; I569-L572 PolarHBondContact O-N 3.41Å; I569-L572 VanDerWaalsContact O-N 3.15Å; I569-V595 HydrophobicContact CD1-CG2 3.89Å; I569-V595 HydrophobicContact CG1-CG1 4.46Å; I569-V595 HydrophobicContact CG1-CG2 4.03Å; I569-V595 HydrophobicContact CG2-CG2 3.82Å; I569-L608 HydrophobicContact CG2-CD2 4.38Å; I569-F665 HydrophobicContact CD1-CE2 4.4Å
570	T	89.5	Confident	91.4	Very high	14 Å²	14	25 Å²	25	9%	0.086	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-56.4	-41.9	-175.1	-45.5	0	0	0	0	114.6	L572 R573 L605 E609	T570-L572 PolarHBondContact O-N 2.89Å; T570-L572 VanDerWaalsContact O-N 3.16Å; T570-R573 VanDerWaalsContact O-CB 3.27Å; T570-R573 WeakPolarHBondContact O-CB 3.35Å; T570-R573 WeakPolarHBondContact O-CD 3.36Å; T570-R573 WeakPolarHBondContact O-CG 3.14Å; T570-R573 PolarHBondContact O-N 2.97Å; T570-R573 VanDerWaalsContact O-N 3.11Å; T570-L605 HydrophobicContact CG2-CD1 3.81Å; T570-L605 HydrophobicContact CG2-CG 4.38Å; T570-E609 HydrophobicContact CG2-CG 4.31Å; T570-E609 WeakPolarHBondContact OG1-CG 3.46Å
571	P	88.8	Confident	90.7	Very high	23 Å²	23	25.5 Å²	25.5	15%	0.149	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-56.1	-33.2	178.8	-26.2	36.6	0	0	0	113	Y568 I569 R573 E574 L647	Y568-P571 HydrophobicContact CD1-CG 3.5Å; Y568-P571 VanDerWaalsContact CD1-CG 3.5Å; Y568-P571 HydrophobicContact CE1-CG 3.81Å; Y568-P571 WeakPolarHBondContact O-CD 3.31Å; I569-P571 VanDerWaalsContact C-CD 3.44Å; P571-R573 PolarHBondContact O-N 3.06Å; P571-E574 PolarHBondContact O-N 2.91Å; P571-L647 HydrophobicContact CB-CD1 4.27Å; P571-L647 HydrophobicContact CB-CG 4.02Å; P571-L647 WeakPolarHBondContact O-CD1 3.41Å
572	L	85.4	Confident	90	Very high	20 Å²	20	31.6 Å²	31.6	11%	0.105	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.9	-23.5	-179.9	-60.6	-172.6	0	0	0	113.4	L567 I569 T570 E574 M575 L647 F660 F665	L567-L572 HydrophobicContact CD1-CD1 3.94Å; L567-L572 HydrophobicContact CD1-CG 4.38Å; I569-L572 HydrophobicContact CG1-CD1 4Å; I569-L572 VanDerWaalsContact O-CB 3.32Å; I569-L572 WeakPolarHBondContact O-CB 3.38Å; I569-L572 WeakPolarHBondContact O-CG 3.49Å; I569-L572 PolarHBondContact O-N 3.41Å; I569-L572 VanDerWaalsContact O-N 3.15Å; T570-L572 PolarHBondContact O-N 2.89Å; T570-L572 VanDerWaalsContact O-N 3.16Å; L572-E574 PolarHBondContact O-N 3.42Å; L572-M575 WeakPolarHBondContact O-CB 3.26Å; L572-M575 PolarHBondContact O-N 3.47Å; L572-L647 HydrophobicContact CD2-CD2 3.96Å; L572-F660 HydrophobicContact CD2-CE1 3.7Å; L572-F660 HydrophobicContact CD2-CZ 3.85Å; L572-F665 HydrophobicContact CD1-CD2 4.24Å; L572-F665 HydrophobicContact CD1-CE2 4.14Å
573	R	90	Very high	89.4	Confident	16 Å²	16	32.4 Å²	32.4	6%	0.06	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-55.5	-32.6	175.2	-66.8	171.6	54.5	123.9	-1.9	112.9	T570 P571 M575 H576 M577 V595 P598	T570-R573 VanDerWaalsContact O-CB 3.27Å; T570-R573 WeakPolarHBondContact O-CB 3.35Å; T570-R573 WeakPolarHBondContact O-CD 3.36Å; T570-R573 WeakPolarHBondContact O-CG 3.14Å; T570-R573 PolarHBondContact O-N 2.97Å; T570-R573 VanDerWaalsContact O-N 3.11Å; P571-R573 PolarHBondContact O-N 3.06Å; R573-M575 PolarHBondContact O-N 3.38Å; R573-H576 PolarHBondContact O-N 2.93Å; R573-M577 WeakPolarHBondContact O-CG 3.3Å; R573-M577 PolarHBondContact O-N 2.98Å; R573-V595 WeakPolarHBondContact CD-O 3.33Å; R573-V595 HydrophobicContact CG-CG1 3.45Å; R573-V595 VanDerWaalsContact CG-CG1 3.45Å; R573-V595 VanDerWaalsContact CG-O 3.22Å; R573-V595 WeakPolarHBondContact CG-O 3.33Å; R573-V595 VanDerWaalsContact CZ-O 3.24Å; R573-V595 PolarHBondContact NE-O 3.09Å; R573-V595 PolarHBondContact NH1-O 2.95Å; R573-P598 VanDerWaalsContact CZ-O 3.27Å; R573-P598 PolarHBondContact NH1-O 3.44Å; R573-P598 PolarHBondContact NH2-O 3.24Å
574	E	89.3	Confident	88.8	Confident	74 Å²	74	33 Å²	33	35%	0.346	19%	0.188	S	C	.	.	H	α-helix	trans	-57.6	-33.1	-178.9	-66.6	-175.6	-140.1	0	0	112.4	P571 L572 H576 M577 D578 L647 R649 P655	P571-E574 PolarHBondContact O-N 2.91Å; L572-E574 PolarHBondContact O-N 3.42Å; E574-H576 PolarHBondContact O-N 3.25Å; E574-M577 PolarHBondContact O-N 2.88Å; E574-D578 PolarHBondContact O-N 3.3Å; E574-L647 HydrophobicContact CB-CD1 3.73Å; E574-L647 HydrophobicContact CG-CD1 4.18Å; E574-R649 IonicContact OE1-NH2 3.62Å; E574-R649 PolarHBondContact OE1-NH2 3.14Å; E574-R649 IonicContact OE2-CZ 2.66Å; E574-R649 IonicContact OE2-NH1 3.66Å; E574-R649 PolarHBondContact OE2-NH1 2.67Å; E574-R649 IonicContact OE2-NH2 3.18Å; E574-R649 PolarHBondContact OE2-NH2 2.98Å; E574-P655 HydrophobicContact CB-CG 4.12Å
575	M	89.9	Confident	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-30.4	176	-66.6	-59.9	-60.4	0	0	112.8	L572 R573 L581 C583 P655 R657 F660 C664	L572-M575 WeakPolarHBondContact O-CB 3.26Å; L572-M575 PolarHBondContact O-N 3.47Å; R573-M575 PolarHBondContact O-N 3.38Å; M575-L581 HydrophobicContact CE-CD1 4.03Å; M575-L581 HydrophobicContact SD-CD1 4.18Å; M575-C583 PolarHBondContact O-SG 3.13Å; M575-P655 HydrophobicContact SD-CB 3.28Å; M575-P655 WeakPolarHBondContact SD-CB 3.27Å; M575-P655 HydrophobicContact SD-CG 4.26Å; M575-R657 HydrophobicContact CE-CB 3.97Å; M575-R657 HydrophobicContact CE-CG 4.12Å; M575-F660 HydrophobicContact CE-CD2 3.67Å; M575-F660 HydrophobicContact CE-CE2 4.11Å; M575-F660 HydrophobicContact CE-CG 4.21Å; M575-F660 HydrophobicContact CG-CD2 4.31Å; M575-F660 HydrophobicContact CG-CE1 4.47Å; M575-F660 HydrophobicContact CG-CE2 3.95Å; M575-F660 HydrophobicContact CG-CZ 4.05Å; M575-F660 HydrophobicContact SD-CD2 3.82Å; M575-F660 HydrophobicContact SD-CE2 3.6Å; M575-F660 VanDerWaalsContact SD-CE2 3.6Å; M575-F660 HydrophobicContact SD-CZ 4.28Å; M575-C664 HydrophobicContact CB-CB 4.28Å; M575-C664 HydrophobicContact CE-CB 4.17Å
576	H	90.8	Very high	87.3	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.065	21%	0.207	C	C	.	.	H	α-helix	trans	-101.6	-7.7	-173.8	-70.1	-82.3	0	0	0	113.6	R573 E574 T585 L588 V596 C664	R573-H576 PolarHBondContact O-N 2.93Å; E574-H576 PolarHBondContact O-N 3.25Å; H576-T585 HydrophobicContact CB-CG2 4.05Å; H576-T585 WeakPolarHBondContact ND1-CA 3.32Å; H576-T585 PolarHBondContact ND1-OG1 3.13Å; H576-T585 PolarHBondContact O-OG1 3.33Å; H576-L588 WeakPolarHBondContact CD2-CD2 3.31Å; H576-L588 WeakPolarHBondContact NE2-CD2 3.47Å; H576-V596 HydrophobicContact CB-CG1 4.15Å; H576-C664 PolarHBondContact NE2-O 3.01Å
577	M	86.8	Confident	86.4	Confident	105 Å²	105	38.4 Å²	38.4	52%	0.517	22%	0.215	S	C	.	.	H	α-helix	trans	-92.2	-21.3	176.6	-63.5	-68.3	164.8	0	0	112.4	R573 E574	R573-M577 WeakPolarHBondContact O-CG 3.3Å; R573-M577 PolarHBondContact O-N 2.98Å; E574-M577 PolarHBondContact O-N 2.88Å
578	D	85.7	Confident	86.1	Confident	45 Å²	45	37.7 Å²	37.7	24%	0.241	21%	0.211	C	C	.	.			trans	-95	101.9	175	-173.5	-16.2	0	0	0	111.2	E574 S580 L581 R654	E574-D578 PolarHBondContact O-N 3.3Å; D578-S580 VanDerWaalsContact CG-OG 3.24Å; D578-S580 PolarHBondContact O-N 2.97Å; D578-S580 VanDerWaalsContact O-N 3.12Å; D578-S580 WeakPolarHBondContact OD1-CA 3.32Å; D578-S580 WeakPolarHBondContact OD1-CB 3.49Å; D578-S580 PolarHBondContact OD1-N 3.16Å; D578-S580 PolarHBondContact OD1-OG 2.61Å; D578-S580 PolarHBondContact OD2-OG 3.18Å; D578-L581 HydrophobicContact CB-CD1 3.99Å; D578-L581 HydrophobicContact CB-CG 4.06Å; D578-L581 WeakPolarHBondContact O-CB 3.48Å; D578-L581 PolarHBondContact O-N 2.87Å; D578-L581 VanDerWaalsContact O-N 3.12Å; D578-R654 WeakPolarHBondContact OD2-CD 3.43Å
579	A	82.1	Confident	85.5	Confident	88 Å²	88	38.6 Å²	38.6	73%	0.727	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-59.7	-22.4	178.7	0	0	0	0	0	113.6	L581 N582	A579-L581 PolarHBondContact O-N 2.62Å; A579-N582 PolarHBondContact O-N 3.47Å
580	S	83.8	Confident	84.6	Confident	59 Å²	59	42.8 Å²	42.8	41%	0.413	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-68.4	-19	178.8	78.6	0	0	0	0	113.3	D578 N582 R654	D578-S580 VanDerWaalsContact CG-OG 3.24Å; D578-S580 PolarHBondContact O-N 2.97Å; D578-S580 VanDerWaalsContact O-N 3.12Å; D578-S580 WeakPolarHBondContact OD1-CA 3.32Å; D578-S580 WeakPolarHBondContact OD1-CB 3.49Å; D578-S580 PolarHBondContact OD1-N 3.16Å; D578-S580 PolarHBondContact OD1-OG 2.61Å; D578-S580 PolarHBondContact OD2-OG 3.18Å; S580-N582 VanDerWaalsContact C-N 3.3Å; S580-R654 PolarHBondContact OG-NH1 2.72Å
581	L	84.1	Confident	84.2	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.058	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.2	-12.7	179	-61.2	178.9	0	0	0	112.8	M575 D578 A579 C583 P655 R657	M575-L581 HydrophobicContact CE-CD1 4.03Å; M575-L581 HydrophobicContact SD-CD1 4.18Å; D578-L581 HydrophobicContact CB-CD1 3.99Å; D578-L581 HydrophobicContact CB-CG 4.06Å; D578-L581 WeakPolarHBondContact O-CB 3.48Å; D578-L581 PolarHBondContact O-N 2.87Å; D578-L581 VanDerWaalsContact O-N 3.12Å; A579-L581 PolarHBondContact O-N 2.62Å; L581-C583 PolarHBondContact O-N 3.23Å; L581-P655 HydrophobicContact CD1-CB 4.02Å; L581-P655 HydrophobicContact CD1-CG 4.14Å; L581-R657 WeakPolarHBondContact O-CD 3.35Å; L581-R657 PolarHBondContact O-NH1 3.26Å
582	N	83.2	Confident	84.2	Confident	128 Å²	128	44.8 Å²	44.8	68%	0.684	25%	0.249	S	C	*	.			trans	50.8	39.1	-177.3	-62.3	-50.5	0	0	0	112.9	A579 S580	A579-N582 PolarHBondContact O-N 3.47Å; S580-N582 VanDerWaalsContact C-N 3.3Å
583	C	87.5	Confident	84.2	Confident	17 Å²	17	44.3 Å²	44.3	12%	0.115	25%	0.247	C	C	.	.			trans	-73.9	139.3	174.8	-69.7	0	0	0	0	110.1	M575 L581 T585 C664	M575-C583 PolarHBondContact O-SG 3.13Å; L581-C583 PolarHBondContact O-N 3.23Å; C583-T585 PolarHBondContact O-N 3.1Å; C583-C664 WeakPolarHBondContact CA-SG 3.01Å; C583-C664 HydrophobicContact CB-CB 3.5Å; C583-C664 VanDerWaalsContact CB-CB 3.5Å; C583-C664 WeakPolarHBondContact CB-SG 3.19Å; C583-C664 WeakPolarHBondContact SG-CB 3.22Å; C583-C664 CovalentContact SG-SG 2.03Å; C583-C664 PolarHBondContact SG-SG 3.15Å
584	P	84.4	Confident	84.1	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.091	25%	0.246	C	C	.	.			trans	-75.3	71.5	-179.7	31.6	-34.4	0	0	0	110.4	V425 W586 L587 L588 D663	V425-P584 HydrophobicContact CG1-CG 4.44Å; V425-P584 HydrophobicContact CG2-CG 4.22Å; P584-W586 PolarHBondContact O-N 2.8Å; P584-L587 HydrophobicContact CB-CB 4.18Å; P584-L587 WeakPolarHBondContact O-CB 3.45Å; P584-L587 PolarHBondContact O-N 3.3Å; P584-L588 PolarHBondContact O-N 3.37Å; P584-D663 HydrophobicContact CG-CB 4.41Å
585	T	84.4	Confident	84.2	Confident	43 Å²	43	40.3 Å²	40.3	26%	0.264	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-30.2	-177	-59.1	0	0	0	0	112.7	H576 C583 L587 L588 N589	H576-T585 HydrophobicContact CB-CG2 4.05Å; H576-T585 WeakPolarHBondContact ND1-CA 3.32Å; H576-T585 PolarHBondContact ND1-OG1 3.13Å; H576-T585 PolarHBondContact O-OG1 3.33Å; C583-T585 PolarHBondContact O-N 3.1Å; T585-L587 VanDerWaalsContact C-N 3.29Å; T585-L587 PolarHBondContact O-N 3.07Å; T585-L588 PolarHBondContact O-N 3.39Å; T585-N589 PolarHBondContact O-N 2.97Å; T585-N589 PolarHBondContact O-OD1 3.07Å
586	W	77.8	Confident	84.2	Confident	38 Å²	38	40.7 Å²	40.7	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-43.9	171.1	68	-91.4	0	0	0	112	E243 I247 P584 L588 N589 I590	E243-W586 HydrophobicContact CG-CB 4.43Å; E243-W586 HydrophobicContact CG-CD2 4.47Å; E243-W586 HydrophobicContact CG-CE3 3.81Å; I247-W586 HydrophobicContact CB-CH2 4.46Å; I247-W586 HydrophobicContact CD1-CZ3 3.89Å; I247-W586 HydrophobicContact CG1-CE3 4.07Å; I247-W586 HydrophobicContact CG1-CH2 3.49Å; I247-W586 VanDerWaalsContact CG1-CH2 3.49Å; I247-W586 HydrophobicContact CG1-CZ2 4.44Å; I247-W586 HydrophobicContact CG1-CZ3 3.27Å; P584-W586 PolarHBondContact O-N 2.8Å; W586-L588 VanDerWaalsContact C-N 3.35Å; W586-L588 PolarHBondContact O-N 2.99Å; W586-N589 WeakPolarHBondContact O-CB 3.31Å; W586-N589 PolarHBondContact O-N 3.4Å; W586-I590 HydrophobicContact CE3-CD1 4.38Å; W586-I590 HydrophobicContact CZ3-CD1 4.39Å; W586-I590 PolarHBondContact O-N 3.07Å
587	L	77.9	Confident	84	Confident	34 Å²	34	45.1 Å²	45.1	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-40.6	-179.3	177.4	62	0	0	0	110.6	V425 P584 T585 N589 I590 L591 D663	V425-L587 HydrophobicContact CG1-CD2 3.51Å; P584-L587 HydrophobicContact CB-CB 4.18Å; P584-L587 WeakPolarHBondContact O-CB 3.45Å; P584-L587 PolarHBondContact O-N 3.3Å; T585-L587 VanDerWaalsContact C-N 3.29Å; T585-L587 PolarHBondContact O-N 3.07Å; L587-N589 VanDerWaalsContact C-N 3.32Å; L587-N589 PolarHBondContact O-N 2.98Å; L587-I590 WeakPolarHBondContact O-CB 3.32Å; L587-I590 PolarHBondContact O-N 3.08Å; L587-I590 VanDerWaalsContact O-N 3.16Å; L587-L591 HydrophobicContact CD1-CD1 3.96Å; L587-L591 HydrophobicContact CD1-CG 4.15Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.88Å; L587-L591 HydrophobicContact CG-CG 4.38Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 2.81Å; L587-D663 HydrophobicContact CD2-CB 4.07Å
588	L	84.7	Confident	84.1	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-74.1	-23.7	179	-161.9	57.8	0	0	0	112.9	H576 P584 T585 W586 I590 L591 C592 V596 F665	H576-L588 WeakPolarHBondContact CD2-CD2 3.31Å; H576-L588 WeakPolarHBondContact NE2-CD2 3.47Å; P584-L588 PolarHBondContact O-N 3.37Å; T585-L588 PolarHBondContact O-N 3.39Å; W586-L588 VanDerWaalsContact C-N 3.35Å; W586-L588 PolarHBondContact O-N 2.99Å; L588-I590 PolarHBondContact O-N 3.18Å; L588-L591 HydrophobicContact CD1-CB 4.14Å; L588-L591 PolarHBondContact O-N 3.35Å; L588-C592 HydrophobicContact CD1-CB 3.47Å; L588-C592 VanDerWaalsContact CD1-CB 3.47Å; L588-C592 HydrophobicContact CG-CB 4.02Å; L588-C592 CarbonylContact O-C 3.49Å; L588-C592 VanDerWaalsContact O-C 3.32Å; L588-C592 WeakPolarHBondContact O-CA 3.44Å; L588-C592 PolarHBondContact O-N 3.36Å; L588-V596 HydrophobicContact CB-CG1 4.43Å; L588-V596 HydrophobicContact CB-CG2 4.38Å; L588-V596 HydrophobicContact CD2-CG1 3.51Å; L588-V596 HydrophobicContact CG-CG1 3.87Å; L588-V596 HydrophobicContact CG-CG2 4.21Å; L588-F665 HydrophobicContact CD1-CB 3.83Å; L588-F665 HydrophobicContact CD1-CD1 3.86Å; L588-F665 HydrophobicContact CD1-CD2 3.6Å; L588-F665 HydrophobicContact CD1-CE1 4.3Å; L588-F665 HydrophobicContact CD1-CE2 4.08Å; L588-F665 HydrophobicContact CD1-CG 3.48Å; L588-F665 VanDerWaalsContact CD1-CG 3.48Å; L588-F665 HydrophobicContact CD1-CZ 4.4Å; L588-F665 HydrophobicContact CD2-CB 4.13Å; L588-F665 HydrophobicContact CD2-CD2 3.83Å; L588-F665 HydrophobicContact CD2-CG 4.2Å; L588-F665 HydrophobicContact CG-CD2 4.42Å
589	N	78.6	Confident	84.1	Confident	62 Å²	62	45.8 Å²	45.8	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-32	168.2	-68.3	-17.7	0	0	0	111.6	T585 W586 L587 P593 V596 M597	T585-N589 PolarHBondContact O-N 2.97Å; T585-N589 PolarHBondContact O-OD1 3.07Å; W586-N589 WeakPolarHBondContact O-CB 3.31Å; W586-N589 PolarHBondContact O-N 3.4Å; L587-N589 VanDerWaalsContact C-N 3.32Å; L587-N589 PolarHBondContact O-N 2.98Å; N589-P593 WeakPolarHBondContact O-CB 3.47Å; N589-V596 VanDerWaalsContact OD1-CG2 3.23Å; N589-V596 WeakPolarHBondContact OD1-CG2 3.22Å; N589-M597 HydrophobicContact CB-CG 4.39Å; N589-M597 HydrophobicContact CB-SD 4.38Å
590	I	72.6	Confident	84.2	Confident	89 Å²	89	45.3 Å²	45.3	46%	0.456	25%	0.246	S	C	.	.	H	α-helix	trans	-77.6	-49	172.7	-62.7	167.9	0	0	0	111.2	E243 W586 L587 L588 P593	E243-I590 WeakPolarHBondContact OE1-CD1 3.38Å; E243-I590 VanDerWaalsContact OE1-CG1 3.27Å; E243-I590 WeakPolarHBondContact OE1-CG1 3.29Å; W586-I590 HydrophobicContact CE3-CD1 4.38Å; W586-I590 HydrophobicContact CZ3-CD1 4.39Å; W586-I590 PolarHBondContact O-N 3.07Å; L587-I590 WeakPolarHBondContact O-CB 3.32Å; L587-I590 PolarHBondContact O-N 3.08Å; L587-I590 VanDerWaalsContact O-N 3.16Å; L588-I590 PolarHBondContact O-N 3.18Å; I590-P593 WeakPolarHBondContact O-CD 3.45Å
591	L	79.8	Confident	84.1	Confident	80 Å²	80	49.3 Å²	49.3	42%	0.419	26%	0.263	S	S	.	.	H	α-helix	trans	-79.2	-32.4	-168.7	-65.7	179.6	0	0	0	113.7	L587 L588	L587-L591 HydrophobicContact CD1-CD1 3.96Å; L587-L591 HydrophobicContact CD1-CG 4.15Å; L587-L591 HydrophobicContact CD2-CD1 4.4Å; L587-L591 HydrophobicContact CG-CD1 3.88Å; L587-L591 HydrophobicContact CG-CG 4.38Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 2.81Å; L588-L591 HydrophobicContact CD1-CB 4.14Å; L588-L591 PolarHBondContact O-N 3.35Å
592	C	89.8	Confident	84	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.			trans	-143	55	-175.8	-157.7	0	0	0	0	112.4	C527 L588 C594 V595 V596 F665	C527-C592 WeakPolarHBondContact CA-SG 3.33Å; C527-C592 HydrophobicContact CB-CB 3.73Å; C527-C592 WeakPolarHBondContact CB-SG 3.46Å; C527-C592 WeakPolarHBondContact SG-CB 3.48Å; C527-C592 CovalentContact SG-SG 2.03Å; C527-C592 PolarHBondContact SG-SG 3.32Å; L588-C592 HydrophobicContact CD1-CB 3.47Å; L588-C592 VanDerWaalsContact CD1-CB 3.47Å; L588-C592 HydrophobicContact CG-CB 4.02Å; L588-C592 CarbonylContact O-C 3.49Å; L588-C592 VanDerWaalsContact O-C 3.32Å; L588-C592 WeakPolarHBondContact O-CA 3.44Å; L588-C592 PolarHBondContact O-N 3.36Å; C592-C594 PolarHBondContact O-N 3.06Å; C592-C594 VanDerWaalsContact O-N 3.15Å; C592-V595 PolarHBondContact O-N 3.13Å; C592-V595 VanDerWaalsContact SG-CB 3.58Å; C592-V595 WeakPolarHBondContact SG-CG2 3.42Å; C592-V596 PolarHBondContact O-N 3.24Å; C592-F665 HydrophobicContact CB-CE2 4.32Å; C592-F665 HydrophobicContact CB-CZ 4.25Å
593	P	85.4	Confident	83.4	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-53.3	-40.8	-174	16.6	-29.8	0	0	0	112.8	N589 I590 V595 V596 M597 P598	N589-P593 WeakPolarHBondContact O-CB 3.47Å; I590-P593 WeakPolarHBondContact O-CD 3.45Å; P593-V595 PolarHBondContact O-N 3.45Å; P593-V596 PolarHBondContact O-N 3.12Å; P593-M597 HydrophobicContact CB-CE 3.26Å; P593-M597 HydrophobicContact CB-CG 4.4Å; P593-M597 HydrophobicContact CB-SD 4.05Å; P593-M597 VanDerWaalsContact O-CB 3.29Å; P593-M597 WeakPolarHBondContact O-CB 3.5Å; P593-M597 WeakPolarHBondContact O-CG 3.4Å; P593-M597 PolarHBondContact O-N 3.42Å; P593-P598 WeakPolarHBondContact O-CD 3.36Å
594	C	87.8	Confident	82.8	Confident	5 Å²	5	52 Å²	52	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-21.6	-175.2	-46.7	0	0	0	0	113.4	L526 C527 C530 C592 P598 L608	L526-C594 WeakPolarHBondContact O-CB 3.14Å; C527-C594 VanDerWaalsContact C-SG 3.59Å; C527-C594 PolarHBondContact O-SG 3.1Å; C530-C594 VanDerWaalsContact CA-SG 3.52Å; C530-C594 HydrophobicContact CB-CB 3.77Å; C530-C594 WeakPolarHBondContact CB-SG 3.48Å; C530-C594 PolarHBondContact N-SG 3.46Å; C530-C594 WeakPolarHBondContact SG-CA 3.47Å; C530-C594 WeakPolarHBondContact SG-CB 3.45Å; C530-C594 CovalentContact SG-SG 2.03Å; C530-C594 PolarHBondContact SG-SG 3.1Å; C592-C594 PolarHBondContact O-N 3.06Å; C592-C594 VanDerWaalsContact O-N 3.15Å; C594-P598 WeakPolarHBondContact O-CD 3.16Å; C594-P598 VanDerWaalsContact O-CG 3.22Å; C594-P598 WeakPolarHBondContact O-CG 3.19Å; C594-L608 WeakPolarHBondContact O-CD2 3.42Å
595	V	91.4	Very high	82.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-89.5	-51.1	178.7	176.8	0	0	0	0	110.1	I569 R573 C592 P593 L608	I569-V595 HydrophobicContact CD1-CG2 3.89Å; I569-V595 HydrophobicContact CG1-CG1 4.46Å; I569-V595 HydrophobicContact CG1-CG2 4.03Å; I569-V595 HydrophobicContact CG2-CG2 3.82Å; R573-V595 WeakPolarHBondContact CD-O 3.33Å; R573-V595 HydrophobicContact CG-CG1 3.45Å; R573-V595 VanDerWaalsContact CG-CG1 3.45Å; R573-V595 VanDerWaalsContact CG-O 3.22Å; R573-V595 WeakPolarHBondContact CG-O 3.33Å; R573-V595 VanDerWaalsContact CZ-O 3.24Å; R573-V595 PolarHBondContact NE-O 3.09Å; R573-V595 PolarHBondContact NH1-O 2.95Å; C592-V595 PolarHBondContact O-N 3.13Å; C592-V595 VanDerWaalsContact SG-CB 3.58Å; C592-V595 WeakPolarHBondContact SG-CG2 3.42Å; P593-V595 PolarHBondContact O-N 3.45Å; V595-L608 HydrophobicContact CB-CD2 4.32Å; V595-L608 HydrophobicContact CG2-CD2 3.77Å
596	V	90.3	Very high	82.6	Confident	9 Å²	9	55 Å²	55	6%	0.055	29%	0.293	C	S	.	.	H	α-helix	trans	-89.1	-30.5	-170	-70	0	0	0	0	115.4	H576 L588 N589 C592 P593	H576-V596 HydrophobicContact CB-CG1 4.15Å; L588-V596 HydrophobicContact CB-CG1 4.43Å; L588-V596 HydrophobicContact CB-CG2 4.38Å; L588-V596 HydrophobicContact CD2-CG1 3.51Å; L588-V596 HydrophobicContact CG-CG1 3.87Å; L588-V596 HydrophobicContact CG-CG2 4.21Å; N589-V596 VanDerWaalsContact OD1-CG2 3.23Å; N589-V596 WeakPolarHBondContact OD1-CG2 3.22Å; C592-V596 PolarHBondContact O-N 3.24Å; P593-V596 PolarHBondContact O-N 3.12Å
597	M	86.1	Confident	82.6	Confident	107 Å²	107	56.5 Å²	56.5	53%	0.527	30%	0.302	S	S	.	.	S	Bend	trans	-78.3	-33.5	-173.9	-59.6	-166.6	-50.3	0	0	115.5	N589 P593 E599	N589-M597 HydrophobicContact CB-CG 4.39Å; N589-M597 HydrophobicContact CB-SD 4.38Å; P593-M597 HydrophobicContact CB-CE 3.26Å; P593-M597 HydrophobicContact CB-CG 4.4Å; P593-M597 HydrophobicContact CB-SD 4.05Å; P593-M597 VanDerWaalsContact O-CB 3.29Å; P593-M597 WeakPolarHBondContact O-CB 3.5Å; P593-M597 WeakPolarHBondContact O-CG 3.4Å; P593-M597 PolarHBondContact O-N 3.42Å; M597-E599 PolarHBondContact O-N 3.37Å
598	P	87.9	Confident	82.9	Confident	22 Å²	22	55 Å²	55	14%	0.143	30%	0.295	C	S	.	.	S	Bend	trans	-61.2	138.8	-178.4	-25.5	34.1	0	0	0	112	R573 P593 C594 S602 A604 L605	R573-P598 VanDerWaalsContact CZ-O 3.27Å; R573-P598 PolarHBondContact NH1-O 3.44Å; R573-P598 PolarHBondContact NH2-O 3.24Å; P593-P598 WeakPolarHBondContact O-CD 3.36Å; C594-P598 WeakPolarHBondContact O-CD 3.16Å; C594-P598 VanDerWaalsContact O-CG 3.22Å; C594-P598 WeakPolarHBondContact O-CG 3.19Å; P598-S602 WeakPolarHBondContact CB-OG 3.41Å; P598-A604 HydrophobicContact CB-CB 4.09Å; P598-A604 HydrophobicContact CG-CB 4.28Å; P598-L605 HydrophobicContact CB-CB 4.3Å
599	E	86.4	Confident	83	Confident	141 Å²	141	57.8 Å²	57.8	66%	0.659	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.1	151.6	175.9	-70.5	-63.3	157.6	0	0	112.3	M597 N601 S602	M597-E599 PolarHBondContact O-N 3.37Å; E599-N601 PolarHBondContact O-N 3.05Å; E599-S602 WeakPolarHBondContact O-CB 3.29Å; E599-S602 PolarHBondContact O-N 2.8Å; E599-S602 VanDerWaalsContact O-N 3.12Å; E599-S602 PolarHBondContact O-OG 3.34Å
600	P	83.9	Confident	83.1	Confident	79 Å²	79	59.4 Å²	59.4	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.1	173.4	-24.4	34.2	0	0	0	111.9	S602	P600-S602 PolarHBondContact O-N 2.03Å; P600-S602 VanDerWaalsContact O-N 3.17Å
601	N	81.9	Confident	83.7	Confident	142 Å²	142	55.6 Å²	55.6	76%	0.759	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	11.6	-177.5	-49.7	-55.4	0	0	0	115.9	E599 Q606	E599-N601 PolarHBondContact O-N 3.05Å; N601-Q606 PolarHBondContact O-NE2 2.83Å
602	S	81.8	Confident	84.4	Confident	30 Å²	30	51.8 Å²	51.8	21%	0.21	28%	0.281	C	S	.	.			trans	-67.3	153.9	175.6	62.1	0	0	0	0	112.5	P598 E599 P600 A604 L605 Q606	P598-S602 WeakPolarHBondContact CB-OG 3.41Å; E599-S602 WeakPolarHBondContact O-CB 3.29Å; E599-S602 PolarHBondContact O-N 2.8Å; E599-S602 VanDerWaalsContact O-N 3.12Å; E599-S602 PolarHBondContact O-OG 3.34Å; P600-S602 PolarHBondContact O-N 2.03Å; P600-S602 VanDerWaalsContact O-N 3.17Å; S602-A604 VanDerWaalsContact C-N 3.26Å; S602-A604 PolarHBondContact O-N 3.19Å; S602-L605 WeakPolarHBondContact O-CB 3.39Å; S602-L605 PolarHBondContact O-N 3.04Å; S602-L605 VanDerWaalsContact O-N 3.12Å; S602-L605 PolarHBondContact OG-N 3.3Å; S602-Q606 PolarHBondContact O-N 3.26Å; S602-Q606 VanDerWaalsContact O-N 3.1Å
603	E	72.1	Confident	84.3	Confident	127 Å²	127	55.3 Å²	55.3	59%	0.593	29%	0.294	S	S	*	.	H	α-helix	trans	-57.6	-39.6	172.9	-177.1	177.7	-165.9	0	0	111.8	L605 Q606 I607	E603-L605 VanDerWaalsContact C-N 3.27Å; E603-L605 PolarHBondContact O-N 3.38Å; E603-Q606 PolarHBondContact O-N 2.91Å; E603-Q606 VanDerWaalsContact O-N 3.13Å; E603-I607 HydrophobicContact CG-CD1 3.98Å; E603-I607 HydrophobicContact CG-CG1 4.42Å; E603-I607 VanDerWaalsContact O-CG1 3.31Å; E603-I607 WeakPolarHBondContact O-CG1 3.44Å; E603-I607 PolarHBondContact O-N 3.39Å
604	A	74.9	Confident	84.1	Confident	56 Å²	56	55.1 Å²	55.1	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-38.7	175.9	0	0	0	0	0	112.4	P598 S602 L608	P598-A604 HydrophobicContact CB-CB 4.09Å; P598-A604 HydrophobicContact CG-CB 4.28Å; S602-A604 VanDerWaalsContact C-N 3.26Å; S602-A604 PolarHBondContact O-N 3.19Å; A604-L608 PolarHBondContact O-N 2.62Å; A604-L608 VanDerWaalsContact O-N 3.08Å
605	L	84.1	Confident	84.4	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-41.5	175.3	-171.2	55.9	0	0	0	112	T570 P598 S602 E603 I607 L608 E609	T570-L605 HydrophobicContact CG2-CD1 3.81Å; T570-L605 HydrophobicContact CG2-CG 4.38Å; P598-L605 HydrophobicContact CB-CB 4.3Å; S602-L605 WeakPolarHBondContact O-CB 3.39Å; S602-L605 PolarHBondContact O-N 3.04Å; S602-L605 VanDerWaalsContact O-N 3.12Å; S602-L605 PolarHBondContact OG-N 3.3Å; E603-L605 VanDerWaalsContact C-N 3.27Å; E603-L605 PolarHBondContact O-N 3.38Å; L605-I607 VanDerWaalsContact C-N 3.32Å; L605-I607 PolarHBondContact O-N 3.02Å; L605-L608 HydrophobicContact CD1-CD2 4.18Å; L605-L608 WeakPolarHBondContact O-CB 3.46Å; L605-L608 PolarHBondContact O-N 2.03Å; L605-E609 WeakPolarHBondContact O-CG 3.41Å; L605-E609 PolarHBondContact O-N 3Å
606	Q	79.1	Confident	84.4	Confident	106 Å²	106	55.1 Å²	55.1	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-37.4	176	-66	174.7	34.3	0	0	112.1	N601 S602 E603 E609 T610	N601-Q606 PolarHBondContact O-NE2 2.83Å; S602-Q606 PolarHBondContact O-N 3.26Å; S602-Q606 VanDerWaalsContact O-N 3.1Å; E603-Q606 PolarHBondContact O-N 2.91Å; E603-Q606 VanDerWaalsContact O-N 3.13Å; Q606-E609 PolarHBondContact O-N 2.77Å; Q606-T610 WeakPolarHBondContact O-CB 3.42Å; Q606-T610 PolarHBondContact O-N 2.7Å; Q606-T610 PolarHBondContact O-OG1 3.3Å
607	I	77.2	Confident	84.4	Confident	68 Å²	68	61.8 Å²	61.8	35%	0.349	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-47.2	173.8	-70.4	167.7	0	0	0	110	Y529 E603 L605 E609 T610 V611	Y529-I607 HydrophobicContact CD1-CG2 4.4Å; Y529-I607 HydrophobicContact CE1-CG2 3.53Å; E603-I607 HydrophobicContact CG-CD1 3.98Å; E603-I607 HydrophobicContact CG-CG1 4.42Å; E603-I607 VanDerWaalsContact O-CG1 3.31Å; E603-I607 WeakPolarHBondContact O-CG1 3.44Å; E603-I607 PolarHBondContact O-N 3.39Å; L605-I607 VanDerWaalsContact C-N 3.32Å; L605-I607 PolarHBondContact O-N 3.02Å; I607-E609 VanDerWaalsContact C-N 3.32Å; I607-E609 PolarHBondContact O-N 2.95Å; I607-T610 WeakPolarHBondContact O-CB 3.46Å; I607-T610 PolarHBondContact O-N 2.81Å; I607-T610 VanDerWaalsContact O-N 3.15Å; I607-V611 HydrophobicContact CG2-CG2 4.25Å; I607-V611 VanDerWaalsContact O-CG2 3.22Å; I607-V611 WeakPolarHBondContact O-CG2 3.34Å; I607-V611 PolarHBondContact O-N 3.11Å
608	L	86.1	Confident	84.3	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-45.4	176.8	175.6	70.5	0	0	0	111.6	L526 I569 C594 V595 A604 L605 T610 V611 N612	L526-L608 HydrophobicContact CB-CD1 4.07Å; L526-L608 HydrophobicContact CD2-CD1 4.11Å; I569-L608 HydrophobicContact CG2-CD2 4.38Å; C594-L608 WeakPolarHBondContact O-CD2 3.42Å; V595-L608 HydrophobicContact CB-CD2 4.32Å; V595-L608 HydrophobicContact CG2-CD2 3.77Å; A604-L608 PolarHBondContact O-N 2.62Å; A604-L608 VanDerWaalsContact O-N 3.08Å; L605-L608 HydrophobicContact CD1-CD2 4.18Å; L605-L608 WeakPolarHBondContact O-CB 3.46Å; L605-L608 PolarHBondContact O-N 2.03Å; L608-T610 VanDerWaalsContact C-N 3.34Å; L608-V611 PolarHBondContact O-N 3.35Å; L608-N612 WeakPolarHBondContact O-CB 3.18Å; L608-N612 PolarHBondContact O-N 3.4Å
609	E	85.9	Confident	84.5	Confident	62 Å²	62	57 Å²	57	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-44.9	175.5	-70.7	178.1	165.8	0	0	111.3	Y568 T570 L605 Q606 I607 V611 N612 R613	Y568-E609 HydrophobicContact CE2-CG 4.26Å; Y568-E609 VanDerWaalsContact OH-CD 3.27Å; Y568-E609 WeakPolarHBondContact OH-CG 3.36Å; Y568-E609 PolarHBondContact OH-OE1 2.92Å; Y568-E609 VanDerWaalsContact OH-OE1 3.07Å; T570-E609 HydrophobicContact CG2-CG 4.31Å; T570-E609 WeakPolarHBondContact OG1-CG 3.46Å; L605-E609 WeakPolarHBondContact O-CG 3.41Å; L605-E609 PolarHBondContact O-N 3Å; Q606-E609 PolarHBondContact O-N 2.77Å; I607-E609 VanDerWaalsContact C-N 3.32Å; I607-E609 PolarHBondContact O-N 2.95Å; E609-V611 VanDerWaalsContact C-N 3.33Å; E609-V611 PolarHBondContact O-N 3.29Å; E609-N612 PolarHBondContact O-N 3.28Å; E609-R613 VanDerWaalsContact O-CG 3.32Å; E609-R613 WeakPolarHBondContact O-CG 3.05Å; E609-R613 PolarHBondContact O-N 3.19Å
610	T	81.1	Confident	84.5	Confident	96 Å²	96	53.1 Å²	53.1	59%	0.589	28%	0.277	S	S	*	.	H	α-helix	trans	-59.8	-43.5	177.8	-61.3	0	0	0	0	111.6	Q606 I607 L608 R613 G614	Q606-T610 WeakPolarHBondContact O-CB 3.42Å; Q606-T610 PolarHBondContact O-N 2.7Å; Q606-T610 PolarHBondContact O-OG1 3.3Å; I607-T610 WeakPolarHBondContact O-CB 3.46Å; I607-T610 PolarHBondContact O-N 2.81Å; I607-T610 VanDerWaalsContact O-N 3.15Å; L608-T610 VanDerWaalsContact C-N 3.34Å; T610-R613 PolarHBondContact O-N 2.76Å; T610-G614 PolarHBondContact O-N 3.45Å
611	V	84.3	Confident	84.6	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-45.2	178.8	173.9	0	0	0	0	111.1	L526 Y529 I607 L608 E609 R613 G614 Y615	L526-V611 HydrophobicContact CD2-CG1 4.05Å; Y529-V611 HydrophobicContact CD1-CG2 4.25Å; Y529-V611 HydrophobicContact CD2-CB 4.42Å; Y529-V611 HydrophobicContact CD2-CG1 3.72Å; Y529-V611 HydrophobicContact CD2-CG2 4.07Å; Y529-V611 HydrophobicContact CE1-CG2 3.73Å; Y529-V611 HydrophobicContact CE2-CB 4.27Å; Y529-V611 HydrophobicContact CE2-CG1 3.8Å; Y529-V611 HydrophobicContact CE2-CG2 3.5Å; Y529-V611 HydrophobicContact CG-CG1 4.3Å; Y529-V611 HydrophobicContact CG-CG2 4.4Å; Y529-V611 WeakPolarHBondContact OH-CG2 3.42Å; I607-V611 HydrophobicContact CG2-CG2 4.25Å; I607-V611 VanDerWaalsContact O-CG2 3.22Å; I607-V611 WeakPolarHBondContact O-CG2 3.34Å; I607-V611 PolarHBondContact O-N 3.11Å; L608-V611 PolarHBondContact O-N 3.35Å; E609-V611 VanDerWaalsContact C-N 3.33Å; E609-V611 PolarHBondContact O-N 3.29Å; V611-R613 VanDerWaalsContact C-N 3.33Å; V611-R613 PolarHBondContact O-N 2.97Å; V611-G614 CarbonylContact O-C 3.48Å; V611-G614 WeakPolarHBondContact O-CA 3.45Å; V611-G614 PolarHBondContact O-N 3.33Å; V611-Y615 HydrophobicContact CG1-CD1 4.21Å; V611-Y615 HydrophobicContact CG1-CE1 3.7Å; V611-Y615 WeakPolarHBondContact O-CD1 3.47Å; V611-Y615 PolarHBondContact O-N 3.39Å
612	N	94.5	Very high	84.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-46.1	175.9	-177.3	-98.9	0	0	0	111.5	L526 L567 Y568 L608 E609 G614 Y615 Q616	L526-N612 HydrophobicContact CD1-CB 4.3Å; L526-N612 WeakPolarHBondContact CD1-ND2 3.04Å; L526-N612 HydrophobicContact CD2-CB 3.77Å; L567-N612 PolarHBondContact O-ND2 2.97Å; Y568-N612 WeakPolarHBondContact CA-OD1 3.24Å; Y568-N612 VanDerWaalsContact CD2-OD1 3.29Å; Y568-N612 WeakPolarHBondContact CD2-OD1 3.43Å; L608-N612 WeakPolarHBondContact O-CB 3.18Å; L608-N612 PolarHBondContact O-N 3.4Å; E609-N612 PolarHBondContact O-N 3.28Å; N612-G614 VanDerWaalsContact C-N 3.3Å; N612-G614 PolarHBondContact O-N 3.15Å; N612-Y615 PolarHBondContact O-N 2.83Å; N612-Q616 WeakPolarHBondContact O-CG 3.38Å; N612-Q616 PolarHBondContact O-N 3.47Å; N612-Q616 VanDerWaalsContact O-N 3.17Å
613	R	88.7	Confident	85.4	Confident	73 Å²	73	47.8 Å²	47.8	28%	0.275	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-33.7	173.6	-64.9	-49.1	-173.7	169	3.3	112.5	E609 T610 V611 Q616 R617 R643 D644	E609-R613 VanDerWaalsContact O-CG 3.32Å; E609-R613 WeakPolarHBondContact O-CG 3.05Å; E609-R613 PolarHBondContact O-N 3.19Å; T610-R613 PolarHBondContact O-N 2.76Å; V611-R613 VanDerWaalsContact C-N 3.33Å; V611-R613 PolarHBondContact O-N 2.97Å; R613-Q616 PolarHBondContact O-N 2.92Å; R613-R617 VanDerWaalsContact O-CB 3.24Å; R613-R617 WeakPolarHBondContact O-CB 3.41Å; R613-R617 PolarHBondContact O-N 2.92Å; R613-R643 PolarHBondContact NH1-O 3.47Å; R613-D644 IonicContact CZ-OD1 3.95Å; R613-D644 VanDerWaalsContact CZ-OD1 3.26Å; R613-D644 IonicContact NH1-OD1 3.76Å; R613-D644 PolarHBondContact NH1-OD1 3.27Å; R613-D644 IonicContact NH2-OD1 2.81Å; R613-D644 PolarHBondContact NH2-OD1 3.33Å
614	G	80.6	Confident	85.9	Confident	6 Å²	6	42.9 Å²	42.9	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-44.6	173.8	0	0	0	0	0	112.4	V538 T610 V611 N612 S618	V538-G614 VanDerWaalsContact CG1-O 3.3Å; V538-G614 WeakPolarHBondContact CG1-O 3.07Å; T610-G614 PolarHBondContact O-N 3.45Å; V611-G614 CarbonylContact O-C 3.48Å; V611-G614 WeakPolarHBondContact O-CA 3.45Å; V611-G614 PolarHBondContact O-N 3.33Å; N612-G614 VanDerWaalsContact C-N 3.3Å; N612-G614 PolarHBondContact O-N 3.15Å; G614-S618 VanDerWaalsContact O-CB 3.25Å; G614-S618 WeakPolarHBondContact O-CB 3.22Å; G614-S618 PolarHBondContact O-N 2.96Å; G614-S618 PolarHBondContact O-OG 3.04Å
615	Y	94	Very high	86.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-51.9	174.7	-72.7	5.9	0	0	0	111.5	D525 L526 Y536 V538 Y541 P566 V611 N612 R617 S618 L619	D525-Y615 HydrophobicContact CB-CE2 3.86Å; L526-Y615 HydrophobicContact CD2-CD2 4.22Å; L526-Y615 HydrophobicContact CD2-CE2 4Å; L526-Y615 HydrophobicContact CG-CD2 4.32Å; L526-Y615 HydrophobicContact CG-CE2 4Å; Y536-Y615 VanDerWaalsContact C-OH 3.3Å; Y536-Y615 PolarHBondContact O-OH 3Å; V538-Y615 HydrophobicContact CB-CD1 4.23Å; V538-Y615 HydrophobicContact CB-CE1 4.46Å; V538-Y615 HydrophobicContact CG1-CD1 4.4Å; V538-Y615 HydrophobicContact CG2-CD1 3.95Å; V538-Y615 HydrophobicContact CG2-CE1 4.19Å; Y541-Y615 VanDerWaalsContact CB-CE1 3.47Å; Y541-Y615 AromaticContact CD1-CD1 3.66Å; Y541-Y615 HydrophobicContact CD1-CD1 3.66Å; Y541-Y615 AromaticContact CD1-CD2 3.77Å; Y541-Y615 HydrophobicContact CD1-CD2 3.77Å; Y541-Y615 HydrophobicContact CD1-CE1 4.16Å; Y541-Y615 HydrophobicContact CD1-CE2 4.23Å; Y541-Y615 AromaticContact CD1-CG 3.45Å; Y541-Y615 HydrophobicContact CD1-CG 3.45Å; Y541-Y615 VanDerWaalsContact CD1-CG 3.45Å; Y541-Y615 AromaticContact CD2-CD2 3.69Å; Y541-Y615 HydrophobicContact CD2-CD2 3.69Å; Y541-Y615 HydrophobicContact CD2-CE1 4.37Å; Y541-Y615 AromaticContact CD2-CE2 3.48Å; Y541-Y615 HydrophobicContact CD2-CE2 3.48Å; Y541-Y615 VanDerWaalsContact CD2-CE2 3.48Å; Y541-Y615 HydrophobicContact CD2-CG 4.21Å; Y541-Y615 AromaticContact CD2-CZ 3.84Å; Y541-Y615 HydrophobicContact CE1-CD1 4.38Å; Y541-Y615 AromaticContact CE1-CD2 3.83Å; Y541-Y615 HydrophobicContact CE1-CD2 3.83Å; Y541-Y615 AromaticContact CE1-CG 3.7Å; Y541-Y615 HydrophobicContact CE1-CG 3.7Å; Y541-Y615 AromaticContact CE2-CD2 3.79Å; Y541-Y615 HydrophobicContact CE2-CD2 3.79Å; Y541-Y615 AromaticContact CE2-CE2 3.92Å; Y541-Y615 HydrophobicContact CE2-CE2 3.92Å; Y541-Y615 HydrophobicContact CE2-CG 4.46Å; Y541-Y615 AromaticContact CG-CD1 3.76Å; Y541-Y615 HydrophobicContact CG-CD1 3.76Å; Y541-Y615 AromaticContact CG-CD2 3.71Å; Y541-Y615 HydrophobicContact CG-CD2 3.71Å; Y541-Y615 AromaticContact CG-CE1 3.76Å; Y541-Y615 HydrophobicContact CG-CE1 3.76Å; Y541-Y615 AromaticContact CG-CE2 3.68Å; Y541-Y615 HydrophobicContact CG-CE2 3.68Å; Y541-Y615 AromaticContact CG-CG 3.73Å; Y541-Y615 HydrophobicContact CG-CG 3.73Å; Y541-Y615 AromaticContact CG-CZ 3.7Å; Y541-Y615 AromaticContact CZ-CD2 3.86Å; P566-Y615 HydrophobicContact CG-CD2 4.33Å; V611-Y615 HydrophobicContact CG1-CD1 4.21Å; V611-Y615 HydrophobicContact CG1-CE1 3.7Å; V611-Y615 WeakPolarHBondContact O-CD1 3.47Å; V611-Y615 PolarHBondContact O-N 3.39Å; N612-Y615 PolarHBondContact O-N 2.83Å; Y615-R617 PolarHBondContact O-N 3.4Å; Y615-S618 PolarHBondContact O-N 3.28Å; Y615-L619 WeakPolarHBondContact O-CB 3.49Å; Y615-L619 WeakPolarHBondContact O-CG 3.46Å; Y615-L619 PolarHBondContact O-N 3.49Å
616	Q	92.1	Very high	86.6	Confident	5 Å²	5	43.4 Å²	43.4	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-49.5	180	-67.5	173.9	-20.1	0	0	111.1	E565 P566 N612 R613 H620 R643	E565-Q616 HydrophobicContact CB-CG 4.47Å; P566-Q616 HydrophobicContact CG-CG 4.08Å; P566-Q616 PolarHBondContact O-NE2 3.48Å; N612-Q616 WeakPolarHBondContact O-CG 3.38Å; N612-Q616 PolarHBondContact O-N 3.47Å; N612-Q616 VanDerWaalsContact O-N 3.17Å; R613-Q616 PolarHBondContact O-N 2.92Å; Q616-H620 WeakPolarHBondContact O-CB 3.42Å; Q616-H620 PolarHBondContact O-N 2.83Å; Q616-H620 VanDerWaalsContact O-N 3.11Å; Q616-R643 PolarHBondContact NE2-O 2.97Å
617	R	88.8	Confident	87.2	Confident	149 Å²	149	43 Å²	43	56%	0.562	21%	0.213	S	C	*	.	H	α-helix	trans	-61.9	-48.5	179.9	-172.9	-170	-51	146.4	7.8	112.4	R613 Y615 L619 H620 E621	R613-R617 VanDerWaalsContact O-CB 3.24Å; R613-R617 WeakPolarHBondContact O-CB 3.41Å; R613-R617 PolarHBondContact O-N 2.92Å; Y615-R617 PolarHBondContact O-N 3.4Å; R617-L619 PolarHBondContact O-N 2.75Å; R617-H620 WeakPolarHBondContact O-CA 3.35Å; R617-H620 WeakPolarHBondContact O-CB 3.41Å; R617-H620 PolarHBondContact O-N 2.91Å; R617-H620 VanDerWaalsContact O-N 3.14Å; R617-E621 WeakPolarHBondContact CG-OE1 3.49Å; R617-E621 WeakPolarHBondContact O-CG 3.28Å; R617-E621 PolarHBondContact O-N 2.91Å
618	S	84.8	Confident	88	Confident	28 Å²	28	39.9 Å²	39.9	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-74.2	-28.9	-172.6	-54.3	0	0	0	0	112.5	V538 G614 Y615 L622	V538-S618 WeakPolarHBondContact CG1-OG 3.04Å; G614-S618 VanDerWaalsContact O-CB 3.25Å; G614-S618 WeakPolarHBondContact O-CB 3.22Å; G614-S618 PolarHBondContact O-N 2.96Å; G614-S618 PolarHBondContact O-OG 3.04Å; Y615-S618 PolarHBondContact O-N 3.28Å; S618-L622 WeakPolarHBondContact O-CB 3.36Å; S618-L622 PolarHBondContact O-N 3.4Å
619	L	92.1	Very high	88.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-42.8	166.6	-72.6	-175.6	0	0	0	111.7	Y541 V542 L545 L563 Y615 R617 L622 I623 I638	Y541-L619 HydrophobicContact CE1-CD1 3.58Å; Y541-L619 HydrophobicContact CE1-CD2 4.14Å; Y541-L619 HydrophobicContact CE1-CG 3.78Å; V542-L619 HydrophobicContact CG2-CD2 4.25Å; L545-L619 HydrophobicContact CB-CD2 4.16Å; L545-L619 HydrophobicContact CD1-CD1 3.88Å; L545-L619 HydrophobicContact CD1-CD2 3.6Å; L545-L619 HydrophobicContact CD1-CG 4.34Å; L563-L619 HydrophobicContact CD2-CD2 4.33Å; Y615-L619 WeakPolarHBondContact O-CB 3.49Å; Y615-L619 WeakPolarHBondContact O-CG 3.46Å; Y615-L619 PolarHBondContact O-N 3.49Å; R617-L619 PolarHBondContact O-N 2.75Å; L619-L622 WeakPolarHBondContact O-CB 3.45Å; L619-L622 PolarHBondContact O-N 2.69Å; L619-I623 WeakPolarHBondContact O-CG1 3.43Å; L619-I623 PolarHBondContact O-N 2.66Å; L619-I623 VanDerWaalsContact O-N 3.14Å; L619-I638 HydrophobicContact CB-CD1 4.31Å
620	H	87.2	Confident	88.5	Confident	60 Å²	60	42.6 Å²	42.6	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-48.5	175.6	-171.2	62.9	0	0	0	111.3	Q616 R617 L622 I623 E624 I638	Q616-H620 WeakPolarHBondContact O-CB 3.42Å; Q616-H620 PolarHBondContact O-N 2.83Å; Q616-H620 VanDerWaalsContact O-N 3.11Å; R617-H620 WeakPolarHBondContact O-CA 3.35Å; R617-H620 WeakPolarHBondContact O-CB 3.41Å; R617-H620 PolarHBondContact O-N 2.91Å; R617-H620 VanDerWaalsContact O-N 3.14Å; H620-L622 VanDerWaalsContact C-N 3.33Å; H620-L622 PolarHBondContact O-N 3.34Å; H620-I623 PolarHBondContact O-N 3.18Å; H620-I623 VanDerWaalsContact O-N 3.17Å; H620-E624 IonicContact CE1-OE1 2.74Å; H620-E624 WeakPolarHBondContact O-CB 3.24Å; H620-E624 VanDerWaalsContact O-CG 3.32Å; H620-E624 WeakPolarHBondContact O-CG 3.28Å; H620-E624 PolarHBondContact O-N 2.8Å; H620-I638 VanDerWaalsContact CA-CD1 3.49Å; H620-I638 HydrophobicContact CB-CD1 3.9Å
621	E	84.9	Confident	89.1	Confident	114 Å²	114	40.9 Å²	40.9	53%	0.533	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-39.4	175.7	-71.3	172.7	-171.8	0	0	113.1	R617 I623 E624 S625	R617-E621 WeakPolarHBondContact CG-OE1 3.49Å; R617-E621 WeakPolarHBondContact O-CG 3.28Å; R617-E621 PolarHBondContact O-N 2.91Å; E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 PolarHBondContact O-N 3.32Å; E621-E624 PolarHBondContact O-N 3.21Å; E621-S625 PolarHBondContact O-N 2.71Å; E621-S625 VanDerWaalsContact O-N 3.09Å
622	L	87.9	Confident	89.6	Confident	20 Å²	20	43.8 Å²	43.8	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-43.3	175.9	175.2	63.3	0	0	0	111.4	V542 K546 L549 S618 L619 H620 S625 Y628	V542-L622 HydrophobicContact CG1-CB 4.39Å; V542-L622 HydrophobicContact CG1-CD2 4.06Å; K546-L622 HydrophobicContact CB-CD1 4.43Å; K546-L622 HydrophobicContact CB-CD2 3.95Å; K546-L622 HydrophobicContact CD-CD1 4.16Å; K546-L622 HydrophobicContact CG-CD1 4.16Å; K546-L622 HydrophobicContact CG-CD2 4.5Å; L549-L622 HydrophobicContact CD1-CD2 4.28Å; S618-L622 WeakPolarHBondContact O-CB 3.36Å; S618-L622 PolarHBondContact O-N 3.4Å; L619-L622 WeakPolarHBondContact O-CB 3.45Å; L619-L622 PolarHBondContact O-N 2.69Å; H620-L622 VanDerWaalsContact C-N 3.33Å; H620-L622 PolarHBondContact O-N 3.34Å; L622-S625 WeakPolarHBondContact O-CB 3.44Å; L622-S625 PolarHBondContact O-OG 3.11Å; L622-Y628 HydrophobicContact CD1-CE2 4.43Å; L622-Y628 HydrophobicContact CD2-CE2 4.44Å; L622-Y628 HydrophobicContact CG-CE2 4.16Å
623	I	92.3	Very high	89.7	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-42.8	179.6	-56.9	-48.6	0	0	0	111.3	L549 L563 L619 H620 E621 S625 G626 Y628 V636 I638	L549-I623 HydrophobicContact CD1-CD1 4.26Å; L563-I623 HydrophobicContact CD2-CD1 3.95Å; L563-I623 HydrophobicContact CD2-CG1 3.99Å; L619-I623 WeakPolarHBondContact O-CG1 3.43Å; L619-I623 PolarHBondContact O-N 2.66Å; L619-I623 VanDerWaalsContact O-N 3.14Å; H620-I623 PolarHBondContact O-N 3.18Å; H620-I623 VanDerWaalsContact O-N 3.17Å; E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 PolarHBondContact O-N 3.32Å; I623-S625 PolarHBondContact O-N 3.21Å; I623-G626 PolarHBondContact O-N 2.69Å; I623-Y628 HydrophobicContact CD1-CD2 3.64Å; I623-Y628 HydrophobicContact CD1-CE2 3.68Å; I623-V636 HydrophobicContact CD1-CB 3.97Å; I623-V636 HydrophobicContact CD1-CG1 3.53Å; I623-V636 HydrophobicContact CG1-CG1 4.38Å; I623-V636 WeakPolarHBondContact CG2-O 3.45Å; I623-I638 HydrophobicContact CG1-CB 4.47Å
624	E	84.5	Confident	90.1	Very high	24 Å²	24	42.2 Å²	42.2	11%	0.112	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-15.6	177.2	-71.6	-68.4	130	0	0	113.3	H620 E621 G626 Y720 Y722	H620-E624 IonicContact CE1-OE1 2.74Å; H620-E624 WeakPolarHBondContact O-CB 3.24Å; H620-E624 VanDerWaalsContact O-CG 3.32Å; H620-E624 WeakPolarHBondContact O-CG 3.28Å; H620-E624 PolarHBondContact O-N 2.8Å; E621-E624 PolarHBondContact O-N 3.21Å; E624-G626 PolarHBondContact O-N 2.88Å; E624-Y720 VanDerWaalsContact CD-OH 3.3Å; E624-Y720 WeakPolarHBondContact OE1-CE1 3.43Å; E624-Y720 PolarHBondContact OE1-OH 3.24Å; E624-Y720 WeakPolarHBondContact OE2-CE1 3.43Å; E624-Y720 PolarHBondContact OE2-OH 3.28Å; E624-Y722 HydrophobicContact CB-CD1 4.36Å; E624-Y722 WeakPolarHBondContact O-CB 3.41Å; E624-Y722 WeakPolarHBondContact O-CD1 3.35Å; E624-Y722 WeakPolarHBondContact OE2-CD1 3.44Å
625	S	85.1	Confident	90.9	Very high	66 Å²	66	42 Å²	42	46%	0.462	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.4	171.1	77.2	0	0	0	0	114.2	E621 L622 I623 R627	E621-S625 PolarHBondContact O-N 2.71Å; E621-S625 VanDerWaalsContact O-N 3.09Å; L622-S625 WeakPolarHBondContact O-CB 3.44Å; L622-S625 PolarHBondContact O-OG 3.11Å; I623-S625 PolarHBondContact O-N 3.21Å; S625-R627 PolarHBondContact O-N 3.28Å; S625-R627 WeakPolarHBondContact OG-CB 3.34Å; S625-R627 PolarHBondContact OG-N 3.27Å
626	G	87.4	Confident	91.2	Very high	17 Å²	17	42 Å²	42	18%	0.175	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	10.3	-176.5	0	0	0	0	0	114.2	I623 E624 Y628 D629	I623-G626 PolarHBondContact O-N 2.69Å; E624-G626 PolarHBondContact O-N 2.88Å; G626-Y628 PolarHBondContact O-N 3.21Å; G626-D629 PolarHBondContact O-N 3.13Å; G626-D629 VanDerWaalsContact O-N 3.15Å
627	R	91.3	Very high	91.4	Very high	97 Å²	97	41.9 Å²	41.9	37%	0.366	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.9	-175.5	179.9	178.2	-175.9	85.1	0	113.7	D550 Q553 S625	D550-R627 IonicContact OD1-CZ 3.64Å; D550-R627 VanDerWaalsContact OD1-CZ 3.29Å; D550-R627 IonicContact OD1-NE 2.75Å; D550-R627 PolarHBondContact OD1-NE 3.42Å; D550-R627 IonicContact OD1-NH2 2.74Å; D550-R627 PolarHBondContact OD1-NH2 2.66Å; D550-R627 IonicContact OD2-CZ 2.74Å; D550-R627 IonicContact OD2-NE 3.74Å; D550-R627 IonicContact OD2-NH2 3.29Å; D550-R627 PolarHBondContact OD2-NH2 3.37Å; Q553-R627 PolarHBondContact NE2-O 3.18Å; S625-R627 PolarHBondContact O-N 3.28Å; S625-R627 WeakPolarHBondContact OG-CB 3.34Å; S625-R627 PolarHBondContact OG-N 3.27Å
628	Y	95.3	Very high	91.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.8	-174.3	-54.6	-65.3	0	0	0	113.9	L549 D550 Q553 L622 I623 G626 F634 V636	L549-Y628 HydrophobicContact CB-CD1 4.39Å; L549-Y628 HydrophobicContact CB-CE1 3.6Å; L549-Y628 HydrophobicContact CB-CE2 4.09Å; L549-Y628 VanDerWaalsContact CB-CZ 3.41Å; L549-Y628 WeakPolarHBondContact CB-OH 3.44Å; L549-Y628 HydrophobicContact CD1-CE2 3.75Å; D550-Y628 WeakPolarHBondContact OD1-CE1 3.3Å; Q553-Y628 HydrophobicContact CB-CD1 4.45Å; L622-Y628 HydrophobicContact CD1-CE2 4.43Å; L622-Y628 HydrophobicContact CD2-CE2 4.44Å; L622-Y628 HydrophobicContact CG-CE2 4.16Å; I623-Y628 HydrophobicContact CD1-CD2 3.64Å; I623-Y628 HydrophobicContact CD1-CE2 3.68Å; G626-Y628 PolarHBondContact O-N 3.21Å; Y628-F634 HydrophobicContact CD1-CE1 4.33Å; Y628-V636 HydrophobicContact CD1-CG2 4.11Å; Y628-V636 HydrophobicContact CD2-CB 3.9Å; Y628-V636 HydrophobicContact CD2-CG2 3.71Å; Y628-V636 HydrophobicContact CE2-CG2 4.45Å; Y628-V636 HydrophobicContact CG-CB 4.08Å; Y628-V636 HydrophobicContact CG-CG2 3.51Å
629	D	92.3	Very high	92.4	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.091	19%	0.185	C	C	.	.			trans	-111.7	24	-176.9	-69.8	-49.6	0	0	0	112.9	G626 T635 Y715 Y722	G626-D629 PolarHBondContact O-N 3.13Å; G626-D629 VanDerWaalsContact O-N 3.15Å; D629-T635 WeakPolarHBondContact OD1-CB 3.43Å; D629-T635 PolarHBondContact OD1-OG1 2.74Å; D629-Y715 HydrophobicContact CB-CD1 3.87Å; D629-Y715 HydrophobicContact CB-CE1 3.32Å; D629-Y715 PolarHBondContact O-OH 2.91Å; D629-Y715 WeakPolarHBondContact OD1-CD1 3.16Å; D629-Y715 WeakPolarHBondContact OD1-CE1 3.22Å; D629-Y722 HydrophobicContact CB-CE2 4.38Å; D629-Y722 WeakPolarHBondContact OD2-CE2 3.48Å; D629-Y722 PolarHBondContact OD2-OH 3.4Å
630	T	89.7	Confident	92.6	Very high	107 Å²	107	34.4 Å²	34.4	66%	0.656	19%	0.187	S	C	*	.	S	Bend	trans	-84.6	-13.3	-177.5	56.5	0	0	0	0	113.7	Q553	Q553-T630 PolarHBondContact NE2-OG1 3.01Å
631	Q	92.5	Very high	93	Very high	59 Å²	59	31.6 Å²	31.6	28%	0.276	17%	0.174	S	C	.	.	S	Bend	trans	-130.4	150.5	179.9	63.9	-168.8	75.8	0	0	110.4	D633 F634	Q631-D633 VanDerWaalsContact C-N 3.31Å; Q631-D633 WeakPolarHBondContact CG-OD1 3.33Å; Q631-D633 PolarHBondContact NE2-OD1 3.16Å; Q631-D633 PolarHBondContact O-N 2.99Å; Q631-F634 HydrophobicContact CG-CB 3.59Å
632	S	95.3	Very high	93.4	Very high	70 Å²	70	26.3 Å²	26.3	49%	0.49	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.6	-174.3	57.5	0	0	0	0	113.8	S393 V394	S393-S632 CarbonylContact C-O 3.45Å; S393-S632 WeakPolarHBondContact CA-O 3.4Å; S393-S632 PolarHBondContact OG-O 2.99Å; V394-S632 PolarHBondContact N-O 3.2Å
633	D	96.6	Very high	93.6	Very high	40 Å²	40	28.1 Å²	28.1	21%	0.214	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.5	-172.8	72.7	-30.5	0	0	0	114.2	W514 R558 A559 Q631	W514-D633 HydrophobicContact CH2-CB 4.22Å; W514-D633 WeakPolarHBondContact CZ3-O 3.39Å; R558-D633 CarbonylContact C-O 3.46Å; R558-D633 WeakPolarHBondContact CA-O 3.49Å; R558-D633 HydrophobicContact CG-CB 4.34Å; R558-D633 PolarHBondContact N-O 2.88Å; A559-D633 PolarHBondContact N-O 3.2Å; Q631-D633 VanDerWaalsContact C-N 3.31Å; Q631-D633 WeakPolarHBondContact CG-OD1 3.33Å; Q631-D633 PolarHBondContact NE2-OD1 3.16Å; Q631-D633 PolarHBondContact O-N 2.99Å
634	F	98.2	Very high	93.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	140.8	177.9	-173	-86.2	0	0	0	110	L552 Q553 A559 V561 Y628 Q631 V636	L552-F634 HydrophobicContact CB-CE2 3.97Å; L552-F634 HydrophobicContact CB-CZ 3.88Å; Q553-F634 VanDerWaalsContact CA-CZ 3.5Å; Q553-F634 HydrophobicContact CB-CD1 3.91Å; Q553-F634 HydrophobicContact CB-CE1 3.57Å; Q553-F634 HydrophobicContact CB-CE2 4.38Å; Q553-F634 HydrophobicContact CB-CG 4.44Å; Q553-F634 HydrophobicContact CB-CZ 3.85Å; Q553-F634 HydrophobicContact CG-CD1 3.77Å; Q553-F634 HydrophobicContact CG-CE1 3.94Å; Q553-F634 HydrophobicContact CG-CG 4.27Å; A559-F634 HydrophobicContact CB-CD2 3.77Å; A559-F634 HydrophobicContact CB-CE2 3.93Å; A559-F634 VanDerWaalsContact O-CA 3.31Å; A559-F634 WeakPolarHBondContact O-CA 3.08Å; V561-F634 HydrophobicContact CG2-CE2 3.99Å; V561-F634 HydrophobicContact CG2-CZ 3.78Å; Y628-F634 HydrophobicContact CD1-CE1 4.33Å; Q631-F634 HydrophobicContact CG-CB 3.59Å; F634-V636 HydrophobicContact CE1-CG2 3.68Å; F634-V636 HydrophobicContact CZ-CG2 4.13Å
635	T	97.8	Very high	93.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.2	168.6	-173.6	0	0	0	0	110	V394 A559 L560 V561 D629 V637 T714	V394-T635 HydrophobicContact CB-CG2 4.22Å; V394-T635 HydrophobicContact CG1-CG2 3.6Å; V394-T635 HydrophobicContact CG2-CG2 3.56Å; A559-T635 PolarHBondContact O-N 3.28Å; L560-T635 HydrophobicContact CG-CG2 4.18Å; V561-T635 PolarHBondContact N-O 3.15Å; D629-T635 WeakPolarHBondContact OD1-CB 3.43Å; D629-T635 PolarHBondContact OD1-OG1 2.74Å; T635-V637 HydrophobicContact CG2-CG2 4.1Å; T635-T714 HydrophobicContact CG2-CG2 3.89Å
636	V	98.3	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.7	171.7	-176.8	0	0	0	0	107.7	L549 V561 L563 I623 Y628 F634	L549-V636 HydrophobicContact CD1-CG1 4.28Å; L549-V636 HydrophobicContact CD2-CG1 3.98Å; L549-V636 HydrophobicContact CD2-CG2 3.87Å; V561-V636 HydrophobicContact CB-CB 4.38Å; V561-V636 HydrophobicContact CB-CG1 4.26Å; V561-V636 HydrophobicContact CB-CG2 4.02Å; V561-V636 HydrophobicContact CG1-CG1 4.2Å; V561-V636 HydrophobicContact CG1-CG2 4.48Å; V561-V636 HydrophobicContact CG2-CG2 4.41Å; V561-V636 WeakPolarHBondContact O-CA 3.27Å; L563-V636 HydrophobicContact CB-CG1 3.87Å; L563-V636 HydrophobicContact CD2-CG1 4.35Å; I623-V636 HydrophobicContact CD1-CB 3.97Å; I623-V636 HydrophobicContact CD1-CG1 3.53Å; I623-V636 HydrophobicContact CG1-CG1 4.38Å; I623-V636 WeakPolarHBondContact CG2-O 3.45Å; Y628-V636 HydrophobicContact CD1-CG2 4.11Å; Y628-V636 HydrophobicContact CD2-CB 3.9Å; Y628-V636 HydrophobicContact CD2-CG2 3.71Å; Y628-V636 HydrophobicContact CE2-CG2 4.45Å; Y628-V636 HydrophobicContact CG-CB 4.08Å; Y628-V636 HydrophobicContact CG-CG2 3.51Å; F634-V636 HydrophobicContact CE1-CG2 3.68Å; F634-V636 HydrophobicContact CZ-CG2 4.13Å
637	V	97.8	Very high	93.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124	-179.8	-175.5	0	0	0	0	108.9	V561 L563 T635 L687 T714	V561-V637 PolarHBondContact O-N 2.96Å; L563-V637 PolarHBondContact N-O 3.11Å; T635-V637 HydrophobicContact CG2-CG2 4.1Å; V637-L687 HydrophobicContact CG1-CD1 4.27Å; V637-T714 HydrophobicContact CG2-CG2 4.37Å
638	I	96.5	Very high	93.3	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.062	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136	175	-157.4	162.8	0	0	0	110.7	L563 E565 L619 H620 I623 P640 K690	L563-I638 CarbonylContact O-C 3.15Å; L563-I638 WeakPolarHBondContact O-CA 3.1Å; E565-I638 HydrophobicContact CG-CD1 3.82Å; E565-I638 HydrophobicContact CG-CG1 3.84Å; E565-I638 WeakPolarHBondContact OE1-CD1 3.46Å; L619-I638 HydrophobicContact CB-CD1 4.31Å; H620-I638 VanDerWaalsContact CA-CD1 3.49Å; H620-I638 HydrophobicContact CB-CD1 3.9Å; I623-I638 HydrophobicContact CG1-CB 4.47Å; I638-P640 WeakPolarHBondContact O-CD 3.35Å; I638-K690 WeakPolarHBondContact O-CD 3.3Å
639	Q	97.6	Very high	93	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	91.1	179.9	-53.5	-66	-4.9	0	0	109.5	N562 L563 V564 E565 F641 L679 N682	N562-Q639 HydrophobicContact CB-CG 4.19Å; N562-Q639 PolarHBondContact OD1-NE2 3.48Å; L563-Q639 PolarHBondContact O-N 3.24Å; V564-Q639 HydrophobicContact CG2-CB 4.18Å; E565-Q639 PolarHBondContact N-O 2.6Å; Q639-F641 VanDerWaalsContact C-N 3.34Å; Q639-F641 HydrophobicContact CB-CD1 4.16Å; Q639-F641 HydrophobicContact CB-CE1 4.23Å; Q639-F641 PolarHBondContact O-N 2.61Å; Q639-L679 HydrophobicContact CB-CD1 4.08Å; Q639-L679 HydrophobicContact CG-CD1 3.72Å; Q639-N682 WeakPolarHBondContact CA-OD1 3.42Å; Q639-N682 PolarHBondContact OE1-O 2.87Å; Q639-N682 PolarHBondContact OE1-OD1 3.01Å
640	P	96.4	Very high	92.8	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.039	17%	0.174	C	C	.	.			trans	-85.8	10	-168.4	33.8	-39.6	0	0	0	115.2	I638 L642 R643 N682 K690 S692	I638-P640 WeakPolarHBondContact O-CD 3.35Å; P640-L642 PolarHBondContact O-N 3.1Å; P640-R643 HydrophobicContact CB-CB 4.41Å; P640-R643 WeakPolarHBondContact O-CB 3.47Å; P640-R643 PolarHBondContact O-N 3.31Å; P640-N682 WeakPolarHBondContact CD-OD1 3.21Å; P640-K690 HydrophobicContact CG-CB 4.03Å; P640-S692 CarbonylContact O-C 3.45Å; P640-S692 VanDerWaalsContact O-CA 3.25Å; P640-S692 WeakPolarHBondContact O-CA 3Å
641	F	94.8	Very high	92.7	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.6	-172.1	70.7	-87.5	0	0	0	115.2	W437 V564 Q639 M675 L679 N682 T691 Q694	W437-F641 AromaticContact CH2-CZ 3.93Å; W437-F641 HydrophobicContact CH2-CZ 3.93Å; W437-F641 HydrophobicContact CZ3-CE1 4.32Å; W437-F641 AromaticContact CZ3-CZ 3.63Å; W437-F641 HydrophobicContact CZ3-CZ 3.63Å; V564-F641 HydrophobicContact CG1-CE1 3.85Å; V564-F641 HydrophobicContact CG1-CZ 4.08Å; Q639-F641 VanDerWaalsContact C-N 3.34Å; Q639-F641 HydrophobicContact CB-CD1 4.16Å; Q639-F641 HydrophobicContact CB-CE1 4.23Å; Q639-F641 PolarHBondContact O-N 2.61Å; F641-M675 HydrophobicContact CE2-CB 4.42Å; F641-L679 HydrophobicContact CE1-CB 3.91Å; F641-L679 HydrophobicContact CE1-CD1 4.15Å; F641-L679 HydrophobicContact CZ-CB 4.09Å; F641-N682 HydrophobicContact CD1-CB 4.32Å; F641-T691 WeakPolarHBondContact CA-O 3.46Å; F641-T691 PolarHBondContact N-O 3.22Å; F641-Q694 VanDerWaalsContact O-CB 3.25Å; F641-Q694 WeakPolarHBondContact O-CB 3.32Å
642	L	93.4	Very high	92.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.6	174	-62.4	177.1	0	0	0	113.8	F520 V564 L567 Y568 P640 D644 I645 M675 F696	F520-L642 HydrophobicContact CD2-CD1 4.43Å; F520-L642 HydrophobicContact CE2-CD1 3.57Å; F520-L642 HydrophobicContact CZ-CD1 3.68Å; V564-L642 HydrophobicContact CG1-CD1 3.88Å; L567-L642 WeakPolarHBondContact CA-O 3.47Å; L567-L642 HydrophobicContact CB-CB 4.17Å; Y568-L642 PolarHBondContact N-O 2.95Å; P640-L642 PolarHBondContact O-N 3.1Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.08Å; L642-I645 HydrophobicContact CB-CD1 4.05Å; L642-I645 HydrophobicContact CD2-CD1 3.67Å; L642-I645 HydrophobicContact CD2-CG1 4.34Å; L642-I645 HydrophobicContact CG-CD1 4.45Å; L642-M675 HydrophobicContact CD1-CE 3.98Å; L642-F696 HydrophobicContact CD2-CZ 4.41Å
643	R	93	Very high	92	Very high	59 Å²	59	34.2 Å²	34.2	22%	0.223	19%	0.193	C	C	.	.	S	Bend	trans	-60.3	-43.2	-176	-175.6	-174.4	-64.4	173.8	-4.7	111.3	E565 Y568 R613 Q616 P640 S692	E565-R643 IonicContact OE1-CZ 3.59Å; E565-R643 IonicContact OE1-NE 2.86Å; E565-R643 IonicContact OE1-NH2 3.93Å; E565-R643 PolarHBondContact OE1-NH2 3.01Å; E565-R643 WeakPolarHBondContact OE2-CB 3.01Å; E565-R643 IonicContact OE2-CZ 2.69Å; E565-R643 IonicContact OE2-NE 2.58Å; E565-R643 PolarHBondContact OE2-NE 3.47Å; E565-R643 IonicContact OE2-NH2 3.54Å; E565-R643 PolarHBondContact OE2-NH2 3.27Å; Y568-R643 WeakPolarHBondContact CB-O 3.4Å; R613-R643 PolarHBondContact NH1-O 3.47Å; Q616-R643 PolarHBondContact NE2-O 2.97Å; P640-R643 HydrophobicContact CB-CB 4.41Å; P640-R643 WeakPolarHBondContact O-CB 3.47Å; P640-R643 PolarHBondContact O-N 3.31Å; R643-S692 WeakPolarHBondContact CB-O 2.93Å; R643-S692 PolarHBondContact N-O 3.12Å
644	D	89.5	Confident	91.6	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.3	173.8	-57.6	-54.1	0	0	0	109.3	R613 L642 S692 S693 Q694	R613-D644 IonicContact CZ-OD1 3.95Å; R613-D644 VanDerWaalsContact CZ-OD1 3.26Å; R613-D644 IonicContact NH1-OD1 3.76Å; R613-D644 PolarHBondContact NH1-OD1 3.27Å; R613-D644 IonicContact NH2-OD1 2.81Å; R613-D644 PolarHBondContact NH2-OD1 3.33Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 3.08Å; D644-S692 PolarHBondContact N-O 3.27Å; D644-S693 CarbonylContact O-C 3.47Å; D644-S693 VanDerWaalsContact O-CA 3.22Å; D644-S693 WeakPolarHBondContact O-CA 3.47Å; D644-Q694 PolarHBondContact O-N 3.21Å
645	I	86.9	Confident	91.3	Very high	34 Å²	34	36.8 Å²	36.8	17%	0.174	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.8	-177.6	-59.1	173.1	0	0	0	109.2	L567 L642 Q694 F696	L567-I645 HydrophobicContact CB-CD1 3.74Å; L642-I645 HydrophobicContact CB-CD1 4.05Å; L642-I645 HydrophobicContact CD2-CD1 3.67Å; L642-I645 HydrophobicContact CD2-CG1 4.34Å; L642-I645 HydrophobicContact CG-CD1 4.45Å; I645-Q694 WeakPolarHBondContact CA-O 3.5Å; I645-F696 HydrophobicContact CG2-CD2 3.94Å; I645-F696 HydrophobicContact CG2-CE2 3.8Å
646	A	85	Confident	90.9	Very high	45 Å²	45	37.6 Å²	37.6	37%	0.372	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.3	166	0	0	0	0	0	109.5	Q694 D695	A646-Q694 PolarHBondContact N-O 3.01Å; A646-Q694 VanDerWaalsContact N-O 3.07Å; A646-D695 HydrophobicContact CB-CB 4.43Å
647	L	85.4	Confident	90.4	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.6	134.5	173.5	-85	-177.1	0	0	0	110.3	P571 L572 E574 F660	P571-L647 HydrophobicContact CB-CD1 4.27Å; P571-L647 HydrophobicContact CB-CG 4.02Å; P571-L647 WeakPolarHBondContact O-CD1 3.41Å; L572-L647 HydrophobicContact CD2-CD2 3.96Å; E574-L647 HydrophobicContact CB-CD1 3.73Å; E574-L647 HydrophobicContact CG-CD1 4.18Å; L647-F660 HydrophobicContact CD2-CE2 4.12Å; L647-F660 HydrophobicContact CD2-CZ 3.61Å
648	P	87.6	Confident	90	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.032	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-66.5	144	175.9	27.7	-32.8	0	0	0	110.8	P655 D656 Y659 F696 D697	P648-P655 CarbonylContact O-C 3.46Å; P648-P655 WeakPolarHBondContact O-CA 3.49Å; P648-D656 HydrophobicContact CB-CB 4.22Å; P648-D656 HydrophobicContact CG-CB 4.47Å; P648-D656 PolarHBondContact O-N 3.15Å; P648-Y659 HydrophobicContact CB-CD2 3.46Å; P648-Y659 VanDerWaalsContact CB-CD2 3.46Å; P648-Y659 HydrophobicContact CB-CE2 3.29Å; P648-Y659 HydrophobicContact CB-CG 4.13Å; P648-Y659 HydrophobicContact CG-CD1 4.23Å; P648-Y659 HydrophobicContact CG-CD2 3.25Å; P648-Y659 HydrophobicContact CG-CE2 3.67Å; P648-Y659 HydrophobicContact CG-CG 3.53Å; P648-F696 HydrophobicContact CB-CB 4.34Å; P648-F696 HydrophobicContact CG-CB 4.37Å; P648-D697 WeakPolarHBondContact CA-OD2 3.39Å; P648-D697 VanDerWaalsContact CB-CG 3.45Å; P648-D697 WeakPolarHBondContact CB-OD1 3.38Å; P648-D697 WeakPolarHBondContact CB-OD2 3.15Å
649	R	89.3	Confident	89.8	Confident	111 Å²	111	43 Å²	43	42%	0.419	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-128.3	140.6	-175.6	-63.2	-172.7	-177.3	-77.5	-7.8	112	E574 G653 R654 D697	E574-R649 IonicContact OE1-NH2 3.62Å; E574-R649 PolarHBondContact OE1-NH2 3.14Å; E574-R649 IonicContact OE2-CZ 2.66Å; E574-R649 IonicContact OE2-NH1 3.66Å; E574-R649 PolarHBondContact OE2-NH1 2.67Å; E574-R649 IonicContact OE2-NH2 3.18Å; E574-R649 PolarHBondContact OE2-NH2 2.98Å; R649-G653 WeakPolarHBondContact CD-O 3.27Å; R649-G653 PolarHBondContact NH1-O 2.76Å; R649-R654 CarbonylContact C-O 3.56Å; R649-R654 VanDerWaalsContact CA-O 3.28Å; R649-R654 WeakPolarHBondContact CA-O 3.32Å; R649-D697 PolarHBondContact N-OD2 3.22Å
650	L	86.9	Confident	89.6	Confident	56 Å²	56	43.7 Å²	43.7	29%	0.293	24%	0.237	S	C	.	.			trans	-68.8	164.4	167.9	-64.7	176	0	0	0	110.7	D652 G653 R654 D656	L650-D652 WeakPolarHBondContact CB-OD1 3.4Å; L650-D652 PolarHBondContact O-N 3.17Å; L650-G653 PolarHBondContact O-N 3.32Å; L650-R654 PolarHBondContact N-O 2.72Å; L650-D656 HydrophobicContact CD2-CB 3.95Å; L650-D656 HydrophobicContact CG-CB 4.09Å
651	P	87.3	Confident	89.4	Confident	145 Å²	145	43.6 Å²	43.6	94%	0.942	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.3	176.7	-27.3	35.7	0	0	0	115	G653	P651-G653 VanDerWaalsContact C-N 3.34Å
652	D	87	Confident	89.1	Confident	93 Å²	93	43.6 Å²	43.6	50%	0.497	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.8	176.2	67	8.4	0	0	0	113.8	L650 R654	L650-D652 WeakPolarHBondContact CB-OD1 3.4Å; L650-D652 PolarHBondContact O-N 3.17Å; D652-R654 WeakPolarHBondContact OD1-CB 3.2Å; D652-R654 PolarHBondContact OD1-N 3.12Å; D652-R654 IonicContact OD1-NE 2.64Å; D652-R654 IonicContact OD2-CZ 2.63Å; D652-R654 VanDerWaalsContact OD2-CZ 3.23Å; D652-R654 IonicContact OD2-NE 3.37Å; D652-R654 PolarHBondContact OD2-NE 3.43Å; D652-R654 IonicContact OD2-NH2 3.05Å; D652-R654 PolarHBondContact OD2-NH2 2.71Å
653	G	86.8	Confident	88.9	Confident	38 Å²	38	43.6 Å²	43.6	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	88.2	-8.1	178	0	0	0	0	0	115.2	R649 L650 P651	R649-G653 WeakPolarHBondContact CD-O 3.27Å; R649-G653 PolarHBondContact NH1-O 2.76Å; L650-G653 PolarHBondContact O-N 3.32Å; P651-G653 VanDerWaalsContact C-N 3.34Å
654	R	88.4	Confident	88.8	Confident	86 Å²	86	40.8 Å²	40.8	33%	0.325	23%	0.226	S	C	.	.	S	Bend	trans	-72.7	150.4	176.8	-67.4	-175.3	-66.4	146.7	4.1	111.3	D578 S580 R649 L650 D652 D656	D578-R654 WeakPolarHBondContact OD2-CD 3.43Å; S580-R654 PolarHBondContact OG-NH1 2.72Å; R649-R654 CarbonylContact C-O 3.56Å; R649-R654 VanDerWaalsContact CA-O 3.28Å; R649-R654 WeakPolarHBondContact CA-O 3.32Å; L650-R654 PolarHBondContact N-O 2.72Å; D652-R654 WeakPolarHBondContact OD1-CB 3.2Å; D652-R654 PolarHBondContact OD1-N 3.12Å; D652-R654 IonicContact OD1-NE 2.64Å; D652-R654 IonicContact OD2-CZ 2.63Å; D652-R654 VanDerWaalsContact OD2-CZ 3.23Å; D652-R654 IonicContact OD2-NE 3.37Å; D652-R654 PolarHBondContact OD2-NE 3.43Å; D652-R654 IonicContact OD2-NH2 3.05Å; D652-R654 PolarHBondContact OD2-NH2 2.71Å; R654-D656 PolarHBondContact O-N 3.41Å
655	P	90.9	Very high	89	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.045	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-54.6	134.1	173.2	-26	34.6	0	0	0	112.8	E574 M575 L581 P648 R657	E574-P655 HydrophobicContact CB-CG 4.12Å; M575-P655 HydrophobicContact SD-CB 3.28Å; M575-P655 WeakPolarHBondContact SD-CB 3.27Å; M575-P655 HydrophobicContact SD-CG 4.26Å; L581-P655 HydrophobicContact CD1-CB 4.02Å; L581-P655 HydrophobicContact CD1-CG 4.14Å; P648-P655 CarbonylContact O-C 3.46Å; P648-P655 WeakPolarHBondContact O-CA 3.49Å; P655-R657 PolarHBondContact O-N 3.33Å
656	D	90.2	Very high	89.3	Confident	18 Å²	18	38.8 Å²	38.8	10%	0.096	21%	0.213	C	C	.	.			trans	-80.9	97.8	178.8	-177.5	0.7	0	0	0	110.8	P648 L650 R654 S658 Y659 K670	P648-D656 HydrophobicContact CB-CB 4.22Å; P648-D656 HydrophobicContact CG-CB 4.47Å; P648-D656 PolarHBondContact O-N 3.15Å; L650-D656 HydrophobicContact CD2-CB 3.95Å; L650-D656 HydrophobicContact CG-CB 4.09Å; R654-D656 PolarHBondContact O-N 3.41Å; D656-S658 PolarHBondContact O-N 3.13Å; D656-S658 WeakPolarHBondContact OD1-CB 3.5Å; D656-S658 PolarHBondContact OD1-N 3.23Å; D656-S658 PolarHBondContact OD1-OG 3.29Å; D656-S658 PolarHBondContact OD2-OG 2.92Å; D656-Y659 HydrophobicContact CB-CD2 3.95Å; D656-Y659 HydrophobicContact CB-CE2 4.19Å; D656-Y659 PolarHBondContact O-N 2.68Å; D656-Y659 WeakPolarHBondContact OD2-CD2 3.27Å; D656-Y659 VanDerWaalsContact OD2-CE2 3.27Å; D656-Y659 WeakPolarHBondContact OD2-CE2 3.31Å; D656-K670 IonicContact OD2-NZ 2.91Å; D656-K670 PolarHBondContact OD2-NZ 3.45Å
657	R	88.6	Confident	89.8	Confident	53 Å²	53	37.6 Å²	37.6	20%	0.2	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-56.9	-19.2	177.3	-172.8	173.2	169.4	-165.7	-6.5	113.7	P422 M575 L581 P655 Y659 F660	P422-R657 PolarHBondContact O-NH2 3.09Å; M575-R657 HydrophobicContact CE-CB 3.97Å; M575-R657 HydrophobicContact CE-CG 4.12Å; L581-R657 WeakPolarHBondContact O-CD 3.35Å; L581-R657 PolarHBondContact O-NH1 3.26Å; P655-R657 PolarHBondContact O-N 3.33Å; R657-Y659 PolarHBondContact O-N 2.83Å; R657-F660 PolarHBondContact O-N 3.39Å
658	S	89.1	Confident	90.2	Very high	59 Å²	59	37.6 Å²	37.6	41%	0.413	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-66.4	-15.9	179.9	73	0	0	0	0	114.3	D656 F660 S668 K670	D656-S658 PolarHBondContact O-N 3.13Å; D656-S658 WeakPolarHBondContact OD1-CB 3.5Å; D656-S658 PolarHBondContact OD1-N 3.23Å; D656-S658 PolarHBondContact OD1-OG 3.29Å; D656-S658 PolarHBondContact OD2-OG 2.92Å; S658-F660 VanDerWaalsContact C-N 3.31Å; S658-S668 WeakPolarHBondContact O-CB 3.28Å; S658-S668 PolarHBondContact O-OG 3.46Å; S658-K670 PolarHBondContact OG-NZ 3.26Å
659	Y	91.8	Very high	90.4	Very high	18 Å²	18	39.9 Å²	39.9	7%	0.071	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-83.3	-5.9	172.9	-72.8	-92.7	0	0	0	113.7	P648 D656 R657 S668 K670 A671 V674 F696 D697	P648-Y659 HydrophobicContact CB-CD2 3.46Å; P648-Y659 VanDerWaalsContact CB-CD2 3.46Å; P648-Y659 HydrophobicContact CB-CE2 3.29Å; P648-Y659 HydrophobicContact CB-CG 4.13Å; P648-Y659 HydrophobicContact CG-CD1 4.23Å; P648-Y659 HydrophobicContact CG-CD2 3.25Å; P648-Y659 HydrophobicContact CG-CE2 3.67Å; P648-Y659 HydrophobicContact CG-CG 3.53Å; D656-Y659 HydrophobicContact CB-CD2 3.95Å; D656-Y659 HydrophobicContact CB-CE2 4.19Å; D656-Y659 PolarHBondContact O-N 2.68Å; D656-Y659 WeakPolarHBondContact OD2-CD2 3.27Å; D656-Y659 VanDerWaalsContact OD2-CE2 3.27Å; D656-Y659 WeakPolarHBondContact OD2-CE2 3.31Å; R657-Y659 PolarHBondContact O-N 2.83Å; Y659-S668 WeakPolarHBondContact CA-OG 3.13Å; Y659-S668 PolarHBondContact O-N 3.4Å; Y659-S668 PolarHBondContact O-OG 3.27Å; Y659-K670 HydrophobicContact CD1-CB 4.15Å; Y659-K670 HydrophobicContact CD1-CD 3.77Å; Y659-K670 HydrophobicContact CD1-CG 3.79Å; Y659-K670 HydrophobicContact CD2-CD 3.89Å; Y659-K670 HydrophobicContact CE1-CB 4.46Å; Y659-K670 HydrophobicContact CE1-CD 3.62Å; Y659-K670 HydrophobicContact CE1-CG 3.62Å; Y659-K670 HydrophobicContact CE2-CD 3.8Å; Y659-K670 VanDerWaalsContact CE2-CE 3.42Å; Y659-K670 HydrophobicContact CG-CD 3.91Å; Y659-K670 HydrophobicContact CG-CG 4.39Å; Y659-K670 WeakPolarHBondContact OH-CE 3.42Å; Y659-A671 HydrophobicContact CD1-CB 4.06Å; Y659-A671 WeakPolarHBondContact O-CB 3.4Å; Y659-V674 HydrophobicContact CE1-CG2 4.38Å; Y659-F696 HydrophobicContact CD1-CB 4.45Å; Y659-F696 HydrophobicContact CD1-CD1 4.19Å; Y659-F696 HydrophobicContact CE1-CB 4.16Å; Y659-F696 HydrophobicContact CE1-CD1 4.46Å; Y659-F696 PolarHBondContact OH-O 3.44Å; Y659-F696 VanDerWaalsContact OH-O 3.07Å; Y659-D697 WeakPolarHBondContact CE2-OD1 3.47Å; Y659-D697 PolarHBondContact OH-OD1 2.77Å
660	F	93.2	Very high	90.5	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.07	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-116.1	152.6	-177.3	-63.5	-87.9	0	0	0	111.9	L572 M575 L647 R657 S658 H666 L667	L572-F660 HydrophobicContact CD2-CE1 3.7Å; L572-F660 HydrophobicContact CD2-CZ 3.85Å; M575-F660 HydrophobicContact CE-CD2 3.67Å; M575-F660 HydrophobicContact CE-CE2 4.11Å; M575-F660 HydrophobicContact CE-CG 4.21Å; M575-F660 HydrophobicContact CG-CD2 4.31Å; M575-F660 HydrophobicContact CG-CE1 4.47Å; M575-F660 HydrophobicContact CG-CE2 3.95Å; M575-F660 HydrophobicContact CG-CZ 4.05Å; M575-F660 HydrophobicContact SD-CD2 3.82Å; M575-F660 HydrophobicContact SD-CE2 3.6Å; M575-F660 VanDerWaalsContact SD-CE2 3.6Å; M575-F660 HydrophobicContact SD-CZ 4.28Å; L647-F660 HydrophobicContact CD2-CE2 4.12Å; L647-F660 HydrophobicContact CD2-CZ 3.61Å; R657-F660 PolarHBondContact O-N 3.39Å; S658-F660 VanDerWaalsContact C-N 3.31Å; F660-H666 CarbonylContact C-O 3.58Å; F660-H666 WeakPolarHBondContact CA-O 3.21Å; F660-L667 HydrophobicContact CD1-CD2 3.96Å; F660-L667 HydrophobicContact CE1-CD2 3.75Å
661	S	92.2	Very high	90.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	19%	0.19	C	C	.	.			trans	-68.6	170.3	167.1	-62.5	0	0	0	0	110	G417 D663 C664 H666 L667	G417-S661 PolarHBondContact O-OG 3.11Å; G417-S661 VanDerWaalsContact O-OG 3.08Å; S661-D663 PolarHBondContact O-N 3.34Å; S661-C664 PolarHBondContact O-N 3.49Å; S661-H666 WeakPolarHBondContact CB-O 3.38Å; S661-H666 PolarHBondContact N-O 3.38Å; S661-H666 PolarHBondContact OG-O 2.99Å; S661-L667 PolarHBondContact OG-O 2.88Å
662	P	88.2	Confident	91.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19	-175.6	-32.2	40.7	0	0	0	116.3	S421 P422 V425 V428 C664	S421-P662 WeakPolarHBondContact O-CG 3.42Å; P422-P662 WeakPolarHBondContact O-CA 3.1Å; P422-P662 VanDerWaalsContact O-CB 3.3Å; P422-P662 WeakPolarHBondContact O-CB 3.35Å; V425-P662 HydrophobicContact CG2-CB 4.17Å; V428-P662 HydrophobicContact CG2-CB 4.29Å; V428-P662 HydrophobicContact CG2-CG 4.41Å; P662-C664 VanDerWaalsContact C-N 3.29Å
663	D	89.2	Confident	91.5	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.4	175.2	68.9	-14.4	0	0	0	114.1	V428 P584 L587 S661 F665 H666	V428-D663 HydrophobicContact CG1-CB 4.47Å; V428-D663 WeakPolarHBondContact CG1-OD2 3.48Å; V428-D663 HydrophobicContact CG2-CB 4.11Å; P584-D663 HydrophobicContact CG-CB 4.41Å; L587-D663 HydrophobicContact CD2-CB 4.07Å; S661-D663 PolarHBondContact O-N 3.34Å; D663-F665 PolarHBondContact O-N 3.44Å; D663-F665 PolarHBondContact OD1-N 3.12Å; D663-H666 PolarHBondContact OD1-N 2.81Å; D663-H666 IonicContact OD2-CE1 2.69Å; D663-H666 IonicContact OD2-CG 3.51Å; D663-H666 PolarHBondContact OD2-N 2.8Å; D663-H666 IonicContact OD2-ND1 3.05Å; D663-H666 PolarHBondContact OD2-ND1 3.4Å
664	C	91.9	Very high	91.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	58.6	21.3	-173.1	-60.1	0	0	0	0	114.9	M575 H576 C583 S661 P662	M575-C664 HydrophobicContact CB-CB 4.28Å; M575-C664 HydrophobicContact CE-CB 4.17Å; H576-C664 PolarHBondContact NE2-O 3.01Å; C583-C664 WeakPolarHBondContact CA-SG 3.01Å; C583-C664 HydrophobicContact CB-CB 3.5Å; C583-C664 VanDerWaalsContact CB-CB 3.5Å; C583-C664 WeakPolarHBondContact CB-SG 3.19Å; C583-C664 WeakPolarHBondContact SG-CB 3.22Å; C583-C664 CovalentContact SG-SG 2.03Å; C583-C664 PolarHBondContact SG-SG 3.15Å; S661-C664 PolarHBondContact O-N 3.49Å; P662-C664 VanDerWaalsContact C-N 3.29Å
665	F	92.5	Very high	92.2	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.105	10%	0.095	C	C	.	.	S	Bend	trans	-127.1	-53.2	-179.3	-179.2	-116.5	0	0	0	111.5	I569 L572 L588 C592 D663	I569-F665 HydrophobicContact CD1-CE2 4.4Å; L572-F665 HydrophobicContact CD1-CD2 4.24Å; L572-F665 HydrophobicContact CD1-CE2 4.14Å; L588-F665 HydrophobicContact CD1-CB 3.83Å; L588-F665 HydrophobicContact CD1-CD1 3.86Å; L588-F665 HydrophobicContact CD1-CD2 3.6Å; L588-F665 HydrophobicContact CD1-CE1 4.3Å; L588-F665 HydrophobicContact CD1-CE2 4.08Å; L588-F665 HydrophobicContact CD1-CG 3.48Å; L588-F665 VanDerWaalsContact CD1-CG 3.48Å; L588-F665 HydrophobicContact CD1-CZ 4.4Å; L588-F665 HydrophobicContact CD2-CB 4.13Å; L588-F665 HydrophobicContact CD2-CD2 3.83Å; L588-F665 HydrophobicContact CD2-CG 4.2Å; L588-F665 HydrophobicContact CG-CD2 4.42Å; C592-F665 HydrophobicContact CB-CE2 4.32Å; C592-F665 HydrophobicContact CB-CZ 4.25Å; D663-F665 PolarHBondContact O-N 3.44Å; D663-F665 PolarHBondContact OD1-N 3.12Å
666	H	94.8	Very high	92.5	Very high	16 Å²	16	18.2 Å²	18.2	7%	0.074	9%	0.093	C	C	.	.	S	Bend	trans	-69.7	154.9	172.6	-69.7	87.2	0	0	0	110.6	S411 V428 F660 S661 D663	S411-H666 WeakPolarHBondContact CB-NE2 3.33Å; S411-H666 PolarHBondContact OG-CD2 3.16Å; S411-H666 PolarHBondContact OG-NE2 3.5Å; V428-H666 HydrophobicContact CG1-CB 4.15Å; V428-H666 WeakPolarHBondContact CG1-ND1 3.31Å; F660-H666 CarbonylContact C-O 3.58Å; F660-H666 WeakPolarHBondContact CA-O 3.21Å; S661-H666 WeakPolarHBondContact CB-O 3.38Å; S661-H666 PolarHBondContact N-O 3.38Å; S661-H666 PolarHBondContact OG-O 2.99Å; D663-H666 PolarHBondContact OD1-N 2.81Å; D663-H666 IonicContact OD2-CE1 2.69Å; D663-H666 IonicContact OD2-CG 3.51Å; D663-H666 PolarHBondContact OD2-N 2.8Å; D663-H666 IonicContact OD2-ND1 3.05Å; D663-H666 PolarHBondContact OD2-ND1 3.4Å
667	L	93.9	Very high	92.8	Very high	21 Å²	21	20 Å²	20	11%	0.11	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-92.7	134.8	-172.8	-61.9	-179.2	0	0	0	111.3	L412 F660 S661 A671 Q672 M675	L412-L667 HydrophobicContact CD1-CD1 4.27Å; L412-L667 HydrophobicContact CD2-CB 4.1Å; L412-L667 HydrophobicContact CD2-CD1 4.2Å; L412-L667 HydrophobicContact CD2-CG 3.9Å; F660-L667 HydrophobicContact CD1-CD2 3.96Å; F660-L667 HydrophobicContact CE1-CD2 3.75Å; S661-L667 PolarHBondContact OG-O 2.88Å; L667-A671 HydrophobicContact CB-CB 3.82Å; L667-A671 HydrophobicContact CD1-CB 4.4Å; L667-A671 HydrophobicContact CD2-CB 4.11Å; L667-A671 HydrophobicContact CG-CB 4.32Å; L667-Q672 HydrophobicContact CB-CG 4.28Å; L667-M675 HydrophobicContact CD1-CE 4.43Å; L667-M675 HydrophobicContact CD1-SD 3.36Å; L667-M675 WeakPolarHBondContact CD1-SD 3.33Å
668	S	93.7	Very high	93.2	Very high	16 Å²	16	17.7 Å²	17.7	11%	0.112	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-72.8	172.7	177	79.2	0	0	0	0	111.6	S658 Y659 K670 A671 Q672	S658-S668 WeakPolarHBondContact O-CB 3.28Å; S658-S668 PolarHBondContact O-OG 3.46Å; Y659-S668 WeakPolarHBondContact CA-OG 3.13Å; Y659-S668 PolarHBondContact O-N 3.4Å; Y659-S668 PolarHBondContact O-OG 3.27Å; S668-K670 PolarHBondContact O-N 3.48Å; S668-K670 VanDerWaalsContact O-N 3.11Å; S668-K670 WeakPolarHBondContact OG-CB 3.47Å; S668-K670 PolarHBondContact OG-N 3.22Å; S668-A671 PolarHBondContact O-N 2.62Å; S668-Q672 WeakPolarHBondContact O-CB 3.45Å; S668-Q672 WeakPolarHBondContact O-CG 3.23Å; S668-Q672 PolarHBondContact O-N 2.94Å
669	Q	92.8	Very high	93.6	Very high	53 Å²	53	14.9 Å²	14.9	25%	0.248	7%	0.07	C	C	.	.	H	α-helix	trans	-54.5	-29.7	172.9	-161.8	178	11.1	0	0	113.7	T375 I418 T673	T375-Q669 HydrophobicContact CG2-CB 4.48Å; T375-Q669 HydrophobicContact CG2-CG 4.11Å; I418-Q669 HydrophobicContact CG2-CB 3.74Å; I418-Q669 HydrophobicContact CG2-CG 4.07Å; I418-Q669 PolarHBondContact O-N 2.76Å; Q669-T673 WeakPolarHBondContact O-CB 3.43Å; Q669-T673 PolarHBondContact O-N 3.27Å; Q669-T673 PolarHBondContact O-OG1 3.44Å
670	K	91.8	Very high	93.9	Very high	53 Å²	53	14.1 Å²	14.1	23%	0.23	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-50.2	177.7	-166.4	-173.6	-176.3	-168	0	111.2	D656 S658 Y659 S668 T673 V674	D656-K670 IonicContact OD2-NZ 2.91Å; D656-K670 PolarHBondContact OD2-NZ 3.45Å; S658-K670 PolarHBondContact OG-NZ 3.26Å; Y659-K670 HydrophobicContact CD1-CB 4.15Å; Y659-K670 HydrophobicContact CD1-CD 3.77Å; Y659-K670 HydrophobicContact CD1-CG 3.79Å; Y659-K670 HydrophobicContact CD2-CD 3.89Å; Y659-K670 HydrophobicContact CE1-CB 4.46Å; Y659-K670 HydrophobicContact CE1-CD 3.62Å; Y659-K670 HydrophobicContact CE1-CG 3.62Å; Y659-K670 HydrophobicContact CE2-CD 3.8Å; Y659-K670 VanDerWaalsContact CE2-CE 3.42Å; Y659-K670 HydrophobicContact CG-CD 3.91Å; Y659-K670 HydrophobicContact CG-CG 4.39Å; Y659-K670 WeakPolarHBondContact OH-CE 3.42Å; S668-K670 PolarHBondContact O-N 3.48Å; S668-K670 VanDerWaalsContact O-N 3.11Å; S668-K670 WeakPolarHBondContact OG-CB 3.47Å; S668-K670 PolarHBondContact OG-N 3.22Å; K670-T673 WeakPolarHBondContact O-CB 3.29Å; K670-T673 PolarHBondContact O-N 2.92Å; K670-V674 PolarHBondContact O-N 3.03Å
671	A	93.1	Very high	94	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-67	-40.3	177.2	0	0	0	0	0	112.4	Y659 L667 S668 T673 V674 M675 F696	Y659-A671 HydrophobicContact CD1-CB 4.06Å; Y659-A671 WeakPolarHBondContact O-CB 3.4Å; L667-A671 HydrophobicContact CB-CB 3.82Å; L667-A671 HydrophobicContact CD1-CB 4.4Å; L667-A671 HydrophobicContact CD2-CB 4.11Å; L667-A671 HydrophobicContact CG-CB 4.32Å; S668-A671 PolarHBondContact O-N 2.62Å; A671-T673 VanDerWaalsContact C-N 3.28Å; A671-T673 PolarHBondContact O-N 2.8Å; A671-V674 WeakPolarHBondContact O-CB 3.47Å; A671-V674 PolarHBondContact O-N 3.04Å; A671-V674 VanDerWaalsContact O-N 3.1Å; A671-M675 WeakPolarHBondContact O-CG 3.47Å; A671-M675 PolarHBondContact O-N 2.74Å; A671-F696 HydrophobicContact CB-CD1 4.13Å; A671-F696 HydrophobicContact CB-CE1 3.91Å
672	Q	95.3	Very high	94.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.009	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-37	176.6	-67.8	-83.9	-19.6	0	0	112	I418 W437 L667 S668 M675 A676	I418-Q672 HydrophobicContact CD1-CB 4.46Å; I418-Q672 HydrophobicContact CD1-CG 3.71Å; I418-Q672 HydrophobicContact CG1-CG 3.89Å; I418-Q672 HydrophobicContact CG2-CG 4.35Å; W437-Q672 HydrophobicContact CB-CB 4.27Å; W437-Q672 VanDerWaalsContact CB-O 3.25Å; W437-Q672 WeakPolarHBondContact CB-O 3.3Å; W437-Q672 VanDerWaalsContact CG-OE1 3.26Å; W437-Q672 VanDerWaalsContact N-OE1 3.12Å; L667-Q672 HydrophobicContact CB-CG 4.28Å; S668-Q672 WeakPolarHBondContact O-CB 3.45Å; S668-Q672 WeakPolarHBondContact O-CG 3.23Å; S668-Q672 PolarHBondContact O-N 2.94Å; Q672-M675 PolarHBondContact O-N 2.96Å; Q672-A676 PolarHBondContact O-N 2.96Å
673	T	93.9	Very high	94.7	Very high	10 Å²	10	13.7 Å²	13.7	6%	0.061	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-44.8	172.3	-67.1	0	0	0	0	111.7	T375 T449 Q669 K670 A671 A676 R677	T375-T673 WeakPolarHBondContact CB-OG1 3.47Å; T375-T673 WeakPolarHBondContact O-CG2 3.46Å; T375-T673 PolarHBondContact O-OG1 3.46Å; T449-T673 HydrophobicContact CG2-CG2 4.29Å; Q669-T673 WeakPolarHBondContact O-CB 3.43Å; Q669-T673 PolarHBondContact O-N 3.27Å; Q669-T673 PolarHBondContact O-OG1 3.44Å; K670-T673 WeakPolarHBondContact O-CB 3.29Å; K670-T673 PolarHBondContact O-N 2.92Å; A671-T673 VanDerWaalsContact C-N 3.28Å; A671-T673 PolarHBondContact O-N 2.8Å; T673-A676 PolarHBondContact O-N 3.23Å; T673-R677 WeakPolarHBondContact O-CD 3.23Å; T673-R677 VanDerWaalsContact O-CG 3.28Å; T673-R677 WeakPolarHBondContact O-CG 3.38Å; T673-R677 PolarHBondContact O-N 2.9Å; T673-R677 VanDerWaalsContact O-N 3.15Å
674	V	94.1	Very high	95	Very high	14 Å²	14	14.5 Å²	14.5	9%	0.085	7%	0.07	C	C	.	.	H	α-helix	trans	-61.8	-47.5	176	177.3	0	0	0	0	110.3	Y659 K670 A671 A676 R677 S678 Q694 F696 F700	Y659-V674 HydrophobicContact CE1-CG2 4.38Å; K670-V674 PolarHBondContact O-N 3.03Å; A671-V674 WeakPolarHBondContact O-CB 3.47Å; A671-V674 PolarHBondContact O-N 3.04Å; A671-V674 VanDerWaalsContact O-N 3.1Å; V674-A676 VanDerWaalsContact C-N 3.34Å; V674-A676 PolarHBondContact O-N 3.34Å; V674-R677 PolarHBondContact O-N 2.83Å; V674-R677 VanDerWaalsContact O-N 3.14Å; V674-S678 WeakPolarHBondContact O-CB 3.45Å; V674-S678 PolarHBondContact O-N 2.78Å; V674-S678 PolarHBondContact O-OG 3.03Å; V674-Q694 HydrophobicContact CG1-CG 4.25Å; V674-F696 HydrophobicContact CB-CD1 3.88Å; V674-F696 HydrophobicContact CB-CE1 3.99Å; V674-F696 HydrophobicContact CB-CG 4.45Å; V674-F696 HydrophobicContact CG1-CD1 3.88Å; V674-F696 HydrophobicContact CG1-CD2 4.23Å; V674-F696 HydrophobicContact CG1-CE1 4.03Å; V674-F696 HydrophobicContact CG1-CE2 4.36Å; V674-F696 HydrophobicContact CG1-CG 3.98Å; V674-F696 HydrophobicContact CG1-CZ 4.27Å; V674-F696 HydrophobicContact CG2-CD1 4.24Å; V674-F700 HydrophobicContact CG1-CE1 4.06Å; V674-F700 HydrophobicContact CG1-CZ 4.28Å
675	M	95.8	Very high	95.2	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-42.3	178.3	-67	174.3	73.4	0	0	112.9	W437 F520 F641 L642 L667 A671 Q672 R677 S678 L679 F696	W437-M675 HydrophobicContact CB-CB 4.06Å; W437-M675 HydrophobicContact CD2-CB 3.89Å; W437-M675 HydrophobicContact CD2-CE 3.84Å; W437-M675 HydrophobicContact CE3-CB 3.74Å; W437-M675 HydrophobicContact CE3-CE 4.37Å; W437-M675 HydrophobicContact CG-CB 4.06Å; W437-M675 HydrophobicContact CG-CE 4.24Å; W437-M675 HydrophobicContact CG-SD 4.47Å; W437-M675 HydrophobicContact CH2-CE 4.3Å; W437-M675 HydrophobicContact CZ2-CE 3.81Å; W437-M675 HydrophobicContact CZ3-CB 4.42Å; F520-M675 HydrophobicContact CE1-CE 4.24Å; F520-M675 HydrophobicContact CZ-CE 4.5Å; F641-M675 HydrophobicContact CE2-CB 4.42Å; L642-M675 HydrophobicContact CD1-CE 3.98Å; L667-M675 HydrophobicContact CD1-CE 4.43Å; L667-M675 HydrophobicContact CD1-SD 3.36Å; L667-M675 WeakPolarHBondContact CD1-SD 3.33Å; A671-M675 WeakPolarHBondContact O-CG 3.47Å; A671-M675 PolarHBondContact O-N 2.74Å; Q672-M675 PolarHBondContact O-N 2.96Å; M675-R677 PolarHBondContact O-N 2.98Å; M675-S678 PolarHBondContact O-N 3.01Å; M675-L679 WeakPolarHBondContact O-CB 3.49Å; M675-L679 PolarHBondContact O-N 2.67Å; M675-F696 HydrophobicContact CG-CE1 4.22Å; M675-F696 HydrophobicContact CG-CZ 4.01Å
676	A	97.2	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-42.6	177	0	0	0	0	0	112	W437 T449 Q672 T673 V674 W680	W437-A676 HydrophobicContact CB-CB 4.14Å; W437-A676 WeakPolarHBondContact O-CB 3.32Å; T449-A676 HydrophobicContact CG2-CB 4.18Å; Q672-A676 PolarHBondContact O-N 2.96Å; T673-A676 PolarHBondContact O-N 3.23Å; V674-A676 VanDerWaalsContact C-N 3.34Å; V674-A676 PolarHBondContact O-N 3.34Å; A676-W680 PolarHBondContact O-N 3.43Å; A676-W680 VanDerWaalsContact O-N 3.11Å
677	R	95.8	Very high	95.1	Very high	55 Å²	55	16.3 Å²	16.3	21%	0.208	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-43.2	176.8	-65	162.8	70.8	157.9	4.7	111.6	T377 T449 T673 V674 M675 W680 N681 F700 L702	T377-R677 HydrophobicContact CG2-CG 4.48Å; T449-R677 HydrophobicContact CG2-CG 3.85Å; T673-R677 WeakPolarHBondContact O-CD 3.23Å; T673-R677 VanDerWaalsContact O-CG 3.28Å; T673-R677 WeakPolarHBondContact O-CG 3.38Å; T673-R677 PolarHBondContact O-N 2.9Å; T673-R677 VanDerWaalsContact O-N 3.15Å; V674-R677 PolarHBondContact O-N 2.83Å; V674-R677 VanDerWaalsContact O-N 3.14Å; M675-R677 PolarHBondContact O-N 2.98Å; R677-W680 PolarHBondContact O-N 2.85Å; R677-N681 WeakPolarHBondContact O-CB 3.45Å; R677-N681 PolarHBondContact O-N 3.19Å; R677-F700 HydrophobicContact CB-CE2 3.61Å; R677-F700 HydrophobicContact CB-CZ 3.73Å; R677-F700 PolarHBondContact NH2-O 3.35Å; R677-L702 HydrophobicContact CB-CD2 3.75Å; R677-L702 HydrophobicContact CG-CD2 3.75Å; R677-L702 HydrophobicContact CG-CG 4.43Å
678	S	96.1	Very high	94.7	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-47.4	178.1	-60.5	0	0	0	0	111	V674 M675 W680 N681 N682 Q694 F700	V674-S678 WeakPolarHBondContact O-CB 3.45Å; V674-S678 PolarHBondContact O-N 2.78Å; V674-S678 PolarHBondContact O-OG 3.03Å; M675-S678 PolarHBondContact O-N 3.01Å; S678-W680 PolarHBondContact O-N 2.71Å; S678-N681 PolarHBondContact O-N 3.47Å; S678-N682 VanDerWaalsContact O-CB 3.25Å; S678-N682 WeakPolarHBondContact O-CB 3.28Å; S678-N682 PolarHBondContact O-N 3.24Å; S678-Q694 PolarHBondContact OG-OE1 3.33Å; S678-F700 WeakPolarHBondContact OG-CZ 3.49Å
679	L	97.8	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-45.2	176.8	175.1	60.7	0	0	0	112.6	W437 C438 L451 T518 N562 V564 Q639 F641 M675 N681 N682 M683	W437-L679 HydrophobicContact CE3-CB 4.32Å; W437-L679 HydrophobicContact CE3-CD2 4.06Å; W437-L679 HydrophobicContact CH2-CD2 4.15Å; W437-L679 HydrophobicContact CZ3-CB 3.75Å; W437-L679 HydrophobicContact CZ3-CD2 3.44Å; W437-L679 VanDerWaalsContact CZ3-CD2 3.44Å; W437-L679 HydrophobicContact CZ3-CG 4.12Å; C438-L679 HydrophobicContact CB-CD2 4.09Å; L451-L679 HydrophobicContact CD2-CD2 3.82Å; T518-L679 HydrophobicContact CG2-CD2 4.44Å; N562-L679 HydrophobicContact CB-CD1 4.5Å; V564-L679 HydrophobicContact CG2-CD1 4.36Å; Q639-L679 HydrophobicContact CB-CD1 4.08Å; Q639-L679 HydrophobicContact CG-CD1 3.72Å; F641-L679 HydrophobicContact CE1-CB 3.91Å; F641-L679 HydrophobicContact CE1-CD1 4.15Å; F641-L679 HydrophobicContact CZ-CB 4.09Å; M675-L679 WeakPolarHBondContact O-CB 3.49Å; M675-L679 PolarHBondContact O-N 2.67Å; L679-N681 PolarHBondContact O-N 2.9Å; L679-N682 PolarHBondContact O-N 3.04Å; L679-M683 HydrophobicContact CD1-CG 4.21Å; L679-M683 HydrophobicContact CD1-SD 4.46Å; L679-M683 HydrophobicContact CG-SD 4.39Å; L679-M683 WeakPolarHBondContact O-CG 3.4Å; L679-M683 PolarHBondContact O-N 3.18Å
680	W	97.7	Very high	94.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-49.1	176.2	174.5	-97	0	0	0	112	P399 L451 I454 L455 F458 A676 R677 S678 N682 M683 L684 L702 K703	P399-W680 HydrophobicContact CB-CH2 3.69Å; P399-W680 HydrophobicContact CB-CZ3 4.3Å; P399-W680 HydrophobicContact CG-CH2 3.81Å; P399-W680 HydrophobicContact CG-CZ2 4.48Å; L451-W680 HydrophobicContact CD1-CE3 3.87Å; I454-W680 HydrophobicContact CB-CE3 4.31Å; I454-W680 HydrophobicContact CD1-CB 3.8Å; I454-W680 HydrophobicContact CD1-CD2 4.41Å; I454-W680 HydrophobicContact CD1-CG 4.03Å; I454-W680 HydrophobicContact CG2-CD2 3.52Å; I454-W680 HydrophobicContact CG2-CE3 3.54Å; I454-W680 HydrophobicContact CG2-CG 4.15Å; I454-W680 HydrophobicContact CG2-CH2 3.86Å; I454-W680 HydrophobicContact CG2-CZ2 3.87Å; I454-W680 HydrophobicContact CG2-CZ3 3.71Å; L455-W680 HydrophobicContact CD2-CZ3 3.86Å; L455-W680 HydrophobicContact CG-CZ3 4.38Å; F458-W680 AromaticContact CD2-CH2 3.85Å; F458-W680 HydrophobicContact CD2-CH2 3.85Å; F458-W680 HydrophobicContact CD2-CZ2 4.41Å; F458-W680 AromaticContact CE2-CH2 3.29Å; F458-W680 HydrophobicContact CE2-CH2 3.29Å; F458-W680 AromaticContact CE2-CZ2 3.43Å; F458-W680 HydrophobicContact CE2-CZ2 3.43Å; F458-W680 VanDerWaalsContact CE2-CZ2 3.43Å; F458-W680 HydrophobicContact CE2-CZ3 4.4Å; F458-W680 AromaticContact CZ-CH2 3.86Å; F458-W680 HydrophobicContact CZ-CH2 3.86Å; F458-W680 AromaticContact CZ-CZ2 3.69Å; F458-W680 HydrophobicContact CZ-CZ2 3.69Å; A676-W680 PolarHBondContact O-N 3.43Å; A676-W680 VanDerWaalsContact O-N 3.11Å; R677-W680 PolarHBondContact O-N 2.85Å; S678-W680 PolarHBondContact O-N 2.71Å; W680-N682 VanDerWaalsContact C-N 3.33Å; W680-N682 PolarHBondContact O-N 3.24Å; W680-M683 WeakPolarHBondContact O-CB 3.28Å; W680-M683 PolarHBondContact O-N 2.95Å; W680-L684 HydrophobicContact CZ2-CD1 3.94Å; W680-L684 PolarHBondContact O-N 3.27Å; W680-L702 HydrophobicContact CB-CD2 4.17Å; W680-L702 HydrophobicContact CG-CD2 4.11Å; W680-K703 PolarHBondContact NE1-O 3.38Å
681	N	96.6	Very high	94.9	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-42.1	178.8	-77.2	1.6	0	0	0	111.6	R677 S678 L679 M683 L684 E685 F700 E701 L702 K703	R677-N681 WeakPolarHBondContact O-CB 3.45Å; R677-N681 PolarHBondContact O-N 3.19Å; S678-N681 PolarHBondContact O-N 3.47Å; L679-N681 PolarHBondContact O-N 2.9Å; N681-M683 VanDerWaalsContact C-N 3.31Å; N681-M683 PolarHBondContact O-N 3.33Å; N681-L684 PolarHBondContact O-N 3.22Å; N681-E685 WeakPolarHBondContact O-CG 3.36Å; N681-E685 PolarHBondContact O-N 3.05Å; N681-E685 VanDerWaalsContact O-N 3.1Å; N681-F700 WeakPolarHBondContact ND2-CD2 3.48Å; N681-E701 PolarHBondContact ND2-O 3.46Å; N681-L702 WeakPolarHBondContact OD1-CA 3.45Å; N681-K703 HydrophobicContact CB-CD 4.15Å; N681-K703 HydrophobicContact CB-CG 4.38Å; N681-K703 PolarHBondContact OD1-N 3.2Å
682	N	96.9	Very high	94.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-34.6	-179.8	-145.9	-127.5	0	0	0	112.1	Q639 P640 F641 S678 L679 W680 L684 E685 K690 T691	Q639-N682 WeakPolarHBondContact CA-OD1 3.42Å; Q639-N682 PolarHBondContact OE1-O 2.87Å; Q639-N682 PolarHBondContact OE1-OD1 3.01Å; P640-N682 WeakPolarHBondContact CD-OD1 3.21Å; F641-N682 HydrophobicContact CD1-CB 4.32Å; S678-N682 VanDerWaalsContact O-CB 3.25Å; S678-N682 WeakPolarHBondContact O-CB 3.28Å; S678-N682 PolarHBondContact O-N 3.24Å; L679-N682 PolarHBondContact O-N 3.04Å; W680-N682 VanDerWaalsContact C-N 3.33Å; W680-N682 PolarHBondContact O-N 3.24Å; N682-L684 PolarHBondContact O-N 2.03Å; N682-E685 PolarHBondContact ND2-OE2 3.22Å; N682-E685 PolarHBondContact O-N 3.22Å; N682-K690 PolarHBondContact O-NZ 3.08Å; N682-T691 PolarHBondContact ND2-N 2.64Å; N682-T691 PolarHBondContact ND2-O 2.81Å
683	M	97.8	Very high	94.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-27.4	171.9	-75.4	179.2	64.6	0	0	113.6	L451 L516 N562 L679 W680 N681 I712 R713	L451-M683 HydrophobicContact CD1-SD 4.15Å; L451-M683 HydrophobicContact CD2-SD 4.45Å; L516-M683 HydrophobicContact CD1-CE 3.75Å; L516-M683 HydrophobicContact CD2-CE 3.7Å; L516-M683 HydrophobicContact CD2-SD 4.25Å; L516-M683 HydrophobicContact CG-CE 4.4Å; N562-M683 PolarHBondContact ND2-SD 2.91Å; L679-M683 HydrophobicContact CD1-CG 4.21Å; L679-M683 HydrophobicContact CD1-SD 4.46Å; L679-M683 HydrophobicContact CG-SD 4.39Å; L679-M683 WeakPolarHBondContact O-CG 3.4Å; L679-M683 PolarHBondContact O-N 3.18Å; W680-M683 WeakPolarHBondContact O-CB 3.28Å; W680-M683 PolarHBondContact O-N 2.95Å; N681-M683 VanDerWaalsContact C-N 3.31Å; N681-M683 PolarHBondContact O-N 3.33Å; M683-I712 HydrophobicContact CB-CG2 4.26Å; M683-I712 HydrophobicContact CE-CD1 3.89Å; M683-I712 HydrophobicContact CE-CG1 4.38Å; M683-I712 HydrophobicContact CE-CG2 3.84Å; M683-R713 PolarHBondContact O-N 3.33Å
684	L	95.9	Very high	94.4	Very high	20 Å²	20	25.9 Å²	25.9	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-96.1	-6.6	179.3	-61.3	179.2	0	0	0	113.5	W680 N681 N682 K703 R713	W680-L684 HydrophobicContact CZ2-CD1 3.94Å; W680-L684 PolarHBondContact O-N 3.27Å; N681-L684 PolarHBondContact O-N 3.22Å; N682-L684 PolarHBondContact O-N 2.03Å; L684-K703 HydrophobicContact CD1-CB 4.03Å; L684-K703 WeakPolarHBondContact CD1-O 3.46Å; L684-R713 VanDerWaalsContact C-CG 3.46Å; L684-R713 WeakPolarHBondContact O-CG 3.37Å
685	E	95.5	Very high	94.1	Very high	10 Å²	10	28 Å²	28	5%	0.047	18%	0.178	C	C	.	.	S	Bend	trans	-83.7	133.3	176.8	-77.4	160.6	-173.8	0	0	112.1	N681 N682 K690 T691 K703 R713	N681-E685 WeakPolarHBondContact O-CG 3.36Å; N681-E685 PolarHBondContact O-N 3.05Å; N681-E685 VanDerWaalsContact O-N 3.1Å; N682-E685 PolarHBondContact ND2-OE2 3.22Å; N682-E685 PolarHBondContact O-N 3.22Å; E685-K690 HydrophobicContact CB-CG 4.14Å; E685-K690 PolarHBondContact O-NZ 2.95Å; E685-K690 WeakPolarHBondContact OE2-CA 2.92Å; E685-T691 PolarHBondContact OE1-OG1 3.1Å; E685-T691 PolarHBondContact OE2-N 3.25Å; E685-K703 HydrophobicContact CG-CD 4.37Å; E685-K703 IonicContact OE1-NZ 2.89Å; E685-K703 PolarHBondContact OE1-NZ 3.34Å; E685-R713 WeakPolarHBondContact O-CB 3.29Å; E685-R713 WeakPolarHBondContact O-CG 3.42Å
686	P	93.4	Very high	93.5	Very high	48 Å²	48	28.6 Å²	28.6	31%	0.312	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-62	145.8	179.6	26.2	-32.5	0	0	0	111.2	S689 K690	P686-S689 CarbonylContact O-C 3.59Å; P686-S689 PolarHBondContact O-N 3.17Å; P686-S689 VanDerWaalsContact O-N 3.1Å; P686-K690 PolarHBondContact O-N 3.32Å
687	L	91.6	Very high	92.7	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.105	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	145	175.3	-82.9	71.1	0	0	0	110.4	V637 S689 R713 S718 Y720	V637-L687 HydrophobicContact CG1-CD1 4.27Å; L687-S689 PolarHBondContact O-N 3.39Å; L687-R713 HydrophobicContact CD1-CB 4.34Å; L687-S718 PolarHBondContact N-OG 3.4Å; L687-S718 VanDerWaalsContact N-OG 3.15Å; L687-Y720 HydrophobicContact CB-CD1 4.18Å; L687-Y720 HydrophobicContact CB-CD2 4.16Å; L687-Y720 HydrophobicContact CB-CG 3.82Å; L687-Y720 HydrophobicContact CD2-CD1 4.4Å
688	G	86.4	Confident	91.9	Very high	63 Å²	63	31.6 Å²	31.6	65%	0.649	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-8.9	-169.9	0	0	0	0	0	114.9
689	S	92.2	Very high	91	Very high	86 Å²	86	37.6 Å²	37.6	60%	0.601	24%	0.244	S	C	*	.	S	Bend	trans	-137.7	23.9	176.4	-57.7	0	0	0	0	113	P686 L687	P686-S689 CarbonylContact O-C 3.59Å; P686-S689 PolarHBondContact O-N 3.17Å; P686-S689 VanDerWaalsContact O-N 3.1Å; L687-S689 PolarHBondContact O-N 3.39Å
690	K	94.8	Very high	90.3	Very high	26 Å²	26	39.8 Å²	39.8	11%	0.113	25%	0.254	C	S	.	.			trans	-67.4	137.3	172	-68.4	-169.2	-179.4	-60.9	0	110.2	I638 P640 N682 E685 P686 S692	I638-K690 WeakPolarHBondContact O-CD 3.3Å; P640-K690 HydrophobicContact CG-CB 4.03Å; N682-K690 PolarHBondContact O-NZ 3.08Å; E685-K690 HydrophobicContact CB-CG 4.14Å; E685-K690 PolarHBondContact O-NZ 2.95Å; E685-K690 WeakPolarHBondContact OE2-CA 2.92Å; P686-K690 PolarHBondContact O-N 3.32Å; K690-S692 PolarHBondContact O-N 3.13Å
691	T	95.1	Very high	89.8	Confident	57 Å²	57	47.2 Å²	47.2	35%	0.35	29%	0.289	S	S	.	.			trans	-61.4	125.6	172	-69.8	0	0	0	0	109.7	F641 N682 E685 S693	F641-T691 WeakPolarHBondContact CA-O 3.46Å; F641-T691 PolarHBondContact N-O 3.22Å; N682-T691 PolarHBondContact ND2-N 2.64Å; N682-T691 PolarHBondContact ND2-O 2.81Å; E685-T691 PolarHBondContact OE1-OG1 3.1Å; E685-T691 PolarHBondContact OE2-N 3.25Å; T691-S693 WeakPolarHBondContact CG2-O 3.45Å
692	S	93.8	Very high	89.6	Confident	36 Å²	36	47 Å²	47	25%	0.252	29%	0.288	S	S	.	.			trans	-111.7	-9.1	176.7	66	0	0	0	0	113.8	P640 R643 D644 K690	P640-S692 CarbonylContact O-C 3.45Å; P640-S692 VanDerWaalsContact O-CA 3.25Å; P640-S692 WeakPolarHBondContact O-CA 3Å; R643-S692 WeakPolarHBondContact CB-O 2.93Å; R643-S692 PolarHBondContact N-O 3.12Å; D644-S692 PolarHBondContact N-O 3.27Å; K690-S692 PolarHBondContact O-N 3.13Å
693	S	90.4	Very high	89.4	Confident	73 Å²	73	51.3 Å²	51.3	51%	0.51	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.2	179.4	-174.6	0	0	0	0	110.6	D644 T691	D644-S693 CarbonylContact O-C 3.47Å; D644-S693 VanDerWaalsContact O-CA 3.22Å; D644-S693 WeakPolarHBondContact O-CA 3.47Å; T691-S693 WeakPolarHBondContact CG2-O 3.45Å
694	Q	88.6	Confident	89.1	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	-179.7	-171.8	64.7	62.2	0	0	111.2	F641 D644 I645 A646 V674 S678 F696	F641-Q694 VanDerWaalsContact O-CB 3.25Å; F641-Q694 WeakPolarHBondContact O-CB 3.32Å; D644-Q694 PolarHBondContact O-N 3.21Å; I645-Q694 WeakPolarHBondContact CA-O 3.5Å; A646-Q694 PolarHBondContact N-O 3.01Å; A646-Q694 VanDerWaalsContact N-O 3.07Å; V674-Q694 HydrophobicContact CG1-CG 4.25Å; S678-Q694 PolarHBondContact OG-OE1 3.33Å; Q694-F696 HydrophobicContact CB-CD2 4.45Å; Q694-F696 HydrophobicContact CB-CE2 4.19Å; Q694-F696 HydrophobicContact CG-CD2 3.82Å; Q694-F696 HydrophobicContact CG-CE2 3.7Å
695	D	86.1	Confident	88.7	Confident	58 Å²	58	53.4 Å²	53.4	31%	0.31	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123	163.1	177.1	8	0	0	0	108.4	A646 D697 S698	A646-D695 HydrophobicContact CB-CB 4.43Å; D695-D697 VanDerWaalsContact C-N 3.34Å; D695-D697 PolarHBondContact OD1-N 3.11Å; D695-S698 WeakPolarHBondContact OD2-CB 3.09Å; D695-S698 PolarHBondContact OD2-OG 3.24Å
696	F	84.9	Confident	88.2	Confident	14 Å²	14	56.6 Å²	56.6	6%	0.061	34%	0.343	C	S	.	.	S	Bend	trans	-79.2	-18.1	-176.9	-84.9	-122.9	0	0	0	112.7	L642 I645 P648 Y659 A671 V674 M675 Q694	L642-F696 HydrophobicContact CD2-CZ 4.41Å; I645-F696 HydrophobicContact CG2-CD2 3.94Å; I645-F696 HydrophobicContact CG2-CE2 3.8Å; P648-F696 HydrophobicContact CB-CB 4.34Å; P648-F696 HydrophobicContact CG-CB 4.37Å; Y659-F696 HydrophobicContact CD1-CB 4.45Å; Y659-F696 HydrophobicContact CD1-CD1 4.19Å; Y659-F696 HydrophobicContact CE1-CB 4.16Å; Y659-F696 HydrophobicContact CE1-CD1 4.46Å; Y659-F696 PolarHBondContact OH-O 3.44Å; Y659-F696 VanDerWaalsContact OH-O 3.07Å; A671-F696 HydrophobicContact CB-CD1 4.13Å; A671-F696 HydrophobicContact CB-CE1 3.91Å; V674-F696 HydrophobicContact CB-CD1 3.88Å; V674-F696 HydrophobicContact CB-CE1 3.99Å; V674-F696 HydrophobicContact CB-CG 4.45Å; V674-F696 HydrophobicContact CG1-CD1 3.88Å; V674-F696 HydrophobicContact CG1-CD2 4.23Å; V674-F696 HydrophobicContact CG1-CE1 4.03Å; V674-F696 HydrophobicContact CG1-CE2 4.36Å; V674-F696 HydrophobicContact CG1-CG 3.98Å; V674-F696 HydrophobicContact CG1-CZ 4.27Å; V674-F696 HydrophobicContact CG2-CD1 4.24Å; M675-F696 HydrophobicContact CG-CE1 4.22Å; M675-F696 HydrophobicContact CG-CZ 4.01Å; Q694-F696 HydrophobicContact CB-CD2 4.45Å; Q694-F696 HydrophobicContact CB-CE2 4.19Å; Q694-F696 HydrophobicContact CG-CD2 3.82Å; Q694-F696 HydrophobicContact CG-CE2 3.7Å
697	D	79.8	Confident	87.7	Confident	60 Å²	60	60.6 Å²	60.6	32%	0.321	36%	0.361	S	S	.	.	S	Bend	trans	-89.7	-21.3	177.5	-78.3	-24.2	0	0	0	113.8	P648 R649 Y659 D695 P699	P648-D697 WeakPolarHBondContact CA-OD2 3.39Å; P648-D697 VanDerWaalsContact CB-CG 3.45Å; P648-D697 WeakPolarHBondContact CB-OD1 3.38Å; P648-D697 WeakPolarHBondContact CB-OD2 3.15Å; R649-D697 PolarHBondContact N-OD2 3.22Å; Y659-D697 WeakPolarHBondContact CE2-OD1 3.47Å; Y659-D697 PolarHBondContact OH-OD1 2.77Å; D695-D697 VanDerWaalsContact C-N 3.34Å; D695-D697 PolarHBondContact OD1-N 3.11Å; D697-P699 WeakPolarHBondContact O-CD 3.36Å
698	S	79.5	Confident	87.3	Confident	58 Å²	58	66.9 Å²	66.9	41%	0.406	40%	0.395	S	S	.	.	S	Bend	trans	-74	122.8	-179.3	-79.8	0	0	0	0	111.4	D695 F700	D695-S698 WeakPolarHBondContact OD2-CB 3.09Å; D695-S698 PolarHBondContact OD2-OG 3.24Å; S698-F700 WeakPolarHBondContact O-CD1 3.41Å
699	P	76.9	Confident	87.3	Confident	129 Å²	129	65.6 Å²	65.6	84%	0.838	38%	0.376	S	S	*	.			trans	-71.5	131.4	174.9	28.6	-32.8	0	0	0	110.8	D697	D697-P699 WeakPolarHBondContact O-CD 3.36Å
700	F	83.1	Confident	87.3	Confident	47 Å²	47	62.1 Å²	62.1	21%	0.206	35%	0.351	C	S	.	.			trans	-142.8	138.7	175	65.2	-89.1	0	0	0	112.4	V674 R677 S678 N681 S698	V674-F700 HydrophobicContact CG1-CE1 4.06Å; V674-F700 HydrophobicContact CG1-CZ 4.28Å; R677-F700 HydrophobicContact CB-CE2 3.61Å; R677-F700 HydrophobicContact CB-CZ 3.73Å; R677-F700 PolarHBondContact NH2-O 3.35Å; S678-F700 WeakPolarHBondContact OG-CZ 3.49Å; N681-F700 WeakPolarHBondContact ND2-CD2 3.48Å; S698-F700 WeakPolarHBondContact O-CD1 3.41Å
701	E	86.9	Confident	87.4	Confident	157 Å²	157	63.7 Å²	63.7	73%	0.734	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-79.8	156.9	-176.4	-64.5	-176.7	175.5	0	0	113.2	N681 K703	N681-E701 PolarHBondContact ND2-O 3.46Å; E701-K703 PolarHBondContact O-N 2.9Å
702	L	92.5	Very high	87.4	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.7	128.3	170.7	-71.9	-179.4	0	0	0	109.8	T377 L379 L445 I454 R677 W680 N681	T377-L702 HydrophobicContact CG2-CD1 3.49Å; T377-L702 VanDerWaalsContact CG2-CD1 3.49Å; T377-L702 HydrophobicContact CG2-CG 3.68Å; L379-L702 HydrophobicContact CD1-CB 3.87Å; L379-L702 HydrophobicContact CD1-CD1 3.79Å; L379-L702 HydrophobicContact CD1-CG 4.49Å; L445-L702 HydrophobicContact CD2-CD1 4.49Å; I454-L702 HydrophobicContact CD1-CD1 4.01Å; I454-L702 HydrophobicContact CD1-CD2 4.14Å; I454-L702 HydrophobicContact CG1-CD1 4.12Å; R677-L702 HydrophobicContact CB-CD2 3.75Å; R677-L702 HydrophobicContact CG-CD2 3.75Å; R677-L702 HydrophobicContact CG-CG 4.43Å; W680-L702 HydrophobicContact CB-CD2 4.17Å; W680-L702 HydrophobicContact CG-CD2 4.11Å; N681-L702 WeakPolarHBondContact OD1-CA 3.45Å
703	K	91.9	Very high	87.5	Confident	91 Å²	91	61.8 Å²	61.8	40%	0.396	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-70.1	148.9	175.1	-71	-179.9	175.4	176.2	0	110.6	W680 N681 L684 E685 E701	W680-K703 PolarHBondContact NE1-O 3.38Å; N681-K703 HydrophobicContact CB-CD 4.15Å; N681-K703 HydrophobicContact CB-CG 4.38Å; N681-K703 PolarHBondContact OD1-N 3.2Å; L684-K703 HydrophobicContact CD1-CB 4.03Å; L684-K703 WeakPolarHBondContact CD1-O 3.46Å; E685-K703 HydrophobicContact CG-CD 4.37Å; E685-K703 IonicContact OE1-NZ 2.89Å; E685-K703 PolarHBondContact OE1-NZ 3.34Å; E701-K703 PolarHBondContact O-N 2.9Å
704	C	91.8	Very high	87.8	Confident	43 Å²	43	58.3 Å²	58.3	29%	0.291	32%	0.315	S	S	.	.			trans	-119.1	142.8	174.4	-65.9	0	0	0	0	110.2	C381	C381-C704 WeakPolarHBondContact CA-SG 3.24Å; C381-C704 HydrophobicContact CB-CB 3.72Å; C381-C704 WeakPolarHBondContact CB-SG 3.38Å; C381-C704 PolarHBondContact N-SG 2.94Å; C381-C704 WeakPolarHBondContact SG-CA 3.27Å; C381-C704 WeakPolarHBondContact SG-CB 3.14Å; C381-C704 CovalentContact SG-SG 2.03Å; C381-C704 PolarHBondContact SG-SG 3.5Å
705	S	87.4	Confident	88	Confident	22 Å²	22	59.9 Å²	59.9	15%	0.154	32%	0.321	C	S	.	.			trans	-65.1	141.5	169.3	52.9	0	0	0	0	110.2
706	T	85.1	Confident	88.3	Confident	78 Å²	78	63.2 Å²	63.2	48%	0.479	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-104.9	166.6	175.4	63.1	0	0	0	0	110.4	D708 S709 P710	T706-D708 PolarHBondContact O-N 3.25Å; T706-S709 PolarHBondContact N-O 3.28Å; T706-S709 CarbonylContact O-C 3.57Å; T706-S709 PolarHBondContact O-N 3.13Å; T706-S709 PolarHBondContact OG1-N 2.81Å; T706-P710 WeakPolarHBondContact O-CA 3.19Å
707	N	82.4	Confident	88.7	Confident	131 Å²	131	63.9 Å²	63.9	70%	0.701	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.6	174.8	-73.4	-22.1	0	0	0	112.8	S709	N707-S709 VanDerWaalsContact C-N 3.31Å
708	D	83.8	Confident	89.3	Confident	153 Å²	153	62 Å²	62	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13	177.9	-58.1	-35.3	0	0	0	112.9	T706	T706-D708 PolarHBondContact O-N 3.25Å
709	S	87.2	Confident	89.7	Confident	35 Å²	35	66.6 Å²	66.6	25%	0.245	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-150.4	68	179.8	-70.2	0	0	0	0	110.7	T706 N707 F711 R713	T706-S709 PolarHBondContact N-O 3.28Å; T706-S709 CarbonylContact O-C 3.57Å; T706-S709 PolarHBondContact O-N 3.13Å; T706-S709 PolarHBondContact OG1-N 2.81Å; N707-S709 VanDerWaalsContact C-N 3.31Å; S709-F711 VanDerWaalsContact C-N 3.26Å; S709-F711 PolarHBondContact O-N 3.28Å; S709-R713 PolarHBondContact OG-NH2 2.87Å
710	P	92.4	Very high	90.2	Very high	13 Å²	13	63 Å²	63	8%	0.084	32%	0.318	C	S	.	.			trans	-79.1	-8.7	-171.3	31.5	-35.7	0	0	0	113.5	R398 T706	R398-P710 HydrophobicContact CG-CB 4.44Å; T706-P710 WeakPolarHBondContact O-CA 3.19Å
711	F	95.3	Very high	90.1	Very high	60 Å²	60	68.6 Å²	68.6	26%	0.263	35%	0.347	S	S	.	.	S	Bend	trans	-102	152.6	-167.9	-50.4	-55.2	0	0	0	113.2	E396 L397 R398 S709	E396-F711 HydrophobicContact CB-CD1 4.47Å; E396-F711 HydrophobicContact CB-CE1 4.07Å; E396-F711 HydrophobicContact CB-CZ 4.24Å; E396-F711 HydrophobicContact CG-CZ 4.42Å; E396-F711 WeakPolarHBondContact O-CD1 3.39Å; E396-F711 WeakPolarHBondContact O-CE1 2.97Å; L397-F711 CarbonylContact O-C 3.53Å; L397-F711 WeakPolarHBondContact O-CA 3.27Å; R398-F711 HydrophobicContact CG-CD1 4Å; R398-F711 HydrophobicContact CG-CE1 4.19Å; S709-F711 VanDerWaalsContact C-N 3.26Å; S709-F711 PolarHBondContact O-N 3.28Å
712	I	96.5	Very high	89.8	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.01	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-60.3	135.5	163.5	-59.7	170.7	0	0	0	108.3	L397 P399 I402 L560 M683 T714 N717	L397-I712 HydrophobicContact CB-CD1 4.49Å; L397-I712 PolarHBondContact O-N 2.86Å; P399-I712 HydrophobicContact CG-CG1 4.43Å; I402-I712 HydrophobicContact CD1-CD1 4.23Å; I402-I712 HydrophobicContact CG1-CD1 4.09Å; L560-I712 HydrophobicContact CD1-CB 4.21Å; L560-I712 HydrophobicContact CD1-CG2 3.61Å; M683-I712 HydrophobicContact CB-CG2 4.26Å; M683-I712 HydrophobicContact CE-CD1 3.89Å; M683-I712 HydrophobicContact CE-CG1 4.38Å; M683-I712 HydrophobicContact CE-CG2 3.84Å; I712-T714 PolarHBondContact O-N 3.42Å; I712-N717 PolarHBondContact O-ND2 3.25Å
713	R	96.1	Very high	88.4	Confident	50 Å²	50	66.5 Å²	66.5	19%	0.189	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-79.4	125.7	-169.7	-67.3	-68.9	-165.9	175.1	0.6	112.3	M683 L684 E685 L687 S709 N717	M683-R713 PolarHBondContact O-N 3.33Å; L684-R713 VanDerWaalsContact C-CG 3.46Å; L684-R713 WeakPolarHBondContact O-CG 3.37Å; E685-R713 WeakPolarHBondContact O-CB 3.29Å; E685-R713 WeakPolarHBondContact O-CG 3.42Å; L687-R713 HydrophobicContact CD1-CB 4.34Å; S709-R713 PolarHBondContact OG-NH2 2.87Å; R713-N717 WeakPolarHBondContact CA-OD1 3.22Å; R713-N717 PolarHBondContact NH1-O 3.45Å
714	T	95.4	Very high	86.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.361	C	S	.	.			trans	-129.1	171.3	176	62.3	0	0	0	0	108.5	H395 L560 T635 V637 I712 K716 N717 S718	H395-T714 WeakPolarHBondContact ND1-CB 3.42Å; H395-T714 PolarHBondContact ND1-OG1 3.02Å; L560-T714 HydrophobicContact CD1-CG2 4.29Å; T635-T714 HydrophobicContact CG2-CG2 3.89Å; V637-T714 HydrophobicContact CG2-CG2 4.37Å; I712-T714 PolarHBondContact O-N 3.42Å; T714-K716 VanDerWaalsContact C-N 3.28Å; T714-K716 PolarHBondContact O-N 2.89Å; T714-N717 PolarHBondContact N-OD1 3.35Å; T714-N717 PolarHBondContact O-N 2.92Å; T714-N717 PolarHBondContact O-OD1 2.8Å; T714-N717 VanDerWaalsContact O-OD1 3.06Å; T714-N717 PolarHBondContact OG1-ND2 3.34Å; T714-N717 PolarHBondContact OG1-OD1 3.27Å; T714-S718 VanDerWaalsContact O-CB 3.29Å; T714-S718 WeakPolarHBondContact O-CB 3.43Å; T714-S718 PolarHBondContact O-N 2.81Å; T714-S718 VanDerWaalsContact O-N 3.16Å; T714-S718 PolarHBondContact O-OG 3.4Å
715	Y	92.3	Very high	84.4	Confident	51 Å²	51	69.8 Å²	69.8	20%	0.2	38%	0.382	C	S	.	.	S	Bend	trans	-56	-44.7	-178.3	81.2	-83.1	0	0	0	112.4	H395 D629 S718 D719 Y720 Y722	H395-Y715 AromaticContact CE1-CD1 3.87Å; H395-Y715 AromaticContact CE1-CE1 3.32Å; H395-Y715 WeakPolarHBondContact CE1-CE1 3.46Å; H395-Y715 AromaticContact NE2-CE1 3.79Å; D629-Y715 HydrophobicContact CB-CD1 3.87Å; D629-Y715 HydrophobicContact CB-CE1 3.32Å; D629-Y715 PolarHBondContact O-OH 2.91Å; D629-Y715 WeakPolarHBondContact OD1-CD1 3.16Å; D629-Y715 WeakPolarHBondContact OD1-CE1 3.22Å; Y715-S718 PolarHBondContact O-N 3.07Å; Y715-D719 PolarHBondContact O-N 3.13Å; Y715-Y720 PolarHBondContact O-N 3.31Å; Y715-Y722 WeakPolarHBondContact CB-OH 3.29Å; Y715-Y722 HydrophobicContact CD1-CE2 4.35Å; Y715-Y722 HydrophobicContact CD2-CE2 4.05Å; Y715-Y722 AromaticContact CG-CE2 3.85Å; Y715-Y722 HydrophobicContact CG-CE2 3.85Å
716	K	92.5	Very high	82.2	Confident	127 Å²	127	73.9 Å²	73.9	55%	0.552	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-68	-42.4	-174	-166.1	178.1	-175.4	178.4	0	113.3	H395 T714 S718	H395-K716 HydrophobicContact CB-CB 4.23Å; H395-K716 HydrophobicContact CB-CD 4.31Å; H395-K716 WeakPolarHBondContact CD2-CD 3.22Å; T714-K716 VanDerWaalsContact C-N 3.28Å; T714-K716 PolarHBondContact O-N 2.89Å; K716-S718 VanDerWaalsContact C-N 3.28Å
717	N	93.6	Very high	80	Confident	29 Å²	29	75.8 Å²	75.8	16%	0.155	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-89.8	7.9	-179.8	70.8	19.1	0	0	0	113.4	H395 I712 R713 T714	H395-N717 PolarHBondContact O-ND2 2.87Å; I712-N717 PolarHBondContact O-ND2 3.25Å; R713-N717 WeakPolarHBondContact CA-OD1 3.22Å; R713-N717 PolarHBondContact NH1-O 3.45Å; T714-N717 PolarHBondContact N-OD1 3.35Å; T714-N717 PolarHBondContact O-N 2.92Å; T714-N717 PolarHBondContact O-OD1 2.8Å; T714-N717 VanDerWaalsContact O-OD1 3.06Å; T714-N717 PolarHBondContact OG1-ND2 3.34Å; T714-N717 PolarHBondContact OG1-OD1 3.27Å
718	S	92.1	Very high	78	Confident	21 Å²	21	78.6 Å²	78.6	15%	0.147	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-106.3	3.4	168.8	-54.3	0	0	0	0	112.1	L687 T714 Y715 K716 Y720	L687-S718 PolarHBondContact N-OG 3.4Å; L687-S718 VanDerWaalsContact N-OG 3.15Å; T714-S718 VanDerWaalsContact O-CB 3.29Å; T714-S718 WeakPolarHBondContact O-CB 3.43Å; T714-S718 PolarHBondContact O-N 2.81Å; T714-S718 VanDerWaalsContact O-N 3.16Å; T714-S718 PolarHBondContact O-OG 3.4Å; Y715-S718 PolarHBondContact O-N 3.07Å; K716-S718 VanDerWaalsContact C-N 3.28Å; S718-Y720 PolarHBondContact O-N 2.93Å; S718-Y720 VanDerWaalsContact O-N 3.14Å
719	D	88.3	Confident	76.4	Confident	154 Å²	154	77.1 Å²	77.1	82%	0.824	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.1	-169.2	-60.9	-42	0	0	0	112.7	Y715	Y715-D719 PolarHBondContact O-N 3.13Å
720	Y	87.6	Confident	74.5	Confident	53 Å²	53	82.4 Å²	82.4	21%	0.208	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-88.7	124	-176.4	-172.7	-100.5	0	0	0	110.1	E624 L687 Y715 S718 Y722	E624-Y720 VanDerWaalsContact CD-OH 3.3Å; E624-Y720 WeakPolarHBondContact OE1-CE1 3.43Å; E624-Y720 PolarHBondContact OE1-OH 3.24Å; E624-Y720 WeakPolarHBondContact OE2-CE1 3.43Å; E624-Y720 PolarHBondContact OE2-OH 3.28Å; L687-Y720 HydrophobicContact CB-CD1 4.18Å; L687-Y720 HydrophobicContact CB-CD2 4.16Å; L687-Y720 HydrophobicContact CB-CG 3.82Å; L687-Y720 HydrophobicContact CD2-CD1 4.4Å; Y715-Y720 PolarHBondContact O-N 3.31Å; S718-Y720 PolarHBondContact O-N 2.93Å; S718-Y720 VanDerWaalsContact O-N 3.14Å; Y720-Y722 HydrophobicContact CD1-CD1 4.09Å; Y720-Y722 HydrophobicContact CD1-CE1 4.11Å; Y720-Y722 AromaticContact CE1-CD1 3.64Å; Y720-Y722 HydrophobicContact CE1-CD1 3.64Å; Y720-Y722 AromaticContact CE1-CE1 3.88Å; Y720-Y722 HydrophobicContact CE1-CE1 3.88Å; Y720-Y722 HydrophobicContact CE1-CG 4.47Å
721	M	82.2	Confident	73.1	Confident	164 Å²	164	87 Å²	87	81%	0.808	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-100.8	117.8	171.8	-72.7	-67.5	-63	0	0	108.3	S723	M721-S723 PolarHBondContact O-N 2.75Å
722	Y	78.5	Confident	72.2	Confident	43 Å²	43	88 Å²	88	17%	0.169	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-53.1	137.8	171.8	-69.6	-58.8	0	0	0	110.6	E624 D629 Y715 Y720 A724	E624-Y722 HydrophobicContact CB-CD1 4.36Å; E624-Y722 WeakPolarHBondContact O-CB 3.41Å; E624-Y722 WeakPolarHBondContact O-CD1 3.35Å; E624-Y722 WeakPolarHBondContact OE2-CD1 3.44Å; D629-Y722 HydrophobicContact CB-CE2 4.38Å; D629-Y722 WeakPolarHBondContact OD2-CE2 3.48Å; D629-Y722 PolarHBondContact OD2-OH 3.4Å; Y715-Y722 WeakPolarHBondContact CB-OH 3.29Å; Y715-Y722 HydrophobicContact CD1-CE2 4.35Å; Y715-Y722 HydrophobicContact CD2-CE2 4.05Å; Y715-Y722 AromaticContact CG-CE2 3.85Å; Y715-Y722 HydrophobicContact CG-CE2 3.85Å; Y720-Y722 HydrophobicContact CD1-CD1 4.09Å; Y720-Y722 HydrophobicContact CD1-CE1 4.11Å; Y720-Y722 AromaticContact CE1-CD1 3.64Å; Y720-Y722 HydrophobicContact CE1-CD1 3.64Å; Y720-Y722 AromaticContact CE1-CE1 3.88Å; Y720-Y722 HydrophobicContact CE1-CE1 3.88Å; Y720-Y722 HydrophobicContact CE1-CG 4.47Å; Y722-A724 PolarHBondContact O-N 2.95Å
723	S	64.2	Low	71.4	Confident	77 Å²	77	94 Å²	94	54%	0.538	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-50.3	137.3	169.8	-13.4	0	0	0	0	109.2	M721	M721-S723 PolarHBondContact O-N 2.75Å
724	A	53.1	Low	71.1	Confident	91 Å²	91	93.4 Å²	93.4	75%	0.752	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-51.4	129.2	176.8	0	0	0	0	0	108.8	Y722 S726	Y722-A724 PolarHBondContact O-N 2.95Å; A724-S726 PolarHBondContact O-N 2.98Å
725	P	47.5	Very low	70.9	Confident	111 Å²	111	96.1 Å²	96.1	72%	0.721	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-53.4	133.9	-179.5	16.3	-27.7	0	0	0	108.8
726	S	40.8	Very low	71	Confident	109 Å²	109	93.7 Å²	93.7	76%	0.762	53%	0.53	S	S	*	.			trans	-43.6	133.2	167.9	-52.4	0	0	0	0	108.1	A724 K728	A724-S726 PolarHBondContact O-N 2.98Å; S726-K728 PolarHBondContact O-N 3.39Å
727	P	38.9	Very low	71.1	Confident	118 Å²	118	87.8 Å²	87.8	77%	0.766	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-47.5	132	-178	-21.9	26.9	0	0	0	109.3	P729	P727-P729 VanDerWaalsContact O-N 3.15Å
728	K	39.3	Very low	71.1	Confident	190 Å²	190	90 Å²	90	83%	0.826	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-50	128.6	170.2	-80.3	-175.8	178.5	179.7	0	106.8	S726 D730	S726-K728 PolarHBondContact O-N 3.39Å; K728-D730 PolarHBondContact O-N 3Å
729	P	50.5	Low	71.1	Confident	122 Å²	122	91.1 Å²	91.1	79%	0.792	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-50.7	134.4	174.9	-22.8	30.4	0	0	0	108.5	P727	P727-P729 VanDerWaalsContact O-N 3.15Å
730	D	47.8	Very low	71.2	Confident	145 Å²	145	87.8 Å²	87.8	78%	0.775	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-52.6	151.2	173.8	-75.6	-41.8	0	0	0	109.8	K728 I732	K728-D730 PolarHBondContact O-N 3Å; D730-I732 PolarHBondContact O-N 3.09Å; D730-I732 VanDerWaalsContact O-N 3.11Å
731	P	63.5	Low	71.3	Confident	110 Å²	110	85.7 Å²	85.7	71%	0.714	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-51.5	124.1	175.7	-22.2	31.3	0	0	0	109.9	T733	P731-T733 WeakPolarHBondContact O-CG2 3.37Å; P731-T733 PolarHBondContact O-N 2.84Å
732	I	75	Confident	71.3	Confident	82 Å²	82	85.7 Å²	85.7	42%	0.421	50%	0.504	S	S	.	.			trans	-63.2	114.9	179.3	-59.3	163.7	0	0	0	107.9	D730 N734 W735 H1051	D730-I732 PolarHBondContact O-N 3.09Å; D730-I732 VanDerWaalsContact O-N 3.11Å; I732-N734 WeakPolarHBondContact CG2-O 3.48Å; I732-W735 HydrophobicContact CB-CH2 4.43Å; I732-W735 HydrophobicContact CB-CZ3 4.33Å; I732-W735 HydrophobicContact CD1-CH2 4.28Å; I732-W735 HydrophobicContact CD1-CZ3 3.9Å; I732-W735 HydrophobicContact CG2-CD2 4.43Å; I732-W735 HydrophobicContact CG2-CE3 3.82Å; I732-W735 HydrophobicContact CG2-CH2 4.03Å; I732-W735 HydrophobicContact CG2-CZ3 3.61Å; I732-H1051 HydrophobicContact CD1-CB 4.22Å; I732-H1051 VanDerWaalsContact CD1-CD2 3.46Å; I732-H1051 WeakPolarHBondContact CD1-CD2 3.44Å
733	T	80	Confident	71.3	Confident	128 Å²	128	86.2 Å²	86.2	79%	0.785	51%	0.51	S	S	*	.			trans	-93.9	-15.9	-176.7	55.8	0	0	0	0	113.2	P731	P731-T733 WeakPolarHBondContact O-CG2 3.37Å; P731-T733 PolarHBondContact O-N 2.84Å
734	N	89.3	Confident	72.2	Confident	37 Å²	37	85.7 Å²	85.7	20%	0.198	50%	0.5	C	S	.	.			trans	-161.6	166.6	-178.5	65.8	82.7	0	0	0	110.4	I732 G736 E804 T805 R1053	I732-N734 WeakPolarHBondContact CG2-O 3.48Å; N734-G736 PolarHBondContact OD1-N 2.92Å; N734-E804 PolarHBondContact OD1-O 3.48Å; N734-T805 HydrophobicContact CB-CG2 3.89Å; N734-R1053 PolarHBondContact OD1-NH1 3.31Å
735	W	92.3	Very high	73.5	Confident	57 Å²	57	83.8 Å²	83.8	22%	0.216	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-107.4	32.2	-177.7	-53.4	112	0	0	0	112.4	I732 T805 T807 R1023 A1026 H1051	I732-W735 HydrophobicContact CB-CH2 4.43Å; I732-W735 HydrophobicContact CB-CZ3 4.33Å; I732-W735 HydrophobicContact CD1-CH2 4.28Å; I732-W735 HydrophobicContact CD1-CZ3 3.9Å; I732-W735 HydrophobicContact CG2-CD2 4.43Å; I732-W735 HydrophobicContact CG2-CE3 3.82Å; I732-W735 HydrophobicContact CG2-CH2 4.03Å; I732-W735 HydrophobicContact CG2-CZ3 3.61Å; W735-T805 PolarHBondContact N-O 3.16Å; W735-T807 PolarHBondContact O-N 2.77Å; W735-T807 PolarHBondContact O-OG1 3.14Å; W735-R1023 HydrophobicContact CD2-CB 3.73Å; W735-R1023 HydrophobicContact CD2-CG 3.89Å; W735-R1023 HydrophobicContact CE3-CB 4.01Å; W735-R1023 HydrophobicContact CE3-CG 3.61Å; W735-R1023 HydrophobicContact CG-CB 4.27Å; W735-R1023 HydrophobicContact CH2-CB 4.1Å; W735-R1023 HydrophobicContact CH2-CG 3.73Å; W735-R1023 HydrophobicContact CZ2-CB 3.81Å; W735-R1023 HydrophobicContact CZ2-CG 3.99Å; W735-R1023 HydrophobicContact CZ3-CB 4.18Å; W735-R1023 HydrophobicContact CZ3-CG 3.52Å; W735-A1026 HydrophobicContact CB-CB 3.87Å; W735-A1026 WeakPolarHBondContact O-CB 3.41Å; W735-H1051 AromaticContact CE3-CE1 3.88Å; W735-H1051 AromaticContact CE3-ND1 3.72Å; W735-H1051 HydrophobicContact CZ3-CB 4.32Å; W735-H1051 AromaticContact CZ3-CG 3.95Å
736	G	93.6	Very high	75.1	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	48%	0.479	C	S	.	.			trans	-82.7	165.9	177.1	0	0	0	0	0	113.2	N734 L803 T805 T807 R1053	N734-G736 PolarHBondContact OD1-N 2.92Å; G736-L803 CarbonylContact C-O 3.26Å; G736-L803 WeakPolarHBondContact CA-O 3.45Å; G736-T805 VanDerWaalsContact CA-C 3.49Å; G736-T805 PolarHBondContact N-O 2.95Å; G736-T807 WeakPolarHBondContact CA-OG1 3.49Å; G736-R1053 PolarHBondContact O-NH1 3.16Å
737	S	94.6	Very high	77.4	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.014	45%	0.45	C	S	.	.			trans	-120.3	152.2	-178.5	-60.5	0	0	0	0	111.4	L803 E804 T807 R1053 I1056	S737-L803 PolarHBondContact N-O 3.37Å; S737-E804 WeakPolarHBondContact O-CA 3.34Å; S737-T807 WeakPolarHBondContact CB-OG1 3.3Å; S737-T807 PolarHBondContact N-OG1 3.03Å; S737-T807 PolarHBondContact OG-OG1 3.02Å; S737-R1053 CarbonylContact C-O 3.51Å; S737-R1053 WeakPolarHBondContact CA-O 3Å; S737-R1053 WeakPolarHBondContact CB-O 3.45Å; S737-I1056 VanDerWaalsContact CB-CD1 3.42Å
738	D	93.9	Very high	79.6	Confident	77 Å²	77	83 Å²	83	41%	0.412	46%	0.459	S	S	.	.			trans	-86.5	147.2	171.2	-58.8	-21.7	0	0	0	108.8	R1053	D738-R1053 HydrophobicContact CB-CB 4.31Å; D738-R1053 PolarHBondContact N-O 2.9Å; D738-R1053 IonicContact OD1-CZ 3.46Å; D738-R1053 IonicContact OD1-NE 2.68Å; D738-R1053 PolarHBondContact OD1-NE 2.56Å; D738-R1053 IonicContact OD1-NH2 3.56Å; D738-R1053 PolarHBondContact OD1-NH2 3.3Å; D738-R1053 WeakPolarHBondContact OD2-CB 3.36Å; D738-R1053 IonicContact OD2-NE 2.87Å
739	F	92.8	Very high	82.1	Confident	43 Å²	43	78.3 Å²	78.3	19%	0.189	45%	0.45	C	S	.	.			trans	-127.3	110.6	-172.9	-171.8	-88.7	0	0	0	110.1	C741 L744 L803 I812 K815 F816 I1056	F739-C741 HydrophobicContact CD1-CB 4.39Å; F739-C741 HydrophobicContact CE1-CB 3.57Å; F739-C741 HydrophobicContact CE2-CB 4.33Å; F739-C741 HydrophobicContact CZ-CB 3.55Å; F739-L744 HydrophobicContact CE1-CD1 4.38Å; F739-L744 HydrophobicContact CE1-CD2 3.78Å; F739-L744 HydrophobicContact CZ-CD2 3.88Å; F739-L803 HydrophobicContact CB-CD2 3.8Å; F739-L803 HydrophobicContact CD2-CD2 3.71Å; F739-L803 HydrophobicContact CG-CD2 4.05Å; F739-I812 HydrophobicContact CE2-CG2 4.35Å; F739-K815 HydrophobicContact CD1-CB 4.12Å; F739-K815 HydrophobicContact CD1-CD 4.38Å; F739-K815 HydrophobicContact CD1-CG 4.08Å; F739-K815 HydrophobicContact CD2-CB 4.28Å; F739-K815 HydrophobicContact CD2-CG 3.96Å; F739-K815 HydrophobicContact CE1-CB 3.78Å; F739-K815 HydrophobicContact CE1-CG 4.24Å; F739-K815 HydrophobicContact CE2-CB 3.93Å; F739-K815 HydrophobicContact CE2-CG 4.11Å; F739-K815 HydrophobicContact CG-CB 4.36Å; F739-K815 HydrophobicContact CG-CD 4.41Å; F739-K815 HydrophobicContact CG-CG 3.93Å; F739-K815 HydrophobicContact CZ-CB 3.66Å; F739-K815 HydrophobicContact CZ-CG 4.25Å; F739-F816 AromaticContact CE2-CE2 3.78Å; F739-F816 HydrophobicContact CE2-CE2 3.78Å; F739-F816 HydrophobicContact CE2-CZ 4.17Å; F739-F816 HydrophobicContact CZ-CD2 4.3Å; F739-F816 HydrophobicContact CZ-CE1 4.46Å; F739-F816 AromaticContact CZ-CE2 3.53Å; F739-F816 HydrophobicContact CZ-CE2 3.53Å; F739-F816 AromaticContact CZ-CZ 3.63Å; F739-F816 HydrophobicContact CZ-CZ 3.63Å; F739-I1056 HydrophobicContact CD2-CG2 4.05Å; F739-I1056 HydrophobicContact CE2-CG2 4.17Å
740	S	90.1	Very high	83.9	Confident	84 Å²	84	76.4 Å²	76.4	59%	0.587	43%	0.431	S	S	*	.			trans	-111.5	12	-171.6	55	0	0	0	0	114.2	N742	S740-N742 PolarHBondContact O-N 3.33Å
741	C	89.2	Confident	86.1	Confident	10 Å²	10	70.1 Å²	70.1	7%	0.068	40%	0.398	C	S	.	.			trans	-74.7	129.4	-177.1	-51.5	0	0	0	0	112	F739 C1058	F739-C741 HydrophobicContact CD1-CB 4.39Å; F739-C741 HydrophobicContact CE1-CB 3.57Å; F739-C741 HydrophobicContact CE2-CB 4.33Å; F739-C741 HydrophobicContact CZ-CB 3.55Å; C741-C1058 WeakPolarHBondContact CA-SG 3.46Å; C741-C1058 HydrophobicContact CB-CB 3.66Å; C741-C1058 WeakPolarHBondContact CB-SG 3.35Å; C741-C1058 PolarHBondContact N-SG 2.66Å; C741-C1058 VanDerWaalsContact N-SG 3.45Å; C741-C1058 WeakPolarHBondContact SG-CA 3.27Å; C741-C1058 WeakPolarHBondContact SG-CB 3.49Å; C741-C1058 CovalentContact SG-SG 2.04Å; C741-C1058 PolarHBondContact SG-SG 2.88Å
742	N	82.6	Confident	87.6	Confident	164 Å²	164	70 Å²	70	88%	0.877	40%	0.396	S	S	*	.			trans	-90.6	-29.2	-178.1	-63.9	-38.2	0	0	0	113.1	S740 L744	S740-N742 PolarHBondContact O-N 3.33Å; N742-L744 PolarHBondContact O-N 3.21Å
743	N	77.6	Confident	88.6	Confident	54 Å²	54	66.7 Å²	66.7	29%	0.289	38%	0.38	S	S	.	.			trans	-96.6	94.1	-177.7	-169.6	0.8	0	0	0	111	A745	N743-A745 PolarHBondContact OD1-N 3.09Å
744	L	84.9	Confident	89.4	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.346	34%	0.342	S	S	.	.			trans	-109.4	9.5	178.5	-63.1	-179.4	0	0	0	112.6	F739 N742 F816	F739-L744 HydrophobicContact CE1-CD1 4.38Å; F739-L744 HydrophobicContact CE1-CD2 3.78Å; F739-L744 HydrophobicContact CZ-CD2 3.88Å; N742-L744 PolarHBondContact O-N 3.21Å; L744-F816 HydrophobicContact CD2-CD1 3.37Å; L744-F816 HydrophobicContact CD2-CD2 4.45Å; L744-F816 HydrophobicContact CD2-CE1 3.38Å; L744-F816 HydrophobicContact CD2-CE2 4.45Å; L744-F816 HydrophobicContact CD2-CG 3.95Å; L744-F816 HydrophobicContact CD2-CZ 3.95Å
745	A	79.4	Confident	89.8	Confident	50 Å²	50	60.5 Å²	60.5	41%	0.413	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.7	133.2	-169.7	0	0	0	0	0	111.5	N743	N743-A745 PolarHBondContact OD1-N 3.09Å
746	P	81.9	Confident	89.9	Confident	93 Å²	93	62.3 Å²	62.3	60%	0.604	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-61.4	158.8	172.6	27.8	-34	0	0	0	111.3	S760	P746-S760 WeakPolarHBondContact CA-OG 3.37Å
747	S	87.4	Confident	90	Very high	22 Å²	22	62.3 Å²	62.3	15%	0.154	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.1	168.2	-71.8	0	0	0	0	110.6	S749 R758 D761	S747-S749 VanDerWaalsContact CB-O 3.27Å; S747-S749 WeakPolarHBondContact CB-O 3.24Å; S747-S749 PolarHBondContact O-N 3.17Å; S747-S749 VanDerWaalsContact O-N 3.15Å; S747-R758 VanDerWaalsContact OG-CD 3.27Å; S747-R758 WeakPolarHBondContact OG-CD 3.4Å; S747-R758 WeakPolarHBondContact OG-CG 3.34Å; S747-D761 VanDerWaalsContact CB-OD1 3.24Å; S747-D761 WeakPolarHBondContact CB-OD1 3.45Å; S747-D761 WeakPolarHBondContact CB-OD2 3.5Å; S747-D761 PolarHBondContact N-OD1 3.09Å; S747-D761 VanDerWaalsContact OG-CG 3.27Å; S747-D761 PolarHBondContact OG-OD1 2.78Å; S747-D761 PolarHBondContact OG-OD2 2.54Å
748	E	86.1	Confident	90	Very high	206 Å²	206	65.1 Å²	65.1	96%	0.963	36%	0.363	S	S	*	.	S	Bend	trans	-57.6	-31.1	-178.8	-66.1	-172.1	166.2	0	0	112.7
749	S	90.9	Very high	90.1	Very high	92 Å²	92	61.6 Å²	61.6	64%	0.643	35%	0.345	S	S	*	.	S	Bend	trans	-142.3	159.6	170.3	61.7	0	0	0	0	109.4	S747 P751	S747-S749 VanDerWaalsContact CB-O 3.27Å; S747-S749 WeakPolarHBondContact CB-O 3.24Å; S747-S749 PolarHBondContact O-N 3.17Å; S747-S749 VanDerWaalsContact O-N 3.15Å; S749-P751 WeakPolarHBondContact O-CD 3.21Å
750	Q	90.1	Very high	90.2	Very high	82 Å²	82	60.2 Å²	60.2	38%	0.383	34%	0.34	S	S	.	.			trans	-60.9	122.9	178	-169.9	178.5	45	0	0	109.5	S867	Q750-S867 PolarHBondContact NE2-O 3.46Å
751	P	93.9	Very high	90.5	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.084	31%	0.314	C	S	.	.			trans	-64.9	143.5	-175	23.8	-31.8	0	0	0	110.8	S749 M756 L757 D761 W869	S749-P751 WeakPolarHBondContact O-CD 3.21Å; P751-M756 HydrophobicContact CB-CB 4.25Å; P751-L757 HydrophobicContact CG-CD2 3.62Å; P751-D761 HydrophobicContact CG-CB 3.85Å; P751-W869 WeakPolarHBondContact O-CZ2 3.29Å; P751-W869 PolarHBondContact O-NE1 3.31Å
752	T	93.9	Very high	90.9	Very high	108 Å²	108	56.3 Å²	56.3	66%	0.663	31%	0.312	S	S	*	.	S	Bend	trans	-94.3	-17.6	174.7	55.1	0	0	0	0	112.7
753	S	96.7	Very high	91.7	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-115.8	139	179.6	179.7	0	0	0	0	110.8	H755 M756 E985	S753-H755 PolarHBondContact O-N 3.25Å; S753-H755 PolarHBondContact OG-CD2 2.99Å; S753-H755 VanDerWaalsContact OG-CD2 3.26Å; S753-H755 PolarHBondContact OG-N 3.47Å; S753-M756 PolarHBondContact O-N 2.72Å; S753-M756 VanDerWaalsContact O-N 3.15Å; S753-E985 CarbonylContact C-O 3.47Å; S753-E985 VanDerWaalsContact CA-O 3.24Å; S753-E985 WeakPolarHBondContact CA-O 3.49Å; S753-E985 VanDerWaalsContact CB-OE2 3.23Å; S753-E985 WeakPolarHBondContact CB-OE2 3.24Å; S753-E985 PolarHBondContact OG-OE2 3.04Å
754	V	96.8	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-63	-27	176.9	70.4	0	0	0	0	111	M756 L757 W869 L915 E985 A988	V754-M756 PolarHBondContact O-N 3Å; V754-L757 HydrophobicContact CB-CD1 4.36Å; V754-L757 HydrophobicContact CG2-CD1 3.69Å; V754-L757 WeakPolarHBondContact O-CG 3.37Å; V754-L757 PolarHBondContact O-N 2.86Å; V754-W869 HydrophobicContact CB-CH2 3.86Å; V754-W869 HydrophobicContact CB-CZ3 3.78Å; V754-W869 HydrophobicContact CG2-CZ3 3.95Å; V754-W869 VanDerWaalsContact N-CH2 3.31Å; V754-L915 HydrophobicContact CG2-CB 3.92Å; V754-L915 HydrophobicContact CG2-CD1 4.02Å; V754-L915 HydrophobicContact CG2-CG 4.49Å; V754-E985 WeakPolarHBondContact CG1-O 3.46Å; V754-E985 PolarHBondContact N-O 2.95Å; V754-A988 HydrophobicContact CB-CB 4.41Å; V754-A988 HydrophobicContact CG1-CB 3.64Å; V754-A988 HydrophobicContact CG2-CB 3.88Å
755	H	96.5	Very high	93.3	Very high	35 Å²	35	44.6 Å²	44.6	16%	0.162	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-74.6	-7.3	179.5	-49.3	-52.5	0	0	0	113.3	S753 E985 T1068 A1070 N1071	S753-H755 PolarHBondContact O-N 3.25Å; S753-H755 PolarHBondContact OG-CD2 2.99Å; S753-H755 VanDerWaalsContact OG-CD2 3.26Å; S753-H755 PolarHBondContact OG-N 3.47Å; H755-E985 IonicContact CD2-OE2 3.63Å; H755-T1068 PolarHBondContact ND1-OG1 3.1Å; H755-A1070 HydrophobicContact CB-CB 4.47Å; H755-N1071 HydrophobicContact CB-CB 4.39Å; H755-N1071 PolarHBondContact O-ND2 3.08Å
756	M	94.9	Very high	94.3	Very high	94 Å²	94	42.2 Å²	42.2	46%	0.463	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-116	15.5	179.7	-62	-63.8	-70.2	0	0	112.1	P751 S753 V754 R758 F1065	P751-M756 HydrophobicContact CB-CB 4.25Å; S753-M756 PolarHBondContact O-N 2.72Å; S753-M756 VanDerWaalsContact O-N 3.15Å; V754-M756 PolarHBondContact O-N 3Å; M756-R758 PolarHBondContact O-N 3.24Å; M756-F1065 VanDerWaalsContact C-CD1 3.45Å; M756-F1065 HydrophobicContact CB-CE1 4.35Å; M756-F1065 HydrophobicContact CE-CE1 3.75Å; M756-F1065 HydrophobicContact CE-CE2 3.98Å; M756-F1065 HydrophobicContact CE-CZ 3.31Å; M756-F1065 VanDerWaalsContact O-CD1 3.28Å; M756-F1065 WeakPolarHBondContact O-CD1 3.47Å; M756-F1065 HydrophobicContact SD-CE1 4.24Å; M756-F1065 HydrophobicContact SD-CE2 4.09Å; M756-F1065 HydrophobicContact SD-CZ 3.92Å
757	L	95.2	Very high	95.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.2	C	C	.	.			trans	-73	121	-179.4	-73.5	172.7	0	0	0	111.7	P751 V754 D761 W869 L915 F1065 I1066	P751-L757 HydrophobicContact CG-CD2 3.62Å; V754-L757 HydrophobicContact CB-CD1 4.36Å; V754-L757 HydrophobicContact CG2-CD1 3.69Å; V754-L757 WeakPolarHBondContact O-CG 3.37Å; V754-L757 PolarHBondContact O-N 2.86Å; L757-D761 HydrophobicContact CD2-CB 3.96Å; L757-W869 HydrophobicContact CD1-CD2 4.15Å; L757-W869 HydrophobicContact CD1-CE3 3.68Å; L757-W869 HydrophobicContact CD1-CZ3 3.93Å; L757-W869 HydrophobicContact CD2-CB 4.14Å; L757-W869 HydrophobicContact CD2-CD2 3.4Å; L757-W869 VanDerWaalsContact CD2-CD2 3.4Å; L757-W869 HydrophobicContact CD2-CE3 3.85Å; L757-W869 HydrophobicContact CD2-CG 3.51Å; L757-W869 HydrophobicContact CD2-CZ2 4.22Å; L757-W869 HydrophobicContact CD2-CZ3 4.42Å; L757-W869 HydrophobicContact CG-CD2 4.26Å; L757-W869 HydrophobicContact CG-CE3 4.24Å; L757-W869 HydrophobicContact CG-CZ3 4.45Å; L757-L915 HydrophobicContact CD1-CB 4.15Å; L757-L915 HydrophobicContact CD1-CD2 4.43Å; L757-F1065 CarbonylContact O-C 3.43Å; L757-F1065 WeakPolarHBondContact O-CA 3.46Å; L757-I1066 PolarHBondContact O-N 3.05Å
758	R	95.4	Very high	95.6	Very high	60 Å²	60	36.8 Å²	36.8	23%	0.226	19%	0.193	C	C	.	.			trans	-86.4	157.1	161.5	-57.8	-173.3	179.5	-176.3	-1	109.8	S747 M756 S760 D761 F1065	S747-R758 VanDerWaalsContact OG-CD 3.27Å; S747-R758 WeakPolarHBondContact OG-CD 3.4Å; S747-R758 WeakPolarHBondContact OG-CG 3.34Å; M756-R758 PolarHBondContact O-N 3.24Å; R758-S760 PolarHBondContact O-N 3.12Å; R758-S760 VanDerWaalsContact O-N 3.13Å; R758-D761 WeakPolarHBondContact CB-OD2 3.17Å; R758-D761 PolarHBondContact N-OD2 2.72Å; R758-D761 WeakPolarHBondContact O-CB 3.46Å; R758-D761 PolarHBondContact O-N 3.12Å; R758-F1065 HydrophobicContact CG-CD1 3.98Å; R758-F1065 HydrophobicContact CG-CE1 4.23Å
759	P	95.9	Very high	96.2	Very high	4 Å²	4	27 Å²	27	3%	0.026	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-55.4	-32.4	176.3	-28.5	36.5	0	0	0	114.6	D761 L813 F816 W1033 P1059 I1066	P759-D761 PolarHBondContact O-N 3.28Å; P759-L813 HydrophobicContact CB-CD2 4.16Å; P759-F816 HydrophobicContact CB-CB 4.07Å; P759-F816 HydrophobicContact CB-CD1 3.87Å; P759-F816 HydrophobicContact CB-CD2 3.89Å; P759-F816 HydrophobicContact CB-CE1 4.25Å; P759-F816 HydrophobicContact CB-CE2 4.28Å; P759-F816 HydrophobicContact CB-CG 3.68Å; P759-F816 HydrophobicContact CB-CZ 4.44Å; P759-F816 HydrophobicContact CG-CD1 4.39Å; P759-F816 HydrophobicContact CG-CE1 4.33Å; P759-W1033 HydrophobicContact CB-CH2 3.64Å; P759-W1033 HydrophobicContact CB-CZ3 4.12Å; P759-W1033 HydrophobicContact CG-CH2 3.62Å; P759-W1033 HydrophobicContact CG-CZ2 4.5Å; P759-W1033 HydrophobicContact CG-CZ3 4.28Å; P759-P1059 HydrophobicContact CG-CG 3.94Å; P759-I1066 HydrophobicContact CG-CG1 4.36Å
760	S	95.2	Very high	96.4	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.091	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.8	175.2	53.8	0	0	0	0	114	P746 R758 I762	P746-S760 WeakPolarHBondContact CA-OG 3.37Å; R758-S760 PolarHBondContact O-N 3.12Å; R758-S760 VanDerWaalsContact O-N 3.13Å; S760-I762 VanDerWaalsContact C-N 3.31Å
761	D	96.6	Very high	96.6	Very high	10 Å²	10	19 Å²	19	5%	0.053	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-83.4	-11.1	-174.3	-57.4	-31.3	0	0	0	112.3	S747 P751 L757 R758 P759 Q763 W869	S747-D761 VanDerWaalsContact CB-OD1 3.24Å; S747-D761 WeakPolarHBondContact CB-OD1 3.45Å; S747-D761 WeakPolarHBondContact CB-OD2 3.5Å; S747-D761 PolarHBondContact N-OD1 3.09Å; S747-D761 VanDerWaalsContact OG-CG 3.27Å; S747-D761 PolarHBondContact OG-OD1 2.78Å; S747-D761 PolarHBondContact OG-OD2 2.54Å; P751-D761 HydrophobicContact CG-CB 3.85Å; L757-D761 HydrophobicContact CD2-CB 3.96Å; R758-D761 WeakPolarHBondContact CB-OD2 3.17Å; R758-D761 PolarHBondContact N-OD2 2.72Å; R758-D761 WeakPolarHBondContact O-CB 3.46Å; R758-D761 PolarHBondContact O-N 3.12Å; P759-D761 PolarHBondContact O-N 3.28Å; D761-Q763 PolarHBondContact O-NE2 2.62Å; D761-Q763 PolarHBondContact O-OE1 2.85Å; D761-W869 WeakPolarHBondContact O-CB 3.08Å
762	I	97.9	Very high	96.6	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.099	C	C	.	.			trans	-78.7	118.5	176.5	-62.9	163.8	0	0	0	109	S760 V765 L813 N817 L820 L871 I1066	S760-I762 VanDerWaalsContact C-N 3.31Å; I762-V765 HydrophobicContact CG2-CG1 4.42Å; I762-L813 HydrophobicContact CD1-CD2 3.84Å; I762-N817 PolarHBondContact O-ND2 3.13Å; I762-L820 HydrophobicContact CG2-CD1 4.01Å; I762-L820 WeakPolarHBondContact O-CD1 3.25Å; I762-L871 HydrophobicContact CD1-CB 4.26Å; I762-L871 HydrophobicContact CD1-CD2 3.98Å; I762-L871 HydrophobicContact CG2-CB 3.88Å; I762-I1066 HydrophobicContact CD1-CD1 3.44Å; I762-I1066 VanDerWaalsContact CD1-CD1 3.44Å; I762-I1066 HydrophobicContact CG1-CD1 4.4Å
763	Q	98.1	Very high	96.8	Very high	38 Å²	38	13.7 Å²	13.7	18%	0.178	7%	0.067	C	C	.	.			trans	-98.1	-26.1	175.8	-61.6	80.9	10.1	0	0	112.7	D761 K821 D868 W869	D761-Q763 PolarHBondContact O-NE2 2.62Å; D761-Q763 PolarHBondContact O-OE1 2.85Å; Q763-K821 PolarHBondContact O-N 3.03Å; Q763-D868 HydrophobicContact CB-CB 4.13Å; Q763-W869 PolarHBondContact N-O 3.25Å; Q763-W869 VanDerWaalsContact N-O 3.14Å; Q763-W869 PolarHBondContact OE1-O 3.46Å
764	V	98.7	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.7	-173.4	-175.1	0	0	0	0	111	K821 F834 M857 V863 D868 W869 K870 L871	V764-K821 WeakPolarHBondContact CA-O 3.32Å; V764-K821 HydrophobicContact CG2-CB 4.48Å; V764-F834 HydrophobicContact CG1-CD2 3.65Å; V764-F834 HydrophobicContact CG1-CE2 3.59Å; V764-M857 HydrophobicContact CG1-CE 4.02Å; V764-V863 HydrophobicContact CG2-CB 4.49Å; V764-V863 HydrophobicContact CG2-CG1 3.87Å; V764-V863 HydrophobicContact CG2-CG2 3.91Å; V764-D868 HydrophobicContact CG2-CB 4.13Å; V764-W869 PolarHBondContact N-O 2.71Å; V764-W869 VanDerWaalsContact N-O 3.13Å; V764-K870 HydrophobicContact CB-CB 4.42Å; V764-K870 HydrophobicContact CB-CG 4.04Å; V764-K870 HydrophobicContact CG1-CG 4.37Å; V764-K870 CarbonylContact O-C 3.51Å; V764-K870 WeakPolarHBondContact O-CA 3.47Å; V764-L871 PolarHBondContact O-N 3.46Å
765	V	98.8	Very high	96.7	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.5	168.2	-73.7	0	0	0	0	110.7	I762 I797 P810 L813 L820 K821 G822 F823 L871	I762-V765 HydrophobicContact CG2-CG1 4.42Å; V765-I797 HydrophobicContact CB-CD1 3.66Å; V765-I797 HydrophobicContact CG2-CD1 3.57Å; V765-P810 HydrophobicContact CG2-CB 4.31Å; V765-P810 HydrophobicContact CG2-CG 4.04Å; V765-L813 HydrophobicContact CG1-CD1 3.63Å; V765-L820 HydrophobicContact CG1-CD1 4.17Å; V765-L820 HydrophobicContact CG1-CD2 4.15Å; V765-L820 HydrophobicContact CG1-CG 4.48Å; V765-L820 HydrophobicContact CG2-CD2 4.06Å; V765-L820 HydrophobicContact CG2-CG 4.26Å; V765-K821 WeakPolarHBondContact CG2-O 3.34Å; V765-K821 PolarHBondContact N-O 2.74Å; V765-G822 CarbonylContact O-C 3.59Å; V765-G822 WeakPolarHBondContact O-CA 3.37Å; V765-F823 HydrophobicContact CG2-CB 3.85Å; V765-L871 CarbonylContact C-O 3.52Å; V765-L871 WeakPolarHBondContact CA-O 3.24Å; V765-L871 HydrophobicContact CG1-CB 4.33Å
766	A	98.8	Very high	96.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.9	174.1	0	0	0	0	0	110.8	F834 L853 M857 L871 V872 T873	A766-F834 HydrophobicContact CB-CB 3.66Å; A766-L853 HydrophobicContact CB-CD1 3.69Å; A766-L853 HydrophobicContact CB-CD2 3.85Å; A766-L853 HydrophobicContact CB-CG 4.4Å; A766-M857 HydrophobicContact CB-CE 3.58Å; A766-L871 PolarHBondContact N-O 3.47Å; A766-V872 HydrophobicContact CB-CG2 4.28Å; A766-V872 WeakPolarHBondContact O-CA 3.42Å; A766-T873 PolarHBondContact O-N 3.35Å
767	A	98.6	Very high	96.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.2	177.5	0	0	0	0	0	113.9	T773 I797 F834 M836 T873	A767-T773 HydrophobicContact CB-CG2 3.57Å; A767-I797 HydrophobicContact CB-CB 3.7Å; A767-I797 HydrophobicContact CB-CG1 3.98Å; A767-I797 HydrophobicContact CB-CG2 3.88Å; A767-F834 PolarHBondContact N-O 3.29Å; A767-F834 VanDerWaalsContact N-O 3.12Å; A767-M836 PolarHBondContact O-N 2.87Å; A767-T873 CarbonylContact C-O 3.6Å; A767-T873 WeakPolarHBondContact CA-O 3.23Å
768	L	98.8	Very high	96.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.2	177.7	-48	178.5	0	0	0	108.9	M836 L846 Q849 V850 L853 V872 T873 I874 F875 T903	L768-M836 HydrophobicContact CD2-CB 3.8Å; L768-M836 HydrophobicContact CD2-CG 4.28Å; L768-L846 HydrophobicContact CB-CD2 3.99Å; L768-Q849 HydrophobicContact CD2-CB 3.99Å; L768-V850 HydrophobicContact CD1-CG2 3.33Å; L768-L853 HydrophobicContact CD2-CB 4.18Å; L768-L853 HydrophobicContact CD2-CD2 3.83Å; L768-L853 HydrophobicContact CG-CD2 4.4Å; L768-V872 HydrophobicContact CD1-CG1 4.36Å; L768-V872 HydrophobicContact CG-CG1 4.3Å; L768-T873 PolarHBondContact N-O 3.35Å; L768-I874 HydrophobicContact CB-CG1 4.34Å; L768-I874 HydrophobicContact CB-CG2 4.49Å; L768-I874 HydrophobicContact CD1-CD1 4.06Å; L768-I874 HydrophobicContact CD1-CG1 4.06Å; L768-I874 HydrophobicContact CG-CG1 4.42Å; L768-I874 WeakPolarHBondContact O-CA 3.27Å; L768-F875 PolarHBondContact O-N 3.48Å; L768-F875 VanDerWaalsContact O-N 3.11Å; L768-T903 HydrophobicContact CD1-CG2 4.19Å
769	G	97.7	Very high	96.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-159.2	179.1	0	0	0	0	0	116.7	A837 V838 Q849 F875 I876	G769-A837 VanDerWaalsContact O-CA 3.29Å; G769-A837 WeakPolarHBondContact O-CA 3.24Å; G769-A837 WeakPolarHBondContact O-CB 3.38Å; G769-V838 PolarHBondContact O-N 3.29Å; G769-V838 VanDerWaalsContact O-N 3.15Å; G769-Q849 PolarHBondContact O-NE2 2.79Å; G769-Q849 PolarHBondContact O-OE1 3.28Å; G769-F875 WeakPolarHBondContact CA-O 3.13Å; G769-I876 VanDerWaalsContact C-CD1 3.5Å
770	D	95.6	Very high	96.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	-99.7	-153.1	180	61.2	25.1	0	0	0	112.6	L772 T773 A774 V838 F875 I876	D770-L772 VanDerWaalsContact C-N 3.29Å; D770-L772 PolarHBondContact O-N 2.77Å; D770-L772 WeakPolarHBondContact OD1-CB 3.19Å; D770-L772 PolarHBondContact OD1-N 3Å; D770-T773 PolarHBondContact O-N 3.18Å; D770-A774 WeakPolarHBondContact O-CB 3.16Å; D770-A774 PolarHBondContact O-N 3.5Å; D770-V838 CarbonylContact C-O 3.53Å; D770-V838 WeakPolarHBondContact CA-O 2.82Å; D770-F875 PolarHBondContact N-O 2.92Å; D770-I876 HydrophobicContact CB-CD1 3.83Å
771	S	95.2	Very high	95.8	Very high	8 Å²	8	14.3 Å²	14.3	6%	0.056	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-29.7	-179.1	55.1	0	0	0	0	113.9	A774 G775 T776 H1019	S771-A774 PolarHBondContact O-N 3.38Å; S771-G775 PolarHBondContact O-N 2.81Å; S771-T776 WeakPolarHBondContact CB-OG1 3.27Å; S771-T776 PolarHBondContact O-N 3.01Å; S771-T776 PolarHBondContact O-OG1 2.84Å; S771-H1019 WeakPolarHBondContact CB-NE2 3.41Å; S771-H1019 PolarHBondContact OG-NE2 2.78Å
772	L	94.2	Very high	95.2	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-46.8	177.7	-77.8	144.2	0	0	0	110.7	D770 A774 G775 F875 T878 M922 L1020 H1025	D770-L772 VanDerWaalsContact C-N 3.29Å; D770-L772 PolarHBondContact O-N 2.77Å; D770-L772 WeakPolarHBondContact OD1-CB 3.19Å; D770-L772 PolarHBondContact OD1-N 3Å; L772-A774 VanDerWaalsContact C-N 3.31Å; L772-A774 PolarHBondContact O-N 3.14Å; L772-G775 PolarHBondContact O-N 3.31Å; L772-F875 HydrophobicContact CB-CD1 4.12Å; L772-F875 HydrophobicContact CB-CE1 3.9Å; L772-F875 HydrophobicContact CD1-CE1 3.51Å; L772-F875 HydrophobicContact CD1-CZ 4.13Å; L772-F875 HydrophobicContact CG-CE1 4.28Å; L772-T878 HydrophobicContact CD1-CG2 4.4Å; L772-M922 HydrophobicContact CD1-CE 4.03Å; L772-L1020 HydrophobicContact CD2-CB 3.92Å; L772-L1020 HydrophobicContact CD2-CD1 3.46Å; L772-L1020 VanDerWaalsContact CD2-CD1 3.46Å; L772-L1020 HydrophobicContact CD2-CG 3.6Å; L772-H1025 PolarHBondContact O-CE1 3.3Å
773	T	96.7	Very high	94.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-29.3	175.5	-57	0	0	0	0	111.9	A767 D770 G775 S794 N835 A837	A767-T773 HydrophobicContact CB-CG2 3.57Å; D770-T773 PolarHBondContact O-N 3.18Å; T773-G775 VanDerWaalsContact C-N 3.29Å; T773-G775 PolarHBondContact O-N 3.44Å; T773-S794 WeakPolarHBondContact O-CB 3.31Å; T773-S794 PolarHBondContact O-OG 3.12Å; T773-N835 PolarHBondContact O-ND2 2.95Å; T773-A837 HydrophobicContact CG2-CB 3.5Å
774	A	96.4	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-72.9	-17.4	173.9	0	0	0	0	0	113.8	D770 S771 L772 E789 K791 A837	D770-A774 WeakPolarHBondContact O-CB 3.16Å; D770-A774 PolarHBondContact O-N 3.5Å; S771-A774 PolarHBondContact O-N 3.38Å; L772-A774 VanDerWaalsContact C-N 3.31Å; L772-A774 PolarHBondContact O-N 3.14Å; A774-E789 HydrophobicContact CB-CG 4.37Å; A774-K791 WeakPolarHBondContact O-CG 3.16Å; A774-A837 HydrophobicContact CB-CB 4.23Å
775	G	95.9	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	28.8	-175	0	0	0	0	0	113.7	S771 L772 T773 G777 A778 Y790	S771-G775 PolarHBondContact O-N 2.81Å; L772-G775 PolarHBondContact O-N 3.31Å; T773-G775 VanDerWaalsContact C-N 3.29Å; T773-G775 PolarHBondContact O-N 3.44Å; G775-G777 PolarHBondContact O-N 3.37Å; G775-A778 PolarHBondContact O-N 2.89Å; G775-Y790 PolarHBondContact O-N 3.44Å
776	T	95.6	Very high	92.8	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-61.5	122.9	179.6	-56.5	0	0	0	0	110.7	S771 A778 L786 T788	S771-T776 WeakPolarHBondContact CB-OG1 3.27Å; S771-T776 PolarHBondContact O-N 3.01Å; S771-T776 PolarHBondContact O-OG1 2.84Å; T776-A778 PolarHBondContact O-N 3.27Å; T776-L786 WeakPolarHBondContact CG2-O 3.43Å; T776-T788 WeakPolarHBondContact CA-O 3.31Å
777	G	94.1	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	6	175.9	0	0	0	0	0	115.4	G775 K779 S780 L786 T788 S1014	G775-G777 PolarHBondContact O-N 3.37Å; G777-K779 VanDerWaalsContact C-N 3.27Å; G777-K779 PolarHBondContact O-N 3.05Å; G777-K779 VanDerWaalsContact O-N 3.15Å; G777-S780 WeakPolarHBondContact O-CB 3.48Å; G777-S780 PolarHBondContact O-N 3.2Å; G777-L786 WeakPolarHBondContact CA-O 3.37Å; G777-L786 PolarHBondContact N-O 2.91Å; G777-T788 PolarHBondContact N-O 2.97Å; G777-S1014 WeakPolarHBondContact O-CB 2.94Å; G777-S1014 PolarHBondContact O-OG 2.85Å
778	A	94.9	Very high	92.1	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.5	-172.4	0	0	0	0	0	113.7	G775 T776 V793 L1020 S1021 E1022	G775-A778 PolarHBondContact O-N 2.89Å; T776-A778 PolarHBondContact O-N 3.27Å; A778-V793 HydrophobicContact CB-CG2 3.92Å; A778-L1020 WeakPolarHBondContact CA-O 3.33Å; A778-S1021 CarbonylContact O-C 3.57Å; A778-S1021 WeakPolarHBondContact O-CA 3.01Å; A778-E1022 PolarHBondContact O-N 2.99Å
779	K	93.8	Very high	91.9	Very high	65 Å²	65	37.7 Å²	37.7	28%	0.283	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8.2	175	-52.5	-164.9	175.9	-129.9	0	114.3	G777 Y790 V793 E1022	G777-K779 VanDerWaalsContact C-N 3.27Å; G777-K779 PolarHBondContact O-N 3.05Å; G777-K779 VanDerWaalsContact O-N 3.15Å; K779-Y790 HydrophobicContact CB-CD1 3.76Å; K779-Y790 HydrophobicContact CB-CD2 4.35Å; K779-Y790 HydrophobicContact CB-CE1 3.66Å; K779-Y790 HydrophobicContact CB-CE2 4.27Å; K779-Y790 HydrophobicContact CB-CG 4.11Å; K779-Y790 HydrophobicContact CD-CD1 4.04Å; K779-Y790 HydrophobicContact CD-CE1 4.44Å; K779-Y790 HydrophobicContact CG-CD1 3.82Å; K779-Y790 HydrophobicContact CG-CE1 4.23Å; K779-Y790 HydrophobicContact CG-CG 4.08Å; K779-V793 HydrophobicContact CD-CG2 4.39Å; K779-V793 HydrophobicContact CG-CG2 3.97Å; K779-E1022 WeakPolarHBondContact CD-OE2 3.5Å; K779-E1022 VanDerWaalsContact CE-CD 3.42Å; K779-E1022 WeakPolarHBondContact CE-OE1 2.92Å; K779-E1022 WeakPolarHBondContact CE-OE2 3.39Å; K779-E1022 HydrophobicContact CG-CB 4.39Å; K779-E1022 IonicContact NZ-OE1 3.41Å; K779-E1022 PolarHBondContact NZ-OE1 3Å; K779-E1022 IonicContact NZ-OE2 2.96Å; K779-E1022 PolarHBondContact NZ-OE2 2.04Å
780	S	90.9	Very high	91.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.014	21%	0.206	C	C	.	.			trans	-79	128.6	-174.5	168.2	0	0	0	0	110.5	G777 S782 D785 L786 S1014	G777-S780 WeakPolarHBondContact O-CB 3.48Å; G777-S780 PolarHBondContact O-N 3.2Å; S780-S782 PolarHBondContact OG-N 3.32Å; S780-S782 PolarHBondContact OG-O 3.49Å; S780-D785 WeakPolarHBondContact CB-OD1 3.11Å; S780-D785 PolarHBondContact OG-OD1 3.45Å; S780-L786 PolarHBondContact OG-N 3.27Å; S780-S1014 PolarHBondContact O-OG 3.05Å
781	N	84.8	Confident	91.8	Very high	158 Å²	158	38.5 Å²	38.5	85%	0.845	21%	0.206	S	C	*	.			trans	-110.1	5.6	173.1	-66.9	-36.5	0	0	0	111.7
782	S	83.7	Confident	91.9	Very high	52 Å²	52	38.1 Å²	38.1	36%	0.364	20%	0.203	S	C	.	.	S	Bend	trans	-142	156	-176.1	-179.5	0	0	0	0	111.5	S780 L784 D785	S780-S782 PolarHBondContact OG-N 3.32Å; S780-S782 PolarHBondContact OG-O 3.49Å; S782-L784 PolarHBondContact O-N 3.32Å; S782-L784 PolarHBondContact OG-N 3.44Å; S782-D785 WeakPolarHBondContact CB-OD1 3.34Å; S782-D785 PolarHBondContact N-OD1 2.92Å
783	I	84	Confident	92.1	Very high	62 Å²	62	37.9 Å²	37.9	32%	0.318	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.3	177.6	-59.9	161.9	0	0	0	111	D785 L935 G936	I783-D785 PolarHBondContact O-N 2.9Å; I783-L935 HydrophobicContact CD1-CB 3.72Å; I783-L935 HydrophobicContact CD1-CD2 3.74Å; I783-L935 HydrophobicContact CD1-CG 4.01Å; I783-G936 VanDerWaalsContact CD1-N 3.28Å
784	L	84.4	Confident	92.1	Very high	171 Å²	171	37.9 Å²	37.9	90%	0.895	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.5	-177.8	-65.3	173.2	0	0	0	113.5	S782	S782-L784 PolarHBondContact O-N 3.32Å; S782-L784 PolarHBondContact OG-N 3.44Å
785	D	87.1	Confident	92.2	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.262	20%	0.202	S	C	.	.	S	Bend	trans	-109.2	9.2	-179.3	63.4	-18	0	0	0	113.1	S780 S782 I783 N787 T788 Y790	S780-D785 WeakPolarHBondContact CB-OD1 3.11Å; S780-D785 PolarHBondContact OG-OD1 3.45Å; S782-D785 WeakPolarHBondContact CB-OD1 3.34Å; S782-D785 PolarHBondContact N-OD1 2.92Å; I783-D785 PolarHBondContact O-N 2.9Å; D785-N787 VanDerWaalsContact C-N 3.28Å; D785-N787 PolarHBondContact O-N 2.99Å; D785-T788 WeakPolarHBondContact O-CB 3.43Å; D785-T788 PolarHBondContact O-N 2.87Å; D785-T788 PolarHBondContact O-OG1 3.38Å; D785-Y790 PolarHBondContact OD2-OH 3.49Å
786	L	87.3	Confident	92.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-36.9	-178.5	-177.4	68.6	0	0	0	113.2	T776 G777 S780 T788 Q940 D1016	T776-L786 WeakPolarHBondContact CG2-O 3.43Å; G777-L786 WeakPolarHBondContact CA-O 3.37Å; G777-L786 PolarHBondContact N-O 2.91Å; S780-L786 PolarHBondContact OG-N 3.27Å; L786-T788 PolarHBondContact O-N 2.81Å; L786-Q940 HydrophobicContact CD2-CG 3.56Å; L786-D1016 HydrophobicContact CD1-CB 4.04Å; L786-D1016 HydrophobicContact CD2-CB 3.69Å
787	N	89	Confident	92.4	Very high	136 Å²	136	37.7 Å²	37.7	73%	0.727	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	2	-179.7	-67.1	-32.7	0	0	0	113.3	D785 E789	D785-N787 VanDerWaalsContact C-N 3.28Å; D785-N787 PolarHBondContact O-N 2.99Å; N787-E789 PolarHBondContact O-N 3.04Å
788	T	93.6	Very high	92.6	Very high	39 Å²	39	37.7 Å²	37.7	24%	0.239	20%	0.201	C	C	.	.			trans	-75.5	123.7	177.2	-61.4	0	0	0	0	110.4	T776 G777 D785 L786 Y790 Q827	T776-T788 WeakPolarHBondContact CA-O 3.31Å; G777-T788 PolarHBondContact N-O 2.97Å; D785-T788 WeakPolarHBondContact O-CB 3.43Å; D785-T788 PolarHBondContact O-N 2.87Å; D785-T788 PolarHBondContact O-OG1 3.38Å; L786-T788 PolarHBondContact O-N 2.81Å; T788-Y790 HydrophobicContact CG2-CD1 4.34Å; T788-Y790 HydrophobicContact CG2-CD2 4.05Å; T788-Y790 HydrophobicContact CG2-CE1 4.04Å; T788-Y790 HydrophobicContact CG2-CE2 3.71Å; T788-Y790 HydrophobicContact CG2-CG 4.34Å; T788-Y790 VanDerWaalsContact O-CD2 3.25Å; T788-Y790 WeakPolarHBondContact O-CD2 3.4Å; T788-Y790 PolarHBondContact O-N 3.17Å; T788-Q827 HydrophobicContact CG2-CB 4.2Å; T788-Q827 HydrophobicContact CG2-CG 4.02Å
789	E	94.9	Very high	92.7	Very high	31 Å²	31	37.7 Å²	37.7	15%	0.145	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-82.2	97.9	172.2	-63.5	-176.2	170	0	0	109.9	A774 N787 K791 Q827 G828 Q829	A774-E789 HydrophobicContact CB-CG 4.37Å; N787-E789 PolarHBondContact O-N 3.04Å; E789-K791 HydrophobicContact CB-CG 4.2Å; E789-K791 PolarHBondContact O-N 3.43Å; E789-K791 WeakPolarHBondContact OE2-CE 3.43Å; E789-K791 IonicContact OE2-NZ 3.58Å; E789-K791 PolarHBondContact OE2-NZ 2.92Å; E789-Q827 CarbonylContact O-C 3.53Å; E789-Q827 VanDerWaalsContact O-CA 3.32Å; E789-Q827 WeakPolarHBondContact O-CA 3.4Å; E789-G828 PolarHBondContact O-N 2.77Å; E789-Q829 PolarHBondContact OE2-NE2 3.25Å; E789-Q829 VanDerWaalsContact OE2-NE2 3.15Å
790	Y	96.5	Very high	92.9	Very high	18 Å²	18	36.3 Å²	36.3	7%	0.071	20%	0.197	C	C	.	.			trans	-80.8	61.4	175.8	-61.9	-92.7	0	0	0	110.8	G775 K779 D785 T788 G792 V793 G826 Q827	G775-Y790 PolarHBondContact O-N 3.44Å; K779-Y790 HydrophobicContact CB-CD1 3.76Å; K779-Y790 HydrophobicContact CB-CD2 4.35Å; K779-Y790 HydrophobicContact CB-CE1 3.66Å; K779-Y790 HydrophobicContact CB-CE2 4.27Å; K779-Y790 HydrophobicContact CB-CG 4.11Å; K779-Y790 HydrophobicContact CD-CD1 4.04Å; K779-Y790 HydrophobicContact CD-CE1 4.44Å; K779-Y790 HydrophobicContact CG-CD1 3.82Å; K779-Y790 HydrophobicContact CG-CE1 4.23Å; K779-Y790 HydrophobicContact CG-CG 4.08Å; D785-Y790 PolarHBondContact OD2-OH 3.49Å; T788-Y790 HydrophobicContact CG2-CD1 4.34Å; T788-Y790 HydrophobicContact CG2-CD2 4.05Å; T788-Y790 HydrophobicContact CG2-CE1 4.04Å; T788-Y790 HydrophobicContact CG2-CE2 3.71Å; T788-Y790 HydrophobicContact CG2-CG 4.34Å; T788-Y790 VanDerWaalsContact O-CD2 3.25Å; T788-Y790 WeakPolarHBondContact O-CD2 3.4Å; T788-Y790 PolarHBondContact O-N 3.17Å; Y790-G792 PolarHBondContact O-N 2.86Å; Y790-G792 VanDerWaalsContact O-N 3.09Å; Y790-V793 WeakPolarHBondContact O-CG2 3.44Å; Y790-V793 PolarHBondContact O-N 3.45Å; Y790-G826 CarbonylContact C-O 3.47Å; Y790-Q827 HydrophobicContact CD1-CG 3.77Å; Y790-Q827 HydrophobicContact CE1-CG 4.15Å; Y790-Q827 HydrophobicContact CG-CG 4.47Å
791	K	95.8	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.9	-36.2	-173.9	-67.2	-165.3	-174.9	-65	0	113.1	A774 E789 V793 S794 G798 S824 G826 G828 K832 N835 A837	A774-K791 WeakPolarHBondContact O-CG 3.16Å; E789-K791 HydrophobicContact CB-CG 4.2Å; E789-K791 PolarHBondContact O-N 3.43Å; E789-K791 WeakPolarHBondContact OE2-CE 3.43Å; E789-K791 IonicContact OE2-NZ 3.58Å; E789-K791 PolarHBondContact OE2-NZ 2.92Å; K791-V793 PolarHBondContact O-N 3.37Å; K791-V793 VanDerWaalsContact O-N 3.12Å; K791-S794 VanDerWaalsContact O-CB 3.31Å; K791-S794 WeakPolarHBondContact O-CB 3.37Å; K791-S794 PolarHBondContact O-N 3.25Å; K791-G798 VanDerWaalsContact O-CA 3.28Å; K791-G798 WeakPolarHBondContact O-CA 3.25Å; K791-S824 PolarHBondContact O-OG 2.93Å; K791-G826 PolarHBondContact N-O 3.42Å; K791-G828 VanDerWaalsContact CD-O 3.32Å; K791-G828 WeakPolarHBondContact CD-O 3.36Å; K791-G828 WeakPolarHBondContact CE-O 3.3Å; K791-K832 HydrophobicContact CD-CB 3.63Å; K791-N835 HydrophobicContact CD-CB 4.38Å; K791-A837 PolarHBondContact NZ-O 3.31Å
792	G	96.9	Very high	93.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59.6	-20.6	179.6	0	0	0	0	0	116.1	Y790 G798 G799 D800 G826	Y790-G792 PolarHBondContact O-N 2.86Å; Y790-G792 VanDerWaalsContact O-N 3.09Å; G792-G798 CarbonylContact O-C 2.73Å; G792-G798 VanDerWaalsContact O-C 3.31Å; G792-G798 WeakPolarHBondContact O-CA 3.28Å; G792-G799 PolarHBondContact O-N 3.14Å; G792-D800 VanDerWaalsContact CA-CG 3.45Å; G792-D800 WeakPolarHBondContact CA-OD2 3.44Å; G792-D800 WeakPolarHBondContact O-CB 3.4Å; G792-D800 PolarHBondContact O-N 2.99Å; G792-G826 PolarHBondContact N-O 3.11Å
793	V	97.4	Very high	94.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-115.7	16.1	174.8	-58.3	0	0	0	0	113.4	A778 K779 Y790 K791 W795 D800 V806 E1022 H1025	A778-V793 HydrophobicContact CB-CG2 3.92Å; K779-V793 HydrophobicContact CD-CG2 4.39Å; K779-V793 HydrophobicContact CG-CG2 3.97Å; Y790-V793 WeakPolarHBondContact O-CG2 3.44Å; Y790-V793 PolarHBondContact O-N 3.45Å; K791-V793 PolarHBondContact O-N 3.37Å; K791-V793 VanDerWaalsContact O-N 3.12Å; V793-W795 PolarHBondContact O-N 3.1Å; V793-D800 HydrophobicContact CG1-CB 4.28Å; V793-V806 HydrophobicContact CB-CG1 4.2Å; V793-V806 HydrophobicContact CG1-CG1 3.68Å; V793-V806 HydrophobicContact CG1-CG2 4.45Å; V793-E1022 HydrophobicContact CB-CG 4.33Å; V793-E1022 HydrophobicContact CG2-CG 4.41Å; V793-H1025 PolarHBondContact O-ND1 3.44Å
794	S	97.8	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.			trans	-60.4	130.9	171.5	179	0	0	0	0	110.4	T773 K791 S796 I797 G798 T808	T773-S794 WeakPolarHBondContact O-CB 3.31Å; T773-S794 PolarHBondContact O-OG 3.12Å; K791-S794 VanDerWaalsContact O-CB 3.31Å; K791-S794 WeakPolarHBondContact O-CB 3.37Å; K791-S794 PolarHBondContact O-N 3.25Å; S794-S796 VanDerWaalsContact C-N 3.25Å; S794-S796 PolarHBondContact O-N 3.18Å; S794-I797 PolarHBondContact O-N 3.06Å; S794-G798 WeakPolarHBondContact O-CA 3.44Å; S794-G798 PolarHBondContact O-N 2.57Å; S794-T808 VanDerWaalsContact O-CG2 3.28Å; S794-T808 WeakPolarHBondContact O-CG2 3.44Å
795	W	97.6	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.8	-171	62.4	-85.5	0	0	0	112.7	V793 L809 T873 F875 V919 F994 H1025 M1028 A1029 L1032	V793-W795 PolarHBondContact O-N 3.1Å; W795-L809 PolarHBondContact O-N 2.93Å; W795-T873 HydrophobicContact CH2-CG2 4.15Å; W795-F875 HydrophobicContact CH2-CB 4.38Å; W795-F875 HydrophobicContact CZ2-CB 3.88Å; W795-F875 HydrophobicContact CZ2-CD1 4.48Å; W795-F875 HydrophobicContact CZ2-CG 4.08Å; W795-V919 HydrophobicContact CH2-CB 4.24Å; W795-V919 HydrophobicContact CH2-CG1 4.03Å; W795-V919 HydrophobicContact CH2-CG2 3.67Å; W795-V919 HydrophobicContact CZ3-CG2 4.34Å; W795-F994 HydrophobicContact CE3-CZ 4.35Å; W795-F994 HydrophobicContact CH2-CZ 4.16Å; W795-F994 HydrophobicContact CZ3-CE1 4.18Å; W795-F994 AromaticContact CZ3-CZ 3.65Å; W795-F994 HydrophobicContact CZ3-CZ 3.65Å; W795-H1025 HydrophobicContact CB-CB 4.06Å; W795-H1025 WeakPolarHBondContact CB-O 3.45Å; W795-H1025 AromaticContact CD1-CE1 3.77Å; W795-H1025 AromaticContact CD1-ND1 3.69Å; W795-H1025 PolarHBondContact N-ND1 3.03Å; W795-M1028 HydrophobicContact CB-CB 3.85Å; W795-M1028 HydrophobicContact CD2-CB 3.96Å; W795-M1028 HydrophobicContact CD2-CE 3.86Å; W795-M1028 HydrophobicContact CE3-CB 3.96Å; W795-M1028 HydrophobicContact CE3-CE 4.39Å; W795-M1028 HydrophobicContact CG-CB 3.91Å; W795-M1028 HydrophobicContact CG-CE 4.19Å; W795-M1028 HydrophobicContact CG-SD 4.3Å; W795-M1028 HydrophobicContact CH2-CE 4.4Å; W795-M1028 HydrophobicContact CZ2-CE 3.89Å; W795-A1029 HydrophobicContact CB-CB 4.29Å; W795-A1029 WeakPolarHBondContact O-CB 3.33Å; W795-L1032 HydrophobicContact CE3-CB 4.35Å; W795-L1032 HydrophobicContact CE3-CD2 4.09Å; W795-L1032 HydrophobicContact CH2-CD2 4.26Å; W795-L1032 HydrophobicContact CZ3-CB 3.88Å; W795-L1032 HydrophobicContact CZ3-CD2 3.44Å; W795-L1032 VanDerWaalsContact CZ3-CD2 3.44Å; W795-L1032 HydrophobicContact CZ3-CG 4.18Å
796	S	97.8	Very high	95.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-18.1	-175.3	55.5	0	0	0	0	114.8	S794	S794-S796 VanDerWaalsContact C-N 3.25Å; S794-S796 PolarHBondContact O-N 3.18Å
797	I	98.4	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.6	-1.1	-168.6	-162.6	56.9	0	0	0	115.7	V765 A767 S794 F823 S824 N835	V765-I797 HydrophobicContact CB-CD1 3.66Å; V765-I797 HydrophobicContact CG2-CD1 3.57Å; A767-I797 HydrophobicContact CB-CB 3.7Å; A767-I797 HydrophobicContact CB-CG1 3.98Å; A767-I797 HydrophobicContact CB-CG2 3.88Å; S794-I797 PolarHBondContact O-N 3.06Å; I797-F823 CarbonylContact O-C 3.58Å; I797-F823 WeakPolarHBondContact O-CA 3.46Å; I797-F823 WeakPolarHBondContact O-CB 3.2Å; I797-S824 PolarHBondContact O-N 3.08Å; I797-S824 PolarHBondContact O-OG 2.93Å; I797-S824 VanDerWaalsContact O-OG 3.11Å; I797-N835 HydrophobicContact CG1-CB 4.14Å; I797-N835 HydrophobicContact CG2-CB 3.72Å; I797-N835 WeakPolarHBondContact CG2-ND2 3.44Å
798	G	98.2	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-73.2	149.8	175.1	0	0	0	0	0	112.1	K791 G792 S794 T808 P810 S824	K791-G798 VanDerWaalsContact O-CA 3.28Å; K791-G798 WeakPolarHBondContact O-CA 3.25Å; G792-G798 CarbonylContact O-C 2.73Å; G792-G798 VanDerWaalsContact O-C 3.31Å; G792-G798 WeakPolarHBondContact O-CA 3.28Å; S794-G798 WeakPolarHBondContact O-CA 3.44Å; S794-G798 PolarHBondContact O-N 2.57Å; G798-T808 VanDerWaalsContact O-CB 3.23Å; G798-T808 WeakPolarHBondContact O-CB 3.06Å; G798-T808 PolarHBondContact O-OG1 3.25Å; G798-P810 WeakPolarHBondContact O-CB 3.43Å; G798-P810 WeakPolarHBondContact O-CD 3.49Å; G798-P810 VanDerWaalsContact O-CG 3.29Å; G798-P810 WeakPolarHBondContact O-CG 3.48Å; G798-S824 CarbonylContact C-O 3.59Å
799	G	97.3	Very high	97.1	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	10%	0.099	C	C	.	.			trans	-144.9	32.6	175	0	0	0	0	0	114.1	G792 N811 K814 S824	G792-G799 PolarHBondContact O-N 3.14Å; G799-N811 WeakPolarHBondContact CA-OD1 3.34Å; G799-K814 PolarHBondContact O-NZ 3.18Å; G799-S824 PolarHBondContact N-O 3.37Å
800	D	97.4	Very high	97.3	Very high	37 Å²	37	16.9 Å²	16.9	20%	0.198	9%	0.092	C	C	.	.			trans	-64	140.6	167.9	-77.9	-7.6	0	0	0	110.5	G792 V793 V806 N811 K825 G826	G792-D800 VanDerWaalsContact CA-CG 3.45Å; G792-D800 WeakPolarHBondContact CA-OD2 3.44Å; G792-D800 WeakPolarHBondContact O-CB 3.4Å; G792-D800 PolarHBondContact O-N 2.99Å; V793-D800 HydrophobicContact CG1-CB 4.28Å; D800-V806 WeakPolarHBondContact O-CB 3.36Å; D800-N811 PolarHBondContact O-ND2 2.85Å; D800-K825 WeakPolarHBondContact OD1-CA 3.36Å; D800-G826 PolarHBondContact OD1-N 3.44Å
801	Q	96.3	Very high	97.4	Very high	120 Å²	120	16.1 Å²	16.1	56%	0.561	9%	0.089	S	C	*	.	S	Bend	trans	53.7	-162.9	176.5	-56.5	-173.8	78.1	0	0	114	T805 V806	Q801-T805 VanDerWaalsContact OE1-CG2 3.3Å; Q801-V806 HydrophobicContact CB-CG2 3.99Å; Q801-V806 HydrophobicContact CG-CG2 4.33Å
802	A	96.9	Very high	97.5	Very high	48 Å²	48	16.1 Å²	16.1	40%	0.397	9%	0.089	S	C	.	.			trans	-97	162.7	175.3	0	0	0	0	0	110.8	E804 T805 V806	A802-E804 WeakPolarHBondContact CB-OE2 3.37Å; A802-E804 PolarHBondContact O-N 3.39Å; A802-T805 PolarHBondContact O-N 3.05Å; A802-V806 PolarHBondContact O-N 3.3Å
803	L	97.3	Very high	97.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.7	178.5	177.5	59.4	0	0	0	112.4	G736 S737 F739 T805 T807 N811 I812 K815 I1056	G736-L803 CarbonylContact C-O 3.26Å; G736-L803 WeakPolarHBondContact CA-O 3.45Å; S737-L803 PolarHBondContact N-O 3.37Å; F739-L803 HydrophobicContact CB-CD2 3.8Å; F739-L803 HydrophobicContact CD2-CD2 3.71Å; F739-L803 HydrophobicContact CG-CD2 4.05Å; L803-T805 PolarHBondContact O-N 3.25Å; L803-T807 HydrophobicContact CD1-CG2 3.92Å; L803-T807 PolarHBondContact O-OG1 3.06Å; L803-N811 HydrophobicContact CB-CB 4.29Å; L803-N811 HydrophobicContact CD1-CB 4.32Å; L803-I812 HydrophobicContact CD1-CG1 3.68Å; L803-I812 HydrophobicContact CD2-CG1 4.43Å; L803-K815 HydrophobicContact CD2-CD 4.44Å; L803-K815 HydrophobicContact CD2-CG 3.82Å; L803-I1056 HydrophobicContact CD1-CD1 3.97Å; L803-I1056 HydrophobicContact CD2-CD1 3.96Å; L803-I1056 HydrophobicContact CG-CD1 4.38Å
804	E	95.5	Very high	97.5	Very high	70 Å²	70	18.4 Å²	18.4	33%	0.327	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.8	-179.3	-66.6	78.4	-177.8	0	0	113.5	N734 S737 A802 K815 R1053	N734-E804 PolarHBondContact OD1-O 3.48Å; S737-E804 WeakPolarHBondContact O-CA 3.34Å; A802-E804 WeakPolarHBondContact CB-OE2 3.37Å; A802-E804 PolarHBondContact O-N 3.39Å; E804-K815 VanDerWaalsContact CD-NZ 3.27Å; E804-K815 WeakPolarHBondContact OE1-CE 3.21Å; E804-K815 IonicContact OE1-NZ 2.79Å; E804-K815 PolarHBondContact OE1-NZ 3Å; E804-K815 IonicContact OE2-NZ 2.97Å; E804-K815 PolarHBondContact OE2-NZ 2.03Å; E804-K815 VanDerWaalsContact OE2-NZ 3.15Å; E804-R1053 PolarHBondContact O-NH1 2.83Å; E804-R1053 PolarHBondContact O-NH2 3.44Å
805	T	95.6	Very high	97.5	Very high	46 Å²	46	21.5 Å²	21.5	28%	0.282	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-37.1	179.4	-46.6	0	0	0	0	113.3	N734 W735 G736 Q801 A802 L803	N734-T805 HydrophobicContact CB-CG2 3.89Å; W735-T805 PolarHBondContact N-O 3.16Å; G736-T805 VanDerWaalsContact CA-C 3.49Å; G736-T805 PolarHBondContact N-O 2.95Å; Q801-T805 VanDerWaalsContact OE1-CG2 3.3Å; A802-T805 PolarHBondContact O-N 3.05Å; L803-T805 PolarHBondContact O-N 3.25Å
806	V	96.8	Very high	97.4	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.018	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-135.7	113.4	-179.2	178.3	0	0	0	0	108.3	V793 D800 Q801 A802 T808 N811	V793-V806 HydrophobicContact CB-CG1 4.2Å; V793-V806 HydrophobicContact CG1-CG1 3.68Å; V793-V806 HydrophobicContact CG1-CG2 4.45Å; D800-V806 WeakPolarHBondContact O-CB 3.36Å; Q801-V806 HydrophobicContact CB-CG2 3.99Å; Q801-V806 HydrophobicContact CG-CG2 4.33Å; A802-V806 PolarHBondContact O-N 3.3Å; V806-T808 HydrophobicContact CG1-CG2 4.03Å; V806-N811 PolarHBondContact O-ND2 3.49Å
807	T	97.9	Very high	97.3	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	12%	0.121	C	C	.	.			trans	-88.1	119.9	176.3	-60.3	0	0	0	0	111.3	W735 G736 S737 L803 I812 A1026 A1029 I1030	W735-T807 PolarHBondContact O-N 2.77Å; W735-T807 PolarHBondContact O-OG1 3.14Å; G736-T807 WeakPolarHBondContact CA-OG1 3.49Å; S737-T807 WeakPolarHBondContact CB-OG1 3.3Å; S737-T807 PolarHBondContact N-OG1 3.03Å; S737-T807 PolarHBondContact OG-OG1 3.02Å; L803-T807 HydrophobicContact CD1-CG2 3.92Å; L803-T807 PolarHBondContact O-OG1 3.06Å; T807-I812 HydrophobicContact CG2-CD1 4.22Å; T807-I812 HydrophobicContact CG2-CG1 4.47Å; T807-A1026 WeakPolarHBondContact O-CA 3.48Å; T807-A1029 HydrophobicContact CG2-CB 4.2Å; T807-I1030 HydrophobicContact CG2-CD1 4.27Å; T807-I1030 HydrophobicContact CG2-CG1 3.72Å
808	T	98.5	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.			trans	-144.9	158.3	173.1	62.3	0	0	0	0	108.4	S794 G798 V806 P810 N811 I812 A1029	S794-T808 VanDerWaalsContact O-CG2 3.28Å; S794-T808 WeakPolarHBondContact O-CG2 3.44Å; G798-T808 VanDerWaalsContact O-CB 3.23Å; G798-T808 WeakPolarHBondContact O-CB 3.06Å; G798-T808 PolarHBondContact O-OG1 3.25Å; V806-T808 HydrophobicContact CG1-CG2 4.03Å; T808-P810 VanDerWaalsContact C-N 3.35Å; T808-N811 PolarHBondContact O-N 3.42Å; T808-N811 WeakPolarHBondContact OG1-CB 3.42Å; T808-N811 VanDerWaalsContact OG1-CG 3.32Å; T808-N811 PolarHBondContact OG1-N 3.49Å; T808-I812 WeakPolarHBondContact O-CG1 3.48Å; T808-I812 PolarHBondContact O-N 2.85Å; T808-A1029 VanDerWaalsContact CA-CB 3.48Å
809	L	98.6	Very high	97.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-54.4	-44.7	177	174.3	66.2	0	0	0	112.5	W795 N811 I812 L813 L871 L1032 W1033 M1036	W795-L809 PolarHBondContact O-N 2.93Å; L809-N811 VanDerWaalsContact C-N 3.35Å; L809-N811 PolarHBondContact O-N 3.22Å; L809-I812 PolarHBondContact O-N 3.32Å; L809-L813 HydrophobicContact CD1-CD1 4.1Å; L809-L813 HydrophobicContact CD1-CG 4.25Å; L809-L813 HydrophobicContact CG-CD1 3.99Å; L809-L813 WeakPolarHBondContact O-CG 3.38Å; L809-L813 PolarHBondContact O-N 3.4Å; L809-L871 HydrophobicContact CD2-CD2 3.91Å; L809-L1032 HydrophobicContact CD2-CD2 3.65Å; L809-L1032 HydrophobicContact CD2-CG 4.36Å; L809-W1033 HydrophobicContact CD1-CB 4.47Å; L809-W1033 HydrophobicContact CD1-CE3 3.95Å; L809-M1036 HydrophobicContact CD1-SD 4.03Å; L809-M1036 HydrophobicContact CD2-SD 4.45Å
810	P	98.6	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-34.3	174.6	-24.7	35.6	0	0	0	114.2	V765 G798 T808 I812 L813 K814 L820 F823	V765-P810 HydrophobicContact CG2-CB 4.31Å; V765-P810 HydrophobicContact CG2-CG 4.04Å; G798-P810 WeakPolarHBondContact O-CB 3.43Å; G798-P810 WeakPolarHBondContact O-CD 3.49Å; G798-P810 VanDerWaalsContact O-CG 3.29Å; G798-P810 WeakPolarHBondContact O-CG 3.48Å; T808-P810 VanDerWaalsContact C-N 3.35Å; P810-I812 VanDerWaalsContact C-N 3.31Å; P810-L813 PolarHBondContact O-N 3.41Å; P810-K814 WeakPolarHBondContact O-CB 3.36Å; P810-K814 VanDerWaalsContact O-CG 3.31Å; P810-K814 WeakPolarHBondContact O-CG 3.37Å; P810-K814 PolarHBondContact O-N 2.87Å; P810-L820 HydrophobicContact CB-CD2 3.92Å; P810-F823 HydrophobicContact CB-CB 3.75Å; P810-F823 HydrophobicContact CB-CG 4.33Å; P810-F823 HydrophobicContact CG-CB 3.9Å
811	N	98.5	Very high	97.1	Very high	2 Å²	2	36 Å²	36	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-31.8	177	-77.3	-10.4	0	0	0	112.2	G799 D800 L803 V806 T808 L809 K814	G799-N811 WeakPolarHBondContact CA-OD1 3.34Å; D800-N811 PolarHBondContact O-ND2 2.85Å; L803-N811 HydrophobicContact CB-CB 4.29Å; L803-N811 HydrophobicContact CD1-CB 4.32Å; V806-N811 PolarHBondContact O-ND2 3.49Å; T808-N811 PolarHBondContact O-N 3.42Å; T808-N811 WeakPolarHBondContact OG1-CB 3.42Å; T808-N811 VanDerWaalsContact OG1-CG 3.32Å; T808-N811 PolarHBondContact OG1-N 3.49Å; L809-N811 VanDerWaalsContact C-N 3.35Å; L809-N811 PolarHBondContact O-N 3.22Å; N811-K814 WeakPolarHBondContact OD1-CE 3.39Å; N811-K814 PolarHBondContact OD1-NZ 3.08Å
812	I	98.3	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-51.5	170.2	-58.8	170.7	0	0	0	110.1	F739 L803 T807 T808 L809 P810 K814 K815 W1033 I1056	F739-I812 HydrophobicContact CE2-CG2 4.35Å; L803-I812 HydrophobicContact CD1-CG1 3.68Å; L803-I812 HydrophobicContact CD2-CG1 4.43Å; T807-I812 HydrophobicContact CG2-CD1 4.22Å; T807-I812 HydrophobicContact CG2-CG1 4.47Å; T808-I812 WeakPolarHBondContact O-CG1 3.48Å; T808-I812 PolarHBondContact O-N 2.85Å; L809-I812 PolarHBondContact O-N 3.32Å; P810-I812 VanDerWaalsContact C-N 3.31Å; I812-K814 VanDerWaalsContact C-N 3.27Å; I812-K814 PolarHBondContact O-N 3.35Å; I812-K815 VanDerWaalsContact O-CB 3.28Å; I812-K815 WeakPolarHBondContact O-CB 3.37Å; I812-K815 PolarHBondContact O-N 2.81Å; I812-W1033 HydrophobicContact CB-CD2 4.47Å; I812-W1033 HydrophobicContact CD1-CB 3.73Å; I812-W1033 HydrophobicContact CD1-CG 3.92Å; I812-W1033 HydrophobicContact CG2-CD2 3.49Å; I812-W1033 VanDerWaalsContact CG2-CD2 3.49Å; I812-W1033 HydrophobicContact CG2-CE3 3.74Å; I812-W1033 HydrophobicContact CG2-CG 3.92Å; I812-W1033 HydrophobicContact CG2-CH2 4.15Å; I812-W1033 HydrophobicContact CG2-CZ2 3.94Å; I812-W1033 HydrophobicContact CG2-CZ3 4.07Å; I812-I1056 HydrophobicContact CD1-CD1 4.02Å; I812-I1056 HydrophobicContact CD1-CG1 4.39Å; I812-I1056 HydrophobicContact CG1-CD1 3.92Å; I812-I1056 HydrophobicContact CG2-CG2 4.44Å
813	L	98	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-34	-179.9	-75.5	168.7	0	0	0	113.2	P759 I762 V765 L809 P810 K815 F816 N817 L820 L871 W1033	P759-L813 HydrophobicContact CB-CD2 4.16Å; I762-L813 HydrophobicContact CD1-CD2 3.84Å; V765-L813 HydrophobicContact CG1-CD1 3.63Å; L809-L813 HydrophobicContact CD1-CD1 4.1Å; L809-L813 HydrophobicContact CD1-CG 4.25Å; L809-L813 HydrophobicContact CG-CD1 3.99Å; L809-L813 WeakPolarHBondContact O-CG 3.38Å; L809-L813 PolarHBondContact O-N 3.4Å; P810-L813 PolarHBondContact O-N 3.41Å; L813-K815 PolarHBondContact O-N 3.22Å; L813-K815 VanDerWaalsContact O-N 3.14Å; L813-F816 WeakPolarHBondContact O-CA 3.44Å; L813-F816 PolarHBondContact O-N 3.1Å; L813-N817 PolarHBondContact O-N 2.96Å; L813-L820 HydrophobicContact CB-CD2 3.75Å; L813-L820 HydrophobicContact CD1-CD2 4.41Å; L813-L871 HydrophobicContact CD1-CD2 3.95Å; L813-W1033 HydrophobicContact CD2-CZ3 3.73Å; L813-W1033 HydrophobicContact CG-CZ3 4.3Å
814	K	97.4	Very high	97.2	Very high	50 Å²	50	30.4 Å²	30.4	22%	0.217	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.6	174.7	-81.8	-174.5	-59.5	179.4	0	114.1	G799 P810 N811 I812 F816 N817 L820 F823	G799-K814 PolarHBondContact O-NZ 3.18Å; P810-K814 WeakPolarHBondContact O-CB 3.36Å; P810-K814 VanDerWaalsContact O-CG 3.31Å; P810-K814 WeakPolarHBondContact O-CG 3.37Å; P810-K814 PolarHBondContact O-N 2.87Å; N811-K814 WeakPolarHBondContact OD1-CE 3.39Å; N811-K814 PolarHBondContact OD1-NZ 3.08Å; I812-K814 VanDerWaalsContact C-N 3.27Å; I812-K814 PolarHBondContact O-N 3.35Å; K814-F816 VanDerWaalsContact C-N 3.28Å; K814-N817 WeakPolarHBondContact CA-O 3.4Å; K814-L820 HydrophobicContact CG-CB 4.09Å; K814-L820 HydrophobicContact CG-CD2 4.22Å; K814-F823 HydrophobicContact CD-CE1 4.41Å; K814-F823 HydrophobicContact CD-CZ 4.41Å
815	K	96.8	Very high	97.3	Very high	64 Å²	64	31.6 Å²	31.6	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.5	171.3	-62.6	-64.6	-175	179	0	112.3	F739 L803 E804 I812 L813	F739-K815 HydrophobicContact CD1-CB 4.12Å; F739-K815 HydrophobicContact CD1-CD 4.38Å; F739-K815 HydrophobicContact CD1-CG 4.08Å; F739-K815 HydrophobicContact CD2-CB 4.28Å; F739-K815 HydrophobicContact CD2-CG 3.96Å; F739-K815 HydrophobicContact CE1-CB 3.78Å; F739-K815 HydrophobicContact CE1-CG 4.24Å; F739-K815 HydrophobicContact CE2-CB 3.93Å; F739-K815 HydrophobicContact CE2-CG 4.11Å; F739-K815 HydrophobicContact CG-CB 4.36Å; F739-K815 HydrophobicContact CG-CD 4.41Å; F739-K815 HydrophobicContact CG-CG 3.93Å; F739-K815 HydrophobicContact CZ-CB 3.66Å; F739-K815 HydrophobicContact CZ-CG 4.25Å; L803-K815 HydrophobicContact CD2-CD 4.44Å; L803-K815 HydrophobicContact CD2-CG 3.82Å; E804-K815 VanDerWaalsContact CD-NZ 3.27Å; E804-K815 WeakPolarHBondContact OE1-CE 3.21Å; E804-K815 IonicContact OE1-NZ 2.79Å; E804-K815 PolarHBondContact OE1-NZ 3Å; E804-K815 IonicContact OE2-NZ 2.97Å; E804-K815 PolarHBondContact OE2-NZ 2.03Å; E804-K815 VanDerWaalsContact OE2-NZ 3.15Å; I812-K815 VanDerWaalsContact O-CB 3.28Å; I812-K815 WeakPolarHBondContact O-CB 3.37Å; I812-K815 PolarHBondContact O-N 2.81Å; L813-K815 PolarHBondContact O-N 3.22Å; L813-K815 VanDerWaalsContact O-N 3.14Å
816	F	95.7	Very high	97.3	Very high	17 Å²	17	30.5 Å²	30.5	8%	0.075	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-38.4	176.9	-62	-92.1	0	0	0	112.4	F739 L744 P759 L813 K814 W1033 P1059	F739-F816 AromaticContact CE2-CE2 3.78Å; F739-F816 HydrophobicContact CE2-CE2 3.78Å; F739-F816 HydrophobicContact CE2-CZ 4.17Å; F739-F816 HydrophobicContact CZ-CD2 4.3Å; F739-F816 HydrophobicContact CZ-CE1 4.46Å; F739-F816 AromaticContact CZ-CE2 3.53Å; F739-F816 HydrophobicContact CZ-CE2 3.53Å; F739-F816 AromaticContact CZ-CZ 3.63Å; F739-F816 HydrophobicContact CZ-CZ 3.63Å; L744-F816 HydrophobicContact CD2-CD1 3.37Å; L744-F816 HydrophobicContact CD2-CD2 4.45Å; L744-F816 HydrophobicContact CD2-CE1 3.38Å; L744-F816 HydrophobicContact CD2-CE2 4.45Å; L744-F816 HydrophobicContact CD2-CG 3.95Å; L744-F816 HydrophobicContact CD2-CZ 3.95Å; P759-F816 HydrophobicContact CB-CB 4.07Å; P759-F816 HydrophobicContact CB-CD1 3.87Å; P759-F816 HydrophobicContact CB-CD2 3.89Å; P759-F816 HydrophobicContact CB-CE1 4.25Å; P759-F816 HydrophobicContact CB-CE2 4.28Å; P759-F816 HydrophobicContact CB-CG 3.68Å; P759-F816 HydrophobicContact CB-CZ 4.44Å; P759-F816 HydrophobicContact CG-CD1 4.39Å; P759-F816 HydrophobicContact CG-CE1 4.33Å; L813-F816 WeakPolarHBondContact O-CA 3.44Å; L813-F816 PolarHBondContact O-N 3.1Å; K814-F816 VanDerWaalsContact C-N 3.28Å; F816-W1033 AromaticContact CD2-CH2 3.88Å; F816-W1033 HydrophobicContact CD2-CH2 3.88Å; F816-W1033 HydrophobicContact CD2-CZ2 4.4Å; F816-W1033 AromaticContact CE2-CH2 3.28Å; F816-W1033 HydrophobicContact CE2-CH2 3.28Å; F816-W1033 AromaticContact CE2-CZ2 3.4Å; F816-W1033 HydrophobicContact CE2-CZ2 3.4Å; F816-W1033 HydrophobicContact CE2-CZ3 4.38Å; F816-W1033 AromaticContact CZ-CH2 3.79Å; F816-W1033 HydrophobicContact CZ-CH2 3.79Å; F816-W1033 AromaticContact CZ-CZ2 3.66Å; F816-W1033 HydrophobicContact CZ-CZ2 3.66Å; F816-P1059 HydrophobicContact CE1-CG 4.14Å; F816-P1059 HydrophobicContact CZ-CG 4.16Å
817	N	95.9	Very high	97.1	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.112	19%	0.187	C	C	.	.			trans	-134	96.8	178.3	-177.5	4.8	0	0	0	111.1	I762 L813 K814 D819 L820	I762-N817 PolarHBondContact O-ND2 3.13Å; L813-N817 PolarHBondContact O-N 2.96Å; K814-N817 WeakPolarHBondContact CA-O 3.4Å; N817-D819 PolarHBondContact O-N 3.29Å; N817-D819 PolarHBondContact OD1-N 3.11Å; N817-D819 VanDerWaalsContact OD1-N 3.07Å; N817-L820 WeakPolarHBondContact O-CB 3.45Å; N817-L820 PolarHBondContact O-N 2.93Å
818	P	95.4	Very high	96.7	Very high	103 Å²	103	36.9 Å²	36.9	67%	0.669	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.9	178.3	-24.9	35.3	0	0	0	114.8	L820	P818-L820 VanDerWaalsContact C-N 3.29Å; P818-L820 PolarHBondContact O-N 3Å
819	D	96	Very high	96.1	Very high	128 Å²	128	41.8 Å²	41.8	68%	0.684	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	14.4	-178.5	-65	-40.2	0	0	0	113.2	N817 K821	N817-D819 PolarHBondContact O-N 3.29Å; N817-D819 PolarHBondContact OD1-N 3.11Å; N817-D819 VanDerWaalsContact OD1-N 3.07Å; D819-K821 WeakPolarHBondContact O-CG 3.49Å
820	L	98	Very high	95.4	Very high	8 Å²	8	50 Å²	50	4%	0.042	26%	0.264	C	S	.	.			trans	-54.2	135.9	178.5	-168.8	74.1	0	0	0	112	I762 V765 P810 L813 K814 N817 P818 F823	I762-L820 HydrophobicContact CG2-CD1 4.01Å; I762-L820 WeakPolarHBondContact O-CD1 3.25Å; V765-L820 HydrophobicContact CG1-CD1 4.17Å; V765-L820 HydrophobicContact CG1-CD2 4.15Å; V765-L820 HydrophobicContact CG1-CG 4.48Å; V765-L820 HydrophobicContact CG2-CD2 4.06Å; V765-L820 HydrophobicContact CG2-CG 4.26Å; P810-L820 HydrophobicContact CB-CD2 3.92Å; L813-L820 HydrophobicContact CB-CD2 3.75Å; L813-L820 HydrophobicContact CD1-CD2 4.41Å; K814-L820 HydrophobicContact CG-CB 4.09Å; K814-L820 HydrophobicContact CG-CD2 4.22Å; N817-L820 WeakPolarHBondContact O-CB 3.45Å; N817-L820 PolarHBondContact O-N 2.93Å; P818-L820 VanDerWaalsContact C-N 3.29Å; P818-L820 PolarHBondContact O-N 3Å; L820-F823 VanDerWaalsContact O-CE1 3.24Å; L820-F823 WeakPolarHBondContact O-CE1 3.34Å
821	K	97.9	Very high	94.9	Very high	69 Å²	69	55.7 Å²	55.7	30%	0.3	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-118.8	165.8	-177.9	-62	170.2	-171.4	160.6	0	112.1	Q763 V764 V765 D819 F823 E862 V863	Q763-K821 PolarHBondContact O-N 3.03Å; V764-K821 WeakPolarHBondContact CA-O 3.32Å; V764-K821 HydrophobicContact CG2-CB 4.48Å; V765-K821 WeakPolarHBondContact CG2-O 3.34Å; V765-K821 PolarHBondContact N-O 2.74Å; D819-K821 WeakPolarHBondContact O-CG 3.49Å; K821-F823 VanDerWaalsContact C-N 3.35Å; K821-F823 PolarHBondContact O-N 3.06Å; K821-E862 HydrophobicContact CD-CB 4.1Å; K821-E862 VanDerWaalsContact CD-O 3.29Å; K821-E862 WeakPolarHBondContact CD-O 3.29Å; K821-E862 WeakPolarHBondContact CE-O 3.47Å; K821-E862 PolarHBondContact NZ-O 2.84Å; K821-V863 HydrophobicContact CD-CG2 4.39Å
822	G	97.3	Very high	94.6	Very high	15 Å²	15	58.9 Å²	58.9	16%	0.155	30%	0.304	C	S	.	.	S	Bend	trans	88.2	-11.3	170.8	0	0	0	0	0	115.9	V765 F834	V765-G822 CarbonylContact O-C 3.59Å; V765-G822 WeakPolarHBondContact O-CA 3.37Å; G822-F834 VanDerWaalsContact CA-CD2 3.43Å; G822-F834 PolarHBondContact O-N 3.31Å
823	F	97.8	Very high	94.5	Very high	37 Å²	37	60.6 Å²	60.6	16%	0.162	32%	0.321	C	S	.	.			trans	-69.1	155.4	176	67.2	-92.5	0	0	0	112.4	V765 I797 P810 K814 L820 K821 K825	V765-F823 HydrophobicContact CG2-CB 3.85Å; I797-F823 CarbonylContact O-C 3.58Å; I797-F823 WeakPolarHBondContact O-CA 3.46Å; I797-F823 WeakPolarHBondContact O-CB 3.2Å; P810-F823 HydrophobicContact CB-CB 3.75Å; P810-F823 HydrophobicContact CB-CG 4.33Å; P810-F823 HydrophobicContact CG-CB 3.9Å; K814-F823 HydrophobicContact CD-CE1 4.41Å; K814-F823 HydrophobicContact CD-CZ 4.41Å; L820-F823 VanDerWaalsContact O-CE1 3.24Å; L820-F823 WeakPolarHBondContact O-CE1 3.34Å; K821-F823 VanDerWaalsContact C-N 3.35Å; K821-F823 PolarHBondContact O-N 3.06Å; F823-K825 HydrophobicContact CD2-CG 4.23Å; F823-K825 HydrophobicContact CE2-CD 4.2Å; F823-K825 HydrophobicContact CE2-CG 3.95Å
824	S	97.8	Very high	94.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-96.2	151.8	-177.5	60.6	0	0	0	0	112.4	K791 I797 G798 G799 Q831 K832	K791-S824 PolarHBondContact O-OG 2.93Å; I797-S824 PolarHBondContact O-N 3.08Å; I797-S824 PolarHBondContact O-OG 2.93Å; I797-S824 VanDerWaalsContact O-OG 3.11Å; G798-S824 CarbonylContact C-O 3.59Å; G799-S824 PolarHBondContact N-O 3.37Å; S824-Q831 WeakPolarHBondContact CA-O 3.35Å; S824-K832 VanDerWaalsContact CB-O 3.28Å; S824-K832 WeakPolarHBondContact CB-O 3.34Å
825	K	96.8	Very high	94.5	Very high	96 Å²	96	58.5 Å²	58.5	42%	0.417	31%	0.312	S	S	.	.			trans	-131.7	153	178.4	-67.5	-176.1	-180	177.5	0	111.4	D800 F823 Q831	D800-K825 WeakPolarHBondContact OD1-CA 3.36Å; F823-K825 HydrophobicContact CD2-CG 4.23Å; F823-K825 HydrophobicContact CE2-CD 4.2Å; F823-K825 HydrophobicContact CE2-CG 3.95Å; K825-Q831 HydrophobicContact CB-CB 4.2Å; K825-Q831 PolarHBondContact N-O 3.35Å; K825-Q831 VanDerWaalsContact O-CB 3.29Å; K825-Q831 WeakPolarHBondContact O-CB 3.42Å
826	G	94.6	Very high	94.6	Very high	22 Å²	22	56.4 Å²	56.4	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	59.6	-141.5	173.5	0	0	0	0	0	114	Y790 K791 G792 D800	Y790-G826 CarbonylContact C-O 3.47Å; K791-G826 PolarHBondContact N-O 3.42Å; G792-G826 PolarHBondContact N-O 3.11Å; D800-G826 PolarHBondContact OD1-N 3.44Å
827	Q	93.5	Very high	94.6	Very high	117 Å²	117	55.6 Å²	55.6	55%	0.547	30%	0.3	S	S	.	.	S	Bend	trans	-120.3	149.1	-173.1	-62.5	171.2	9.9	0	0	112	T788 E789 Y790	T788-Q827 HydrophobicContact CG2-CB 4.2Å; T788-Q827 HydrophobicContact CG2-CG 4.02Å; E789-Q827 CarbonylContact O-C 3.53Å; E789-Q827 VanDerWaalsContact O-CA 3.32Å; E789-Q827 WeakPolarHBondContact O-CA 3.4Å; Y790-Q827 HydrophobicContact CD1-CG 3.77Å; Y790-Q827 HydrophobicContact CE1-CG 4.15Å; Y790-Q827 HydrophobicContact CG-CG 4.47Å
828	G	88.5	Confident	94.6	Very high	24 Å²	24	58.1 Å²	58.1	25%	0.247	32%	0.317	C	S	.	.	S	Bend	trans	70	-152.9	171.5	0	0	0	0	0	114.5	E789 K791	E789-G828 PolarHBondContact O-N 2.77Å; K791-G828 VanDerWaalsContact CD-O 3.32Å; K791-G828 WeakPolarHBondContact CD-O 3.36Å; K791-G828 WeakPolarHBondContact CE-O 3.3Å
829	Q	85.8	Confident	94.5	Very high	102 Å²	102	55.3 Å²	55.3	48%	0.477	30%	0.302	S	S	.	.	S	Bend	trans	-92.4	-16.4	-166	-64.6	-69	-46.4	0	0	114.9	E789 Q831 K832	E789-Q829 PolarHBondContact OE2-NE2 3.25Å; E789-Q829 VanDerWaalsContact OE2-NE2 3.15Å; Q829-Q831 PolarHBondContact O-N 3.29Å; Q829-K832 WeakPolarHBondContact O-CG 3.4Å; Q829-K832 VanDerWaalsContact OE1-NZ 3.07Å
830	L	84	Confident	94.2	Very high	175 Å²	175	51.4 Å²	51.4	92%	0.916	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-37.5	-172.2	-72.1	170.8	0	0	0	113.2
831	Q	89	Confident	94.1	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	37	-176.9	-68.2	-174.4	-27.6	0	0	111.6	S824 K825 Q829 G833	S824-Q831 WeakPolarHBondContact CA-O 3.35Å; K825-Q831 HydrophobicContact CB-CB 4.2Å; K825-Q831 PolarHBondContact N-O 3.35Å; K825-Q831 VanDerWaalsContact O-CB 3.29Å; K825-Q831 WeakPolarHBondContact O-CB 3.42Å; Q829-Q831 PolarHBondContact O-N 3.29Å; Q831-G833 VanDerWaalsContact C-N 3.26Å; Q831-G833 PolarHBondContact O-N 3.16Å
832	K	91.8	Very high	94.1	Very high	69 Å²	69	50.4 Å²	50.4	30%	0.3	29%	0.288	S	S	.	.			trans	-72.7	-11.8	-175	72.2	-178	-175.7	171.8	0	115.2	K791 S824 Q829 F834 N835	K791-K832 HydrophobicContact CD-CB 3.63Å; S824-K832 VanDerWaalsContact CB-O 3.28Å; S824-K832 WeakPolarHBondContact CB-O 3.34Å; Q829-K832 WeakPolarHBondContact O-CG 3.4Å; Q829-K832 VanDerWaalsContact OE1-NZ 3.07Å; K832-F834 PolarHBondContact O-N 2.99Å; K832-N835 VanDerWaalsContact O-CB 3.22Å; K832-N835 WeakPolarHBondContact O-CB 3.37Å; K832-N835 PolarHBondContact O-N 2.66Å
833	G	95.8	Very high	94.1	Very high	35 Å²	35	49.8 Å²	49.8	36%	0.361	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-128.8	-174.1	0	0	0	0	0	111.5	Q831	Q831-G833 VanDerWaalsContact C-N 3.26Å; Q831-G833 PolarHBondContact O-N 3.16Å
834	F	98.3	Very high	94	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	23.8	173.6	-61.2	-37.7	0	0	0	113.9	V764 A766 A767 G822 K832 M836 L853 A856 M857 N860 V863	V764-F834 HydrophobicContact CG1-CD2 3.65Å; V764-F834 HydrophobicContact CG1-CE2 3.59Å; A766-F834 HydrophobicContact CB-CB 3.66Å; A767-F834 PolarHBondContact N-O 3.29Å; A767-F834 VanDerWaalsContact N-O 3.12Å; G822-F834 VanDerWaalsContact CA-CD2 3.43Å; G822-F834 PolarHBondContact O-N 3.31Å; K832-F834 PolarHBondContact O-N 2.99Å; F834-M836 HydrophobicContact CD1-CE 4.26Å; F834-M836 PolarHBondContact O-N 3.21Å; F834-L853 HydrophobicContact CB-CD1 3.71Å; F834-L853 HydrophobicContact CD1-CD1 4.27Å; F834-L853 HydrophobicContact CG-CD1 4.05Å; F834-A856 HydrophobicContact CD1-CB 4.11Å; F834-A856 HydrophobicContact CE1-CB 3.99Å; F834-M857 HydrophobicContact CD1-CG 4.38Å; F834-M857 HydrophobicContact CD2-CE 4.04Å; F834-M857 HydrophobicContact CD2-CG 4.24Å; F834-M857 HydrophobicContact CE1-CG 4.09Å; F834-M857 HydrophobicContact CE2-CE 4.41Å; F834-M857 HydrophobicContact CE2-CG 3.95Å; F834-M857 HydrophobicContact CG-CE 4.49Å; F834-M857 HydrophobicContact CG-CG 4.47Å; F834-M857 HydrophobicContact CZ-CB 4.44Å; F834-M857 HydrophobicContact CZ-CG 3.86Å; F834-N860 HydrophobicContact CE1-CB 4.38Å; F834-N860 HydrophobicContact CZ-CB 3.94Å; F834-V863 HydrophobicContact CE2-CG2 3.83Å; F834-V863 HydrophobicContact CZ-CG2 3.98Å
835	N	98.3	Very high	94	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-78.2	99.1	165.8	-173.1	-16.2	0	0	0	109.4	T773 K791 I797 K832 A837	T773-N835 PolarHBondContact O-ND2 2.95Å; K791-N835 HydrophobicContact CD-CB 4.38Å; I797-N835 HydrophobicContact CG1-CB 4.14Å; I797-N835 HydrophobicContact CG2-CB 3.72Å; I797-N835 WeakPolarHBondContact CG2-ND2 3.44Å; K832-N835 VanDerWaalsContact O-CB 3.22Å; K832-N835 WeakPolarHBondContact O-CB 3.37Å; K832-N835 PolarHBondContact O-N 2.66Å; N835-A837 VanDerWaalsContact OD1-CB 3.28Å; N835-A837 WeakPolarHBondContact OD1-CB 3.43Å; N835-A837 PolarHBondContact OD1-N 2.88Å; N835-A837 VanDerWaalsContact OD1-N 3.11Å
836	M	97.9	Very high	94.1	Very high	19 Å²	19	51 Å²	51	9%	0.094	29%	0.291	C	S	.	.			trans	-95	3.6	178.2	-58.3	-63.6	154.3	0	0	112.9	A767 L768 F834 Q849 A852 L853 A856	A767-M836 PolarHBondContact O-N 2.87Å; L768-M836 HydrophobicContact CD2-CB 3.8Å; L768-M836 HydrophobicContact CD2-CG 4.28Å; F834-M836 HydrophobicContact CD1-CE 4.26Å; F834-M836 PolarHBondContact O-N 3.21Å; M836-Q849 HydrophobicContact CB-CB 4.14Å; M836-Q849 VanDerWaalsContact O-CD 3.22Å; M836-Q849 WeakPolarHBondContact O-CG 3.32Å; M836-Q849 PolarHBondContact O-OE1 2.86Å; M836-A852 HydrophobicContact SD-CB 4.13Å; M836-L853 HydrophobicContact CE-CD1 4.35Å; M836-L853 HydrophobicContact CG-CB 3.93Å; M836-L853 HydrophobicContact CG-CD1 4.19Å; M836-A856 HydrophobicContact CE-CB 3.76Å
837	A	97.4	Very high	94.2	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.287	C	S	.	.			trans	-66.2	144.6	177.8	0	0	0	0	0	111.8	G769 T773 A774 K791 N835	G769-A837 VanDerWaalsContact O-CA 3.29Å; G769-A837 WeakPolarHBondContact O-CA 3.24Å; G769-A837 WeakPolarHBondContact O-CB 3.38Å; T773-A837 HydrophobicContact CG2-CB 3.5Å; A774-A837 HydrophobicContact CB-CB 4.23Å; K791-A837 PolarHBondContact NZ-O 3.31Å; N835-A837 VanDerWaalsContact OD1-CB 3.28Å; N835-A837 WeakPolarHBondContact OD1-CB 3.43Å; N835-A837 PolarHBondContact OD1-N 2.88Å; N835-A837 VanDerWaalsContact OD1-N 3.11Å
838	V	94.9	Very high	94.5	Very high	74 Å²	74	48.2 Å²	48.2	45%	0.448	29%	0.285	S	S	.	.			trans	-128.7	130	-174.8	178.9	0	0	0	0	109.2	G769 D770 G840 A841	G769-V838 PolarHBondContact O-N 3.29Å; G769-V838 VanDerWaalsContact O-N 3.15Å; D770-V838 CarbonylContact C-O 3.53Å; D770-V838 WeakPolarHBondContact CA-O 2.82Å; V838-G840 PolarHBondContact O-N 3.36Å; V838-A841 HydrophobicContact CB-CB 4.17Å; V838-A841 VanDerWaalsContact O-CB 3.28Å; V838-A841 WeakPolarHBondContact O-CB 3.15Å; V838-A841 PolarHBondContact O-N 2.81Å; V838-A841 VanDerWaalsContact O-N 3.09Å
839	A	92.4	Very high	94.9	Very high	43 Å²	43	47.6 Å²	47.6	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	128.1	175.3	0	0	0	0	0	111.2	A841	A839-A841 VanDerWaalsContact C-N 3.31Å; A839-A841 PolarHBondContact O-N 3.21Å
840	G	90.8	Very high	95.5	Very high	47 Å²	47	42.8 Å²	42.8	49%	0.485	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.1	-178.2	0	0	0	0	0	115.5	V838	V838-G840 PolarHBondContact O-N 3.36Å
841	A	96.4	Very high	96.2	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	23%	0.234	C	C	.	.			trans	-64.4	147.3	170.9	0	0	0	0	0	111.6	V838 A839 E845 I876 T879	V838-A841 HydrophobicContact CB-CB 4.17Å; V838-A841 VanDerWaalsContact O-CB 3.28Å; V838-A841 WeakPolarHBondContact O-CB 3.15Å; V838-A841 PolarHBondContact O-N 2.81Å; V838-A841 VanDerWaalsContact O-N 3.09Å; A839-A841 VanDerWaalsContact C-N 3.31Å; A839-A841 PolarHBondContact O-N 3.21Å; A841-E845 HydrophobicContact CB-CB 4.43Å; A841-I876 HydrophobicContact CB-CD1 4.24Å; A841-T879 WeakPolarHBondContact O-CB 3.26Å; A841-T879 PolarHBondContact O-OG1 3.14Å
842	K	96.5	Very high	96.7	Very high	51 Å²	51	36.3 Å²	36.3	22%	0.222	23%	0.226	C	C	.	.			trans	-109.9	178.2	170.5	-59.5	174.6	-171.1	167.2	0	109.2	L844 E845 T879 D880 L891	K842-L844 PolarHBondContact O-N 2.96Å; K842-E845 VanDerWaalsContact C-OE2 3.32Å; K842-E845 VanDerWaalsContact CA-OE2 3.27Å; K842-E845 WeakPolarHBondContact CA-OE2 3.02Å; K842-E845 VanDerWaalsContact CB-OE2 3.32Å; K842-E845 WeakPolarHBondContact CB-OE2 3.45Å; K842-E845 PolarHBondContact N-OE2 2.87Å; K842-E845 PolarHBondContact O-N 2.94Å; K842-T879 HydrophobicContact CG-CG2 3.84Å; K842-D880 WeakPolarHBondContact CA-OD2 3.16Å; K842-D880 WeakPolarHBondContact CB-OD2 3.29Å; K842-L891 HydrophobicContact CD-CD1 4.5Å; K842-L891 HydrophobicContact CD-CD2 3.85Å
843	S	96.9	Very high	97	Very high	1 Å²	1	33 Å²	33	1%	0.007	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.2	-34.4	176.7	60.2	0	0	0	0	113.5	E845 L846 D880 F896 N899	S843-E845 PolarHBondContact O-N 2.92Å; S843-L846 WeakPolarHBondContact O-CB 3.33Å; S843-L846 PolarHBondContact O-N 3Å; S843-L846 VanDerWaalsContact O-N 3.12Å; S843-D880 VanDerWaalsContact CB-OD1 3.31Å; S843-D880 WeakPolarHBondContact CB-OD1 3.14Å; S843-D880 PolarHBondContact N-OD1 2.85Å; S843-D880 VanDerWaalsContact N-OD1 3.08Å; S843-D880 PolarHBondContact N-OD2 2.79Å; S843-D880 PolarHBondContact OG-OD1 3.01Å; S843-F896 VanDerWaalsContact CB-CD2 3.45Å; S843-N899 WeakPolarHBondContact O-CB 3.48Å; S843-N899 PolarHBondContact OG-ND2 2.79Å; S843-N899 VanDerWaalsContact OG-ND2 3.11Å
844	L	96.6	Very high	97.1	Very high	88 Å²	88	31.7 Å²	31.7	46%	0.461	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-66	-22.8	-176.1	77	91	0	0	0	113.7	K842 P847 N899	K842-L844 PolarHBondContact O-N 2.96Å; L844-P847 WeakPolarHBondContact O-CD 3.45Å; L844-N899 WeakPolarHBondContact CA-ND2 3.24Å; L844-N899 PolarHBondContact N-ND2 3.05Å
845	E	98	Very high	97.1	Very high	70 Å²	70	37.1 Å²	37.1	33%	0.327	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-85.6	-10.8	177	-66.8	83.6	-172.9	0	0	113.6	A841 K842 S843 A848 Q849	A841-E845 HydrophobicContact CB-CB 4.43Å; K842-E845 VanDerWaalsContact C-OE2 3.32Å; K842-E845 VanDerWaalsContact CA-OE2 3.27Å; K842-E845 WeakPolarHBondContact CA-OE2 3.02Å; K842-E845 VanDerWaalsContact CB-OE2 3.32Å; K842-E845 WeakPolarHBondContact CB-OE2 3.45Å; K842-E845 PolarHBondContact N-OE2 2.87Å; K842-E845 PolarHBondContact O-N 2.94Å; S843-E845 PolarHBondContact O-N 2.92Å; E845-A848 WeakPolarHBondContact O-CB 3.31Å; E845-A848 PolarHBondContact O-N 2.86Å; E845-A848 VanDerWaalsContact O-N 3.13Å; E845-Q849 PolarHBondContact O-N 3.27Å; E845-Q849 VanDerWaalsContact O-N 3.17Å
846	L	98.2	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-41.5	-179.5	-80.2	-176.1	0	0	0	114.4	L768 S843 A848 Q849 V850 I874 I876 L900 T903	L768-L846 HydrophobicContact CB-CD2 3.99Å; S843-L846 WeakPolarHBondContact O-CB 3.33Å; S843-L846 PolarHBondContact O-N 3Å; S843-L846 VanDerWaalsContact O-N 3.12Å; L846-A848 PolarHBondContact O-N 3.38Å; L846-Q849 WeakPolarHBondContact O-CB 3.43Å; L846-Q849 PolarHBondContact O-N 2.95Å; L846-V850 PolarHBondContact O-N 2.94Å; L846-I874 HydrophobicContact CD1-CG2 4.12Å; L846-I874 HydrophobicContact CD2-CG2 4.31Å; L846-I876 HydrophobicContact CD1-CB 4.09Å; L846-I876 HydrophobicContact CD1-CG1 4.39Å; L846-I876 HydrophobicContact CD1-CG2 3.49Å; L846-I876 VanDerWaalsContact CD1-CG2 3.49Å; L846-I876 HydrophobicContact CD2-CB 4.31Å; L846-I876 HydrophobicContact CD2-CD1 4.38Å; L846-I876 HydrophobicContact CD2-CG1 4.36Å; L846-I876 HydrophobicContact CG-CB 4.29Å; L846-I876 HydrophobicContact CG-CG1 4.15Å; L846-I876 HydrophobicContact CG-CG2 4.17Å; L846-L900 HydrophobicContact CD1-CD2 3.55Å; L846-L900 HydrophobicContact CD1-CG 4.48Å; L846-T903 HydrophobicContact CB-CG2 4.09Å; L846-T903 WeakPolarHBondContact CB-OG1 3.27Å; L846-T903 HydrophobicContact CD1-CG2 4.32Å
847	P	98.1	Very high	97.1	Very high	22 Å²	22	37.5 Å²	37.5	14%	0.143	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-36.8	177	-27.5	36.6	0	0	0	113	L844 V850 Q851 L902	L844-P847 WeakPolarHBondContact O-CD 3.45Å; P847-V850 PolarHBondContact O-N 2.89Å; P847-Q851 VanDerWaalsContact O-CG 3.31Å; P847-Q851 WeakPolarHBondContact O-CG 3.42Å; P847-Q851 PolarHBondContact O-N 3.12Å; P847-L902 HydrophobicContact CG-CB 4.34Å
848	A	98.3	Very high	97.1	Very high	60 Å²	60	42.6 Å²	42.6	50%	0.496	25%	0.248	S	C	.	.	H	α-helix	trans	-69.3	-38.2	175.7	0	0	0	0	0	111.7	E845 L846 Q851 A852	E845-A848 WeakPolarHBondContact O-CB 3.31Å; E845-A848 PolarHBondContact O-N 2.86Å; E845-A848 VanDerWaalsContact O-N 3.13Å; L846-A848 PolarHBondContact O-N 3.38Å; A848-Q851 PolarHBondContact O-N 3.48Å; A848-A852 WeakPolarHBondContact O-CB 3.07Å; A848-A852 PolarHBondContact O-N 2.69Å
849	Q	98.5	Very high	97.2	Very high	11 Å²	11	45.4 Å²	45.4	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-41.7	174	-60.7	-172.2	16.9	0	0	111.8	L768 G769 M836 E845 L846 A852 L853	L768-Q849 HydrophobicContact CD2-CB 3.99Å; G769-Q849 PolarHBondContact O-NE2 2.79Å; G769-Q849 PolarHBondContact O-OE1 3.28Å; M836-Q849 HydrophobicContact CB-CB 4.14Å; M836-Q849 VanDerWaalsContact O-CD 3.22Å; M836-Q849 WeakPolarHBondContact O-CG 3.32Å; M836-Q849 PolarHBondContact O-OE1 2.86Å; E845-Q849 PolarHBondContact O-N 3.27Å; E845-Q849 VanDerWaalsContact O-N 3.17Å; L846-Q849 WeakPolarHBondContact O-CB 3.43Å; L846-Q849 PolarHBondContact O-N 2.95Å; Q849-A852 PolarHBondContact O-N 2.94Å; Q849-L853 WeakPolarHBondContact O-CB 3.48Å; Q849-L853 PolarHBondContact O-N 2.83Å
850	V	98.5	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-45.8	173.9	159.9	0	0	0	0	112	L768 L846 P847 A852 L853 I854 T903 M906 L907	L768-V850 HydrophobicContact CD1-CG2 3.33Å; L846-V850 PolarHBondContact O-N 2.94Å; P847-V850 PolarHBondContact O-N 2.89Å; V850-A852 VanDerWaalsContact C-N 3.3Å; V850-A852 PolarHBondContact O-N 2.93Å; V850-L853 WeakPolarHBondContact O-CB 3.25Å; V850-L853 PolarHBondContact O-N 2.86Å; V850-L853 VanDerWaalsContact O-N 3.12Å; V850-I854 HydrophobicContact CG1-CD1 3.53Å; V850-I854 HydrophobicContact CG1-CG1 4.19Å; V850-I854 WeakPolarHBondContact O-CG1 3.14Å; V850-I854 PolarHBondContact O-N 3.09Å; V850-T903 HydrophobicContact CB-CG2 4.49Å; V850-T903 HydrophobicContact CG2-CG2 3.33Å; V850-M906 HydrophobicContact CG1-CB 3.65Å; V850-M906 HydrophobicContact CG1-CE 4.12Å; V850-M906 HydrophobicContact CG1-SD 4.25Å; V850-L907 HydrophobicContact CG1-CD2 4.25Å; V850-L907 HydrophobicContact CG1-CG 4.35Å; V850-L907 HydrophobicContact CG2-CD1 4.36Å; V850-L907 HydrophobicContact CG2-CD2 4.31Å; V850-L907 HydrophobicContact CG2-CG 4.13Å
851	Q	98.6	Very high	97.6	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-44.1	178.3	-74.5	173.2	7.6	0	0	111.5	P847 A848 L853 K855 M906	P847-Q851 VanDerWaalsContact O-CG 3.31Å; P847-Q851 WeakPolarHBondContact O-CG 3.42Å; P847-Q851 PolarHBondContact O-N 3.12Å; A848-Q851 PolarHBondContact O-N 3.48Å; Q851-L853 VanDerWaalsContact C-N 3.33Å; Q851-K855 WeakPolarHBondContact O-CB 3.44Å; Q851-K855 PolarHBondContact O-N 2.76Å; Q851-M906 HydrophobicContact CB-CE 4.49Å; Q851-M906 HydrophobicContact CG-CE 3.24Å; Q851-M906 HydrophobicContact CG-SD 4.23Å
852	A	98.3	Very high	97.5	Very high	46 Å²	46	56.2 Å²	56.2	38%	0.38	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.2	0	0	0	0	0	111.7	M836 A848 Q849 V850 A856	M836-A852 HydrophobicContact SD-CB 4.13Å; A848-A852 WeakPolarHBondContact O-CB 3.07Å; A848-A852 PolarHBondContact O-N 2.69Å; Q849-A852 PolarHBondContact O-N 2.94Å; V850-A852 VanDerWaalsContact C-N 3.3Å; V850-A852 PolarHBondContact O-N 2.93Å; A852-A856 VanDerWaalsContact O-CB 3.25Å; A852-A856 WeakPolarHBondContact O-CB 3.27Å; A852-A856 PolarHBondContact O-N 2.87Å
853	L	98.6	Very high	97.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-52	176.8	-179.4	58.2	0	0	0	111.9	A766 L768 F834 M836 Q849 V850 Q851 K855 A856 M857 V872	A766-L853 HydrophobicContact CB-CD1 3.69Å; A766-L853 HydrophobicContact CB-CD2 3.85Å; A766-L853 HydrophobicContact CB-CG 4.4Å; L768-L853 HydrophobicContact CD2-CB 4.18Å; L768-L853 HydrophobicContact CD2-CD2 3.83Å; L768-L853 HydrophobicContact CG-CD2 4.4Å; F834-L853 HydrophobicContact CB-CD1 3.71Å; F834-L853 HydrophobicContact CD1-CD1 4.27Å; F834-L853 HydrophobicContact CG-CD1 4.05Å; M836-L853 HydrophobicContact CE-CD1 4.35Å; M836-L853 HydrophobicContact CG-CB 3.93Å; M836-L853 HydrophobicContact CG-CD1 4.19Å; Q849-L853 WeakPolarHBondContact O-CB 3.48Å; Q849-L853 PolarHBondContact O-N 2.83Å; V850-L853 WeakPolarHBondContact O-CB 3.25Å; V850-L853 PolarHBondContact O-N 2.86Å; V850-L853 VanDerWaalsContact O-N 3.12Å; Q851-L853 VanDerWaalsContact C-N 3.33Å; L853-K855 VanDerWaalsContact C-N 3.3Å; L853-K855 PolarHBondContact O-N 2.98Å; L853-A856 PolarHBondContact O-N 3.19Å; L853-A856 VanDerWaalsContact O-N 3.17Å; L853-M857 HydrophobicContact CD1-CE 3.75Å; L853-M857 HydrophobicContact CD1-CG 4.13Å; L853-M857 HydrophobicContact CD1-SD 4.14Å; L853-M857 HydrophobicContact CD2-CE 4.31Å; L853-M857 HydrophobicContact CG-CE 4.1Å; L853-M857 HydrophobicContact CG-SD 4.1Å; L853-M857 WeakPolarHBondContact O-CG 3.48Å; L853-M857 PolarHBondContact O-N 3.14Å; L853-V872 HydrophobicContact CD2-CG1 4.2Å; L853-V872 HydrophobicContact CD2-CG2 4.36Å
854	I	98.6	Very high	97.5	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-45.6	-179	-67.7	168	0	0	0	110.1	V850 M857 K858 F865 E910 V911	V850-I854 HydrophobicContact CG1-CD1 3.53Å; V850-I854 HydrophobicContact CG1-CG1 4.19Å; V850-I854 WeakPolarHBondContact O-CG1 3.14Å; V850-I854 PolarHBondContact O-N 3.09Å; I854-M857 PolarHBondContact O-N 2.73Å; I854-K858 HydrophobicContact CG2-CD 4Å; I854-K858 WeakPolarHBondContact O-CG 3.42Å; I854-K858 PolarHBondContact O-N 3.43Å; I854-F865 HydrophobicContact CG2-CZ 4.34Å; I854-E910 HydrophobicContact CD1-CB 4.02Å; I854-V911 HydrophobicContact CD1-CG2 4.16Å; I854-V911 HydrophobicContact CG1-CG2 3.73Å
855	K	98.2	Very high	97.5	Very high	121 Å²	121	55 Å²	55	53%	0.526	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-49.6	176	-177.8	-178.9	176.1	-174.4	0	111.2	Q851 L853 M857 K858 E859	Q851-K855 WeakPolarHBondContact O-CB 3.44Å; Q851-K855 PolarHBondContact O-N 2.76Å; L853-K855 VanDerWaalsContact C-N 3.3Å; L853-K855 PolarHBondContact O-N 2.98Å; K855-M857 VanDerWaalsContact C-N 3.31Å; K855-M857 PolarHBondContact O-N 3.16Å; K855-K858 PolarHBondContact O-N 3.26Å; K855-E859 VanDerWaalsContact CE-CD 3.45Å; K855-E859 WeakPolarHBondContact CE-OE1 3.44Å; K855-E859 WeakPolarHBondContact CE-OE2 3.39Å; K855-E859 HydrophobicContact CG-CG 4.4Å; K855-E859 IonicContact NZ-OE1 3.33Å; K855-E859 WeakPolarHBondContact O-CB 3.45Å; K855-E859 WeakPolarHBondContact O-CG 3.12Å; K855-E859 PolarHBondContact O-N 2.92Å
856	A	97.6	Very high	97.5	Very high	27 Å²	27	57.7 Å²	57.7	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-39	-179.3	0	0	0	0	0	112.4	F834 M836 A852 L853 N860	F834-A856 HydrophobicContact CD1-CB 4.11Å; F834-A856 HydrophobicContact CE1-CB 3.99Å; M836-A856 HydrophobicContact CE-CB 3.76Å; A852-A856 VanDerWaalsContact O-CB 3.25Å; A852-A856 WeakPolarHBondContact O-CB 3.27Å; A852-A856 PolarHBondContact O-N 2.87Å; L853-A856 PolarHBondContact O-N 3.19Å; L853-A856 VanDerWaalsContact O-N 3.17Å; A856-N860 VanDerWaalsContact O-CB 3.3Å; A856-N860 WeakPolarHBondContact O-CB 3.49Å; A856-N860 PolarHBondContact O-N 3.22Å; A856-N860 VanDerWaalsContact O-N 3.17Å
857	M	97.8	Very high	97.4	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-69	-40.8	176.8	-71.2	176.9	161.6	0	0	112.3	V764 A766 F834 L853 I854 K855 E859 N860 F865 K870	V764-M857 HydrophobicContact CG1-CE 4.02Å; A766-M857 HydrophobicContact CB-CE 3.58Å; F834-M857 HydrophobicContact CD1-CG 4.38Å; F834-M857 HydrophobicContact CD2-CE 4.04Å; F834-M857 HydrophobicContact CD2-CG 4.24Å; F834-M857 HydrophobicContact CE1-CG 4.09Å; F834-M857 HydrophobicContact CE2-CE 4.41Å; F834-M857 HydrophobicContact CE2-CG 3.95Å; F834-M857 HydrophobicContact CG-CE 4.49Å; F834-M857 HydrophobicContact CG-CG 4.47Å; F834-M857 HydrophobicContact CZ-CB 4.44Å; F834-M857 HydrophobicContact CZ-CG 3.86Å; L853-M857 HydrophobicContact CD1-CE 3.75Å; L853-M857 HydrophobicContact CD1-CG 4.13Å; L853-M857 HydrophobicContact CD1-SD 4.14Å; L853-M857 HydrophobicContact CD2-CE 4.31Å; L853-M857 HydrophobicContact CG-CE 4.1Å; L853-M857 HydrophobicContact CG-SD 4.1Å; L853-M857 WeakPolarHBondContact O-CG 3.48Å; L853-M857 PolarHBondContact O-N 3.14Å; I854-M857 PolarHBondContact O-N 2.73Å; K855-M857 VanDerWaalsContact C-N 3.31Å; K855-M857 PolarHBondContact O-N 3.16Å; M857-E859 VanDerWaalsContact C-N 3.32Å; M857-E859 PolarHBondContact O-N 3.07Å; M857-N860 PolarHBondContact O-N 3.06Å; M857-F865 HydrophobicContact CB-CD2 3.71Å; M857-F865 HydrophobicContact CB-CE2 3.92Å; M857-K870 HydrophobicContact CE-CB 4.38Å; M857-K870 HydrophobicContact CE-CG 4.11Å; M857-K870 HydrophobicContact SD-CG 4.39Å
858	K	97.5	Very high	97.4	Very high	108 Å²	108	59.1 Å²	59.1	47%	0.47	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-32.2	177.1	-74.2	175	178.6	169	0	112.8	I854 K855 F865 E910	I854-K858 HydrophobicContact CG2-CD 4Å; I854-K858 WeakPolarHBondContact O-CG 3.42Å; I854-K858 PolarHBondContact O-N 3.43Å; K855-K858 PolarHBondContact O-N 3.26Å; K858-F865 HydrophobicContact CD-CE1 4.37Å; K858-F865 HydrophobicContact CD-CZ 4.31Å; K858-F865 VanDerWaalsContact CE-CZ 3.43Å; K858-F865 HydrophobicContact CG-CD1 3.94Å; K858-F865 HydrophobicContact CG-CD2 3.68Å; K858-F865 HydrophobicContact CG-CE1 4.01Å; K858-F865 HydrophobicContact CG-CE2 3.75Å; K858-F865 HydrophobicContact CG-CG 3.78Å; K858-F865 HydrophobicContact CG-CZ 3.93Å; K858-E910 IonicContact NZ-OE2 2.79Å; K858-E910 PolarHBondContact NZ-OE2 3.32Å
859	E	96.9	Very high	97.4	Very high	132 Å²	132	56.3 Å²	56.3	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-87.1	-10.7	-179.6	-69	176	170.8	0	0	113.4	K855 M857	K855-E859 VanDerWaalsContact CE-CD 3.45Å; K855-E859 WeakPolarHBondContact CE-OE1 3.44Å; K855-E859 WeakPolarHBondContact CE-OE2 3.39Å; K855-E859 HydrophobicContact CG-CG 4.4Å; K855-E859 IonicContact NZ-OE1 3.33Å; K855-E859 WeakPolarHBondContact O-CB 3.45Å; K855-E859 WeakPolarHBondContact O-CG 3.12Å; K855-E859 PolarHBondContact O-N 2.92Å; M857-E859 VanDerWaalsContact C-N 3.32Å; M857-E859 PolarHBondContact O-N 3.07Å
860	N	96.6	Very high	97.4	Very high	52 Å²	52	55.9 Å²	55.9	28%	0.278	29%	0.289	S	S	.	.			trans	-82.9	119.8	-177.2	-170.9	-49.2	0	0	0	111.5	F834 A856 M857 E862 V863	F834-N860 HydrophobicContact CE1-CB 4.38Å; F834-N860 HydrophobicContact CZ-CB 3.94Å; A856-N860 VanDerWaalsContact O-CB 3.3Å; A856-N860 WeakPolarHBondContact O-CB 3.49Å; A856-N860 PolarHBondContact O-N 3.22Å; A856-N860 VanDerWaalsContact O-N 3.17Å; M857-N860 PolarHBondContact O-N 3.06Å; N860-E862 VanDerWaalsContact C-N 3.28Å; N860-E862 PolarHBondContact O-N 3.22Å; N860-E862 WeakPolarHBondContact OD1-CA 3.44Å; N860-E862 WeakPolarHBondContact OD1-CB 3.47Å; N860-E862 PolarHBondContact OD1-N 3.14Å; N860-V863 HydrophobicContact CB-CB 4.36Å; N860-V863 HydrophobicContact CB-CG2 4.41Å; N860-V863 PolarHBondContact O-N 3.11Å; N860-V863 PolarHBondContact OD1-N 3.24Å
861	T	94.9	Very high	97.4	Very high	141 Å²	141	55.9 Å²	55.9	87%	0.865	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.6	-178	53.9	0	0	0	0	114.5
862	E	94.2	Very high	97.4	Very high	129 Å²	129	50.6 Å²	50.6	60%	0.603	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.8	178.5	-57	-176.6	168.5	0	0	112.3	K821 N860	K821-E862 HydrophobicContact CD-CB 4.1Å; K821-E862 VanDerWaalsContact CD-O 3.29Å; K821-E862 WeakPolarHBondContact CD-O 3.29Å; K821-E862 WeakPolarHBondContact CE-O 3.47Å; K821-E862 PolarHBondContact NZ-O 2.84Å; N860-E862 VanDerWaalsContact C-N 3.28Å; N860-E862 PolarHBondContact O-N 3.22Å; N860-E862 WeakPolarHBondContact OD1-CA 3.44Å; N860-E862 WeakPolarHBondContact OD1-CB 3.47Å; N860-E862 PolarHBondContact OD1-N 3.14Å
863	V	96.2	Very high	97.4	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.079	25%	0.247	C	C	.	.	S	Bend	trans	-107.3	127	-177.7	173.6	0	0	0	0	109.7	V764 K821 F834 N860 F865	V764-V863 HydrophobicContact CG2-CB 4.49Å; V764-V863 HydrophobicContact CG2-CG1 3.87Å; V764-V863 HydrophobicContact CG2-CG2 3.91Å; K821-V863 HydrophobicContact CD-CG2 4.39Å; F834-V863 HydrophobicContact CE2-CG2 3.83Å; F834-V863 HydrophobicContact CZ-CG2 3.98Å; N860-V863 HydrophobicContact CB-CB 4.36Å; N860-V863 HydrophobicContact CB-CG2 4.41Å; N860-V863 PolarHBondContact O-N 3.11Å; N860-V863 PolarHBondContact OD1-N 3.24Å; V863-F865 PolarHBondContact O-N 2.68Å
864	N	97.3	Very high	97.4	Very high	80 Å²	80	48.5 Å²	48.5	43%	0.428	25%	0.247	S	C	.	.			trans	-83.4	99.8	166.3	-170.6	-34.9	0	0	0	109.1	E866 S867 D868	N864-E866 PolarHBondContact O-N 3.3Å; N864-E866 VanDerWaalsContact O-N 3.11Å; N864-E866 PolarHBondContact OD1-N 3.45Å; N864-E866 VanDerWaalsContact OD1-N 3.08Å; N864-S867 WeakPolarHBondContact CB-OG 3.47Å; N864-S867 PolarHBondContact ND2-OG 3.1Å; N864-S867 PolarHBondContact O-N 3.06Å; N864-S867 PolarHBondContact OD1-N 3.05Å; N864-S867 VanDerWaalsContact OD1-N 3.1Å; N864-S867 PolarHBondContact OD1-OG 2.92Å; N864-D868 PolarHBondContact N-OD2 3.29Å; N864-D868 WeakPolarHBondContact O-CB 3.28Å; N864-D868 PolarHBondContact O-N 3.27Å
865	F	97.6	Very high	97.4	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.1	-177.4	-172.7	-98.3	0	0	0	113.3	I854 M857 K858 V863 K870 E910 V911 P912	I854-F865 HydrophobicContact CG2-CZ 4.34Å; M857-F865 HydrophobicContact CB-CD2 3.71Å; M857-F865 HydrophobicContact CB-CE2 3.92Å; K858-F865 HydrophobicContact CD-CE1 4.37Å; K858-F865 HydrophobicContact CD-CZ 4.31Å; K858-F865 VanDerWaalsContact CE-CZ 3.43Å; K858-F865 HydrophobicContact CG-CD1 3.94Å; K858-F865 HydrophobicContact CG-CD2 3.68Å; K858-F865 HydrophobicContact CG-CE1 4.01Å; K858-F865 HydrophobicContact CG-CE2 3.75Å; K858-F865 HydrophobicContact CG-CG 3.78Å; K858-F865 HydrophobicContact CG-CZ 3.93Å; V863-F865 PolarHBondContact O-N 2.68Å; F865-K870 WeakPolarHBondContact O-CE 3.46Å; F865-K870 PolarHBondContact O-NZ 3.23Å; F865-E910 WeakPolarHBondContact CE1-O 3.3Å; F865-E910 WeakPolarHBondContact CZ-O 3.39Å; F865-V911 HydrophobicContact CZ-CG2 4.27Å; F865-P912 HydrophobicContact CE1-CG 4.41Å; F865-P912 VanDerWaalsContact O-CG 3.3Å; F865-P912 WeakPolarHBondContact O-CG 3.47Å
866	E	96.9	Very high	97.3	Very high	126 Å²	126	42.7 Å²	42.7	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-42.7	-178.5	-62.9	-61.1	148	0	0	112.6	N864	N864-E866 PolarHBondContact O-N 3.3Å; N864-E866 VanDerWaalsContact O-N 3.11Å; N864-E866 PolarHBondContact OD1-N 3.45Å; N864-E866 VanDerWaalsContact OD1-N 3.08Å
867	S	95.8	Very high	97.2	Very high	33 Å²	33	41.4 Å²	41.4	23%	0.231	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-24.8	-169.9	68.5	0	0	0	0	115.7	Q750 N864 R913	Q750-S867 PolarHBondContact NE2-O 3.46Å; N864-S867 WeakPolarHBondContact CB-OG 3.47Å; N864-S867 PolarHBondContact ND2-OG 3.1Å; N864-S867 PolarHBondContact O-N 3.06Å; N864-S867 PolarHBondContact OD1-N 3.05Å; N864-S867 VanDerWaalsContact OD1-N 3.1Å; N864-S867 PolarHBondContact OD1-OG 2.92Å; S867-R913 VanDerWaalsContact O-CD 3.24Å; S867-R913 WeakPolarHBondContact O-CD 3.49Å; S867-R913 PolarHBondContact O-NH1 2.95Å
868	D	97.9	Very high	96.9	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.102	21%	0.212	C	C	.	.	S	Bend	trans	-73.7	140.8	-176.2	-68.5	-9.8	0	0	0	110.2	Q763 V764 N864 K870	Q763-D868 HydrophobicContact CB-CB 4.13Å; V764-D868 HydrophobicContact CG2-CB 4.13Å; N864-D868 PolarHBondContact N-OD2 3.29Å; N864-D868 WeakPolarHBondContact O-CB 3.28Å; N864-D868 PolarHBondContact O-N 3.27Å; D868-K870 VanDerWaalsContact O-CD 3.3Å; D868-K870 WeakPolarHBondContact O-CD 3.07Å; D868-K870 WeakPolarHBondContact O-CE 3.5Å; D868-K870 PolarHBondContact O-NZ 2.98Å
869	W	98.3	Very high	96.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.195	C	C	.	.			trans	-78	128.1	168	-77.3	104	0	0	0	110.4	P751 V754 L757 D761 Q763 V764 R913 D986	P751-W869 WeakPolarHBondContact O-CZ2 3.29Å; P751-W869 PolarHBondContact O-NE1 3.31Å; V754-W869 HydrophobicContact CB-CH2 3.86Å; V754-W869 HydrophobicContact CB-CZ3 3.78Å; V754-W869 HydrophobicContact CG2-CZ3 3.95Å; V754-W869 VanDerWaalsContact N-CH2 3.31Å; L757-W869 HydrophobicContact CD1-CD2 4.15Å; L757-W869 HydrophobicContact CD1-CE3 3.68Å; L757-W869 HydrophobicContact CD1-CZ3 3.93Å; L757-W869 HydrophobicContact CD2-CB 4.14Å; L757-W869 HydrophobicContact CD2-CD2 3.4Å; L757-W869 VanDerWaalsContact CD2-CD2 3.4Å; L757-W869 HydrophobicContact CD2-CE3 3.85Å; L757-W869 HydrophobicContact CD2-CG 3.51Å; L757-W869 HydrophobicContact CD2-CZ2 4.22Å; L757-W869 HydrophobicContact CD2-CZ3 4.42Å; L757-W869 HydrophobicContact CG-CD2 4.26Å; L757-W869 HydrophobicContact CG-CE3 4.24Å; L757-W869 HydrophobicContact CG-CZ3 4.45Å; D761-W869 WeakPolarHBondContact O-CB 3.08Å; Q763-W869 PolarHBondContact N-O 3.25Å; Q763-W869 VanDerWaalsContact N-O 3.14Å; Q763-W869 PolarHBondContact OE1-O 3.46Å; V764-W869 PolarHBondContact N-O 2.71Å; V764-W869 VanDerWaalsContact N-O 3.13Å; W869-R913 WeakPolarHBondContact CA-O 3.37Å; W869-R913 HydrophobicContact CD2-CB 3.66Å; W869-R913 HydrophobicContact CD2-CG 4.2Å; W869-R913 HydrophobicContact CE3-CB 3.56Å; W869-R913 HydrophobicContact CE3-CG 4.35Å; W869-R913 VanDerWaalsContact CE3-O 3.3Å; W869-R913 HydrophobicContact CG-CB 4.29Å; W869-R913 HydrophobicContact CH2-CB 4.21Å; W869-R913 HydrophobicContact CH2-CG 4.21Å; W869-R913 HydrophobicContact CZ2-CB 4.29Å; W869-R913 HydrophobicContact CZ2-CG 4.04Å; W869-R913 VanDerWaalsContact CZ3-C 3.46Å; W869-R913 VanDerWaalsContact CZ3-CA 3.43Å; W869-R913 HydrophobicContact CZ3-CB 3.84Å; W869-R913 HydrophobicContact CZ3-CG 4.35Å; W869-D986 HydrophobicContact CH2-CB 4.13Å
870	K	98.6	Very high	96.6	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.8	178.4	-52.6	92.2	-176.2	162.5	0	110.2	V764 M857 F865 D868 V911 P912 R913 V914 L915	V764-K870 HydrophobicContact CB-CB 4.42Å; V764-K870 HydrophobicContact CB-CG 4.04Å; V764-K870 HydrophobicContact CG1-CG 4.37Å; V764-K870 CarbonylContact O-C 3.51Å; V764-K870 WeakPolarHBondContact O-CA 3.47Å; M857-K870 HydrophobicContact CE-CB 4.38Å; M857-K870 HydrophobicContact CE-CG 4.11Å; M857-K870 HydrophobicContact SD-CG 4.39Å; F865-K870 WeakPolarHBondContact O-CE 3.46Å; F865-K870 PolarHBondContact O-NZ 3.23Å; D868-K870 VanDerWaalsContact O-CD 3.3Å; D868-K870 WeakPolarHBondContact O-CD 3.07Å; D868-K870 WeakPolarHBondContact O-CE 3.5Å; D868-K870 PolarHBondContact O-NZ 2.98Å; K870-V911 HydrophobicContact CD-CG1 4.01Å; K870-P912 WeakPolarHBondContact CD-O 3.48Å; K870-P912 PolarHBondContact NZ-O 3.04Å; K870-R913 WeakPolarHBondContact CD-O 3.46Å; K870-R913 PolarHBondContact N-O 3.25Å; K870-V914 HydrophobicContact CB-CB 4.42Å; K870-V914 HydrophobicContact CB-CG2 4.14Å; K870-V914 WeakPolarHBondContact O-CA 3.43Å; K870-L915 PolarHBondContact O-N 3.13Å
871	L	98.8	Very high	96.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.1	166.6	-177	66.8	0	0	0	108.9	I762 V764 V765 A766 L809 L813 L915 M1036	I762-L871 HydrophobicContact CD1-CB 4.26Å; I762-L871 HydrophobicContact CD1-CD2 3.98Å; I762-L871 HydrophobicContact CG2-CB 3.88Å; V764-L871 PolarHBondContact O-N 3.46Å; V765-L871 CarbonylContact C-O 3.52Å; V765-L871 WeakPolarHBondContact CA-O 3.24Å; V765-L871 HydrophobicContact CG1-CB 4.33Å; A766-L871 PolarHBondContact N-O 3.47Å; L809-L871 HydrophobicContact CD2-CD2 3.91Å; L813-L871 HydrophobicContact CD1-CD2 3.95Å; L871-L915 WeakPolarHBondContact CA-O 3.21Å; L871-L915 HydrophobicContact CD1-CB 3.94Å; L871-L915 HydrophobicContact CD1-CD2 3.82Å; L871-L915 HydrophobicContact CD1-CG 3.77Å; L871-M1036 HydrophobicContact CD1-CE 4.15Å; L871-M1036 HydrophobicContact CD2-CE 3.67Å; L871-M1036 HydrophobicContact CD2-SD 4.28Å
872	V	98.9	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.5	179.7	-178.1	0	0	0	0	109.2	A766 L768 L853 I874 L907 V914 L915 V916 N917	A766-V872 HydrophobicContact CB-CG2 4.28Å; A766-V872 WeakPolarHBondContact O-CA 3.42Å; L768-V872 HydrophobicContact CD1-CG1 4.36Å; L768-V872 HydrophobicContact CG-CG1 4.3Å; L853-V872 HydrophobicContact CD2-CG1 4.2Å; L853-V872 HydrophobicContact CD2-CG2 4.36Å; V872-I874 HydrophobicContact CG1-CG1 4.17Å; V872-L907 HydrophobicContact CG1-CD1 4.35Å; V872-V914 HydrophobicContact CB-CG2 4.35Å; V872-V914 HydrophobicContact CG2-CG2 3.63Å; V872-L915 PolarHBondContact N-O 2.79Å; V872-V916 HydrophobicContact CB-CG2 4.48Å; V872-V916 CarbonylContact O-C 3.48Å; V872-V916 WeakPolarHBondContact O-CA 3.25Å; V872-N917 PolarHBondContact O-N 3.39Å
873	T	98.8	Very high	96.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.8	174.6	-56.7	0	0	0	0	110.8	A766 A767 L768 W795 N917 V919 L1032	A766-T873 PolarHBondContact O-N 3.35Å; A767-T873 CarbonylContact C-O 3.6Å; A767-T873 WeakPolarHBondContact CA-O 3.23Å; L768-T873 PolarHBondContact N-O 3.35Å; W795-T873 HydrophobicContact CH2-CG2 4.15Å; T873-N917 CarbonylContact C-O 3.6Å; T873-N917 WeakPolarHBondContact CA-O 3.43Å; T873-N917 HydrophobicContact CG2-CB 4.21Å; T873-V919 HydrophobicContact CG2-CG2 3.87Å; T873-L1032 HydrophobicContact CG2-CD2 3.86Å
874	I	98.8	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.1	179.8	-51.8	-177.3	0	0	0	108.6	L768 L846 V872 L900 T903 L904 L907 V916 N917 L918 V919	L768-I874 HydrophobicContact CB-CG1 4.34Å; L768-I874 HydrophobicContact CB-CG2 4.49Å; L768-I874 HydrophobicContact CD1-CD1 4.06Å; L768-I874 HydrophobicContact CD1-CG1 4.06Å; L768-I874 HydrophobicContact CG-CG1 4.42Å; L768-I874 WeakPolarHBondContact O-CA 3.27Å; L846-I874 HydrophobicContact CD1-CG2 4.12Å; L846-I874 HydrophobicContact CD2-CG2 4.31Å; V872-I874 HydrophobicContact CG1-CG1 4.17Å; I874-L900 HydrophobicContact CG2-CD2 4.39Å; I874-T903 HydrophobicContact CD1-CG2 4.15Å; I874-L904 HydrophobicContact CD1-CD2 3.99Å; I874-L907 HydrophobicContact CD1-CD1 4.07Å; I874-V916 HydrophobicContact CD1-CG1 3.69Å; I874-V916 HydrophobicContact CG1-CG1 4.03Å; I874-N917 PolarHBondContact N-O 2.79Å; I874-L918 HydrophobicContact CB-CD1 4Å; I874-L918 HydrophobicContact CG2-CD1 4.04Å; I874-V919 PolarHBondContact O-N 3.29Å
875	F	97.8	Very high	96.2	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	114.5	171.5	176.9	-97.8	0	0	0	109.8	L768 G769 D770 L772 W795 V919 L921 F995	L768-F875 PolarHBondContact O-N 3.48Å; L768-F875 VanDerWaalsContact O-N 3.11Å; G769-F875 WeakPolarHBondContact CA-O 3.13Å; D770-F875 PolarHBondContact N-O 2.92Å; L772-F875 HydrophobicContact CB-CD1 4.12Å; L772-F875 HydrophobicContact CB-CE1 3.9Å; L772-F875 HydrophobicContact CD1-CE1 3.51Å; L772-F875 HydrophobicContact CD1-CZ 4.13Å; L772-F875 HydrophobicContact CG-CE1 4.28Å; W795-F875 HydrophobicContact CH2-CB 4.38Å; W795-F875 HydrophobicContact CZ2-CB 3.88Å; W795-F875 HydrophobicContact CZ2-CD1 4.48Å; W795-F875 HydrophobicContact CZ2-CG 4.08Å; F875-V919 HydrophobicContact CB-CB 4.2Å; F875-V919 HydrophobicContact CD2-CB 3.92Å; F875-V919 HydrophobicContact CD2-CG1 3.72Å; F875-V919 HydrophobicContact CE2-CG1 4.39Å; F875-L921 HydrophobicContact CE2-CD2 4.13Å; F875-L921 HydrophobicContact CZ-CD2 4.26Å; F875-F995 HydrophobicContact CD2-CD1 4.49Å; F875-F995 AromaticContact CE2-CD1 3.59Å; F875-F995 HydrophobicContact CE2-CD1 3.59Å; F875-F995 AromaticContact CE2-CE1 3.9Å; F875-F995 HydrophobicContact CE2-CE1 3.9Å; F875-F995 AromaticContact CZ-CD1 3.87Å; F875-F995 HydrophobicContact CZ-CD1 3.87Å; F875-F995 AromaticContact CZ-CE1 3.66Å; F875-F995 HydrophobicContact CZ-CE1 3.66Å
876	I	97.2	Very high	96	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.115	C	C	.	.			trans	-148.3	154.2	-177.8	-159.2	72.7	0	0	0	109.7	G769 D770 A841 L846 F896 L900 L921	G769-I876 VanDerWaalsContact C-CD1 3.5Å; D770-I876 HydrophobicContact CB-CD1 3.83Å; A841-I876 HydrophobicContact CB-CD1 4.24Å; L846-I876 HydrophobicContact CD1-CB 4.09Å; L846-I876 HydrophobicContact CD1-CG1 4.39Å; L846-I876 HydrophobicContact CD1-CG2 3.49Å; L846-I876 VanDerWaalsContact CD1-CG2 3.49Å; L846-I876 HydrophobicContact CD2-CB 4.31Å; L846-I876 HydrophobicContact CD2-CD1 4.38Å; L846-I876 HydrophobicContact CD2-CG1 4.36Å; L846-I876 HydrophobicContact CG-CB 4.29Å; L846-I876 HydrophobicContact CG-CG1 4.15Å; L846-I876 HydrophobicContact CG-CG2 4.17Å; I876-F896 HydrophobicContact CG2-CE2 3.98Å; I876-F896 HydrophobicContact CG2-CZ 4.32Å; I876-L900 HydrophobicContact CG2-CD2 4.01Å; I876-L921 VanDerWaalsContact O-CD2 3.25Å; I876-L921 WeakPolarHBondContact O-CD2 3.14Å
877	G	94.3	Very high	95.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.			trans	126.3	-12.4	166.4	0	0	0	0	0	114.5	T879 D880 L881	G877-T879 VanDerWaalsContact C-N 3.32Å; G877-T879 PolarHBondContact O-N 3.22Å; G877-D880 WeakPolarHBondContact CA-OD2 3.37Å; G877-D880 WeakPolarHBondContact O-CB 3.46Å; G877-D880 PolarHBondContact O-N 3.14Å; G877-L881 WeakPolarHBondContact O-CG 3.14Å; G877-L881 PolarHBondContact O-N 2.97Å
878	T	91.8	Very high	95.6	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-46.5	173.4	-47.5	0	0	0	0	110.2	L772 D880 L881 C882 M922 F927 F1018	L772-T878 HydrophobicContact CD1-CG2 4.4Å; T878-D880 PolarHBondContact O-N 2.96Å; T878-L881 PolarHBondContact O-N 3.43Å; T878-C882 WeakPolarHBondContact O-CB 3.44Å; T878-C882 PolarHBondContact O-N 3.34Å; T878-C882 PolarHBondContact O-SG 3.26Å; T878-M922 HydrophobicContact CG2-CE 4.37Å; T878-F927 HydrophobicContact CG2-CE2 4.44Å; T878-F1018 HydrophobicContact CG2-CZ 4.12Å
879	T	93.3	Very high	95.3	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-38.8	176.8	-47.5	0	0	0	0	112.4	A841 K842 G877 C882 N883	A841-T879 WeakPolarHBondContact O-CB 3.26Å; A841-T879 PolarHBondContact O-OG1 3.14Å; K842-T879 HydrophobicContact CG-CG2 3.84Å; G877-T879 VanDerWaalsContact C-N 3.32Å; G877-T879 PolarHBondContact O-N 3.22Å; T879-C882 PolarHBondContact O-N 3.07Å; T879-N883 WeakPolarHBondContact O-CB 3.41Å; T879-N883 PolarHBondContact O-N 3.01Å; T879-N883 VanDerWaalsContact O-N 3.12Å; T879-N883 PolarHBondContact O-ND2 3.44Å
880	D	95.9	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-50.3	176.3	-59.7	-123.6	0	0	0	110.1	K842 S843 G877 T878 N883 Y884 L891 Y968	K842-D880 WeakPolarHBondContact CA-OD2 3.16Å; K842-D880 WeakPolarHBondContact CB-OD2 3.29Å; S843-D880 VanDerWaalsContact CB-OD1 3.31Å; S843-D880 WeakPolarHBondContact CB-OD1 3.14Å; S843-D880 PolarHBondContact N-OD1 2.85Å; S843-D880 VanDerWaalsContact N-OD1 3.08Å; S843-D880 PolarHBondContact N-OD2 2.79Å; S843-D880 PolarHBondContact OG-OD1 3.01Å; G877-D880 WeakPolarHBondContact CA-OD2 3.37Å; G877-D880 WeakPolarHBondContact O-CB 3.46Å; G877-D880 PolarHBondContact O-N 3.14Å; T878-D880 PolarHBondContact O-N 2.96Å; D880-N883 CarbonylContact O-C 3.52Å; D880-N883 PolarHBondContact O-N 3.46Å; D880-Y884 WeakPolarHBondContact O-CA 3.4Å; D880-Y884 PolarHBondContact O-N 2.78Å; D880-L891 HydrophobicContact CB-CD2 4.37Å; D880-Y968 HydrophobicContact CB-CE2 3.8Å
881	L	94.8	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-42.9	178.4	-68.8	170.3	0	0	0	112.2	G877 T878 N883 Y884 L921 V924 L961 I964 N965 Y968	G877-L881 WeakPolarHBondContact O-CG 3.14Å; G877-L881 PolarHBondContact O-N 2.97Å; T878-L881 PolarHBondContact O-N 3.43Å; L881-N883 PolarHBondContact O-N 3.18Å; L881-N883 VanDerWaalsContact O-N 3.13Å; L881-Y884 PolarHBondContact O-N 3.01Å; L881-L921 HydrophobicContact CD1-CD1 4.4Å; L881-V924 HydrophobicContact CB-CG1 4.16Å; L881-V924 HydrophobicContact CB-CG2 4.25Å; L881-V924 HydrophobicContact CD1-CG1 3.57Å; L881-V924 HydrophobicContact CD1-CG2 4.21Å; L881-L961 HydrophobicContact CD2-CD1 4.45Å; L881-I964 HydrophobicContact CD2-CG2 4.01Å; L881-N965 HydrophobicContact CD1-CB 4.01Å; L881-N965 VanDerWaalsContact CD1-CG 3.5Å; L881-N965 HydrophobicContact CD2-CB 4.06Å; L881-Y968 HydrophobicContact CD2-CD2 4.21Å; L881-Y968 HydrophobicContact CD2-CE2 4.23Å; L881-Y968 HydrophobicContact CD2-CG 4.45Å; L881-Y968 HydrophobicContact CG-CD2 4.27Å; L881-Y968 HydrophobicContact CG-CE2 4.27Å
882	C	93.4	Very high	94.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-19.8	176.8	-75.8	0	0	0	0	114	T878 T879 C945 C947	T878-C882 WeakPolarHBondContact O-CB 3.44Å; T878-C882 PolarHBondContact O-N 3.34Å; T878-C882 PolarHBondContact O-SG 3.26Å; T879-C882 PolarHBondContact O-N 3.07Å; C882-C945 VanDerWaalsContact CA-SG 3.52Å; C882-C945 HydrophobicContact CB-CB 3.85Å; C882-C945 WeakPolarHBondContact CB-SG 3.41Å; C882-C945 WeakPolarHBondContact SG-CB 3.26Å; C882-C945 CovalentContact SG-SG 2.04Å; C882-C945 PolarHBondContact SG-SG 3.31Å; C882-C947 PolarHBondContact O-N 3.34Å; C882-C947 PolarHBondContact O-SG 3.41Å
883	N	94	Very high	94.6	Very high	41 Å²	41	34.7 Å²	34.7	22%	0.219	18%	0.18	C	C	.	.	H	α-helix	trans	-116	3.2	179.9	-70.6	-86.5	0	0	0	113.8	T879 D880 L881 C885 Y886 L891 C947	T879-N883 WeakPolarHBondContact O-CB 3.41Å; T879-N883 PolarHBondContact O-N 3.01Å; T879-N883 VanDerWaalsContact O-N 3.12Å; T879-N883 PolarHBondContact O-ND2 3.44Å; D880-N883 CarbonylContact O-C 3.52Å; D880-N883 PolarHBondContact O-N 3.46Å; L881-N883 PolarHBondContact O-N 3.18Å; L881-N883 VanDerWaalsContact O-N 3.13Å; N883-C885 VanDerWaalsContact C-N 3.25Å; N883-C885 PolarHBondContact O-N 3.37Å; N883-Y886 HydrophobicContact CB-CD2 4.4Å; N883-Y886 WeakPolarHBondContact O-CB 3.45Å; N883-Y886 PolarHBondContact O-N 3.11Å; N883-L891 HydrophobicContact CB-CD1 4.01Å; N883-C947 VanDerWaalsContact C-SG 3.57Å
884	Y	94.4	Very high	94.4	Very high	20 Å²	20	40 Å²	40	8%	0.078	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-55.2	-40.8	-173	177.8	-103.9	0	0	0	112.6	D880 L881 Y886 D887 Q888 L891 L961 I964	D880-Y884 WeakPolarHBondContact O-CA 3.4Å; D880-Y884 PolarHBondContact O-N 2.78Å; L881-Y884 PolarHBondContact O-N 3.01Å; Y884-Y886 PolarHBondContact O-N 2.79Å; Y884-Y886 VanDerWaalsContact O-N 3.13Å; Y884-D887 CarbonylContact O-C 3.33Å; Y884-D887 PolarHBondContact O-N 3.39Å; Y884-Q888 HydrophobicContact CD1-CG 4.12Å; Y884-Q888 HydrophobicContact CE1-CB 4.27Å; Y884-Q888 HydrophobicContact CE1-CG 3.66Å; Y884-Q888 HydrophobicContact CE2-CB 4Å; Y884-Q888 HydrophobicContact CE2-CG 4.19Å; Y884-Q888 WeakPolarHBondContact O-CG 3.33Å; Y884-Q888 PolarHBondContact O-N 2.85Å; Y884-Q888 VanDerWaalsContact O-N 3.17Å; Y884-L891 HydrophobicContact CD2-CB 4.07Å; Y884-L891 WeakPolarHBondContact CD2-O 3.06Å; Y884-L891 WeakPolarHBondContact CE2-O 3.39Å; Y884-L961 HydrophobicContact CD1-CD1 4.1Å; Y884-L961 HydrophobicContact CG-CD1 4.31Å; Y884-I964 HydrophobicContact CD1-CG1 4.28Å; Y884-I964 HydrophobicContact CD1-CG2 4.36Å; Y884-I964 HydrophobicContact CD2-CG2 3.91Å; Y884-I964 HydrophobicContact CE1-CB 4.39Å; Y884-I964 HydrophobicContact CE1-CD1 4.19Å; Y884-I964 HydrophobicContact CE1-CG1 3.63Å; Y884-I964 HydrophobicContact CE1-CG2 4.31Å; Y884-I964 HydrophobicContact CE2-CD1 4.32Å; Y884-I964 HydrophobicContact CE2-CG1 4.32Å; Y884-I964 HydrophobicContact CE2-CG2 3.86Å; Y884-I964 HydrophobicContact CG-CG2 4.17Å; Y884-I964 WeakPolarHBondContact OH-CD1 3.41Å
885	C	92.2	Very high	94.4	Very high	61 Å²	61	42.9 Å²	42.9	41%	0.412	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.4	-15.1	179.3	68	0	0	0	0	114.7	N883 C947	N883-C885 VanDerWaalsContact C-N 3.25Å; N883-C885 PolarHBondContact O-N 3.37Å; C885-C947 VanDerWaalsContact CA-SG 3.6Å; C885-C947 HydrophobicContact CB-CB 3.79Å; C885-C947 WeakPolarHBondContact CB-SG 3.33Å; C885-C947 PolarHBondContact N-SG 3.14Å; C885-C947 VanDerWaalsContact SG-CA 3.57Å; C885-C947 WeakPolarHBondContact SG-CB 3.26Å; C885-C947 CovalentContact SG-SG 2.03Å; C885-C947 PolarHBondContact SG-SG 3.21Å
886	Y	93.6	Very high	94.4	Very high	143 Å²	143	42.8 Å²	42.8	56%	0.561	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-90.5	-27.7	175.1	-64.1	-51.9	0	0	0	113.6	N883 Y884 H946	N883-Y886 HydrophobicContact CB-CD2 4.4Å; N883-Y886 WeakPolarHBondContact O-CB 3.45Å; N883-Y886 PolarHBondContact O-N 3.11Å; Y884-Y886 PolarHBondContact O-N 2.79Å; Y884-Y886 VanDerWaalsContact O-N 3.13Å; Y886-H946 HydrophobicContact CE2-CB 4.03Å; Y886-H946 AromaticContact CZ-CD2 3.68Å; Y886-H946 AromaticContact CZ-CG 3.76Å; Y886-H946 PolarHBondContact OH-CD2 3.4Å; Y886-H946 PolarHBondContact OH-CE1 3.32Å; Y886-H946 VanDerWaalsContact OH-CE1 3.31Å; Y886-H946 PolarHBondContact OH-ND1 2.73Å; Y886-H946 PolarHBondContact OH-NE2 3.47Å
887	D	92.8	Very high	94.3	Very high	54 Å²	54	42.9 Å²	42.9	29%	0.289	22%	0.218	S	C	.	.			trans	-151.9	67	-174	-167.1	-9.1	0	0	0	111.8	Y884 N889 N890 L891	Y884-D887 CarbonylContact O-C 3.33Å; Y884-D887 PolarHBondContact O-N 3.39Å; D887-N889 PolarHBondContact O-N 2.8Å; D887-N889 VanDerWaalsContact O-N 3.17Å; D887-N890 PolarHBondContact O-N 3.41Å; D887-N890 WeakPolarHBondContact OD1-CB 3.41Å; D887-N890 PolarHBondContact OD1-N 3.39Å; D887-N890 VanDerWaalsContact OD1-N 3.11Å; D887-N890 PolarHBondContact OD1-ND2 3.01Å; D887-N890 WeakPolarHBondContact OD2-CB 3.49Å; D887-N890 PolarHBondContact OD2-ND2 3.47Å; D887-L891 HydrophobicContact CB-CD1 4.35Å; D887-L891 HydrophobicContact CB-CG 4.41Å; D887-L891 VanDerWaalsContact O-CB 3.26Å; D887-L891 WeakPolarHBondContact O-CB 3.15Å; D887-L891 WeakPolarHBondContact O-CG 3.38Å; D887-L891 PolarHBondContact O-N 2.99Å
888	Q	93	Very high	94.5	Very high	101 Å²	101	46 Å²	46	47%	0.472	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.7	-176.8	-62.8	-177.3	-13.2	0	0	113.5	Y884 S892	Y884-Q888 HydrophobicContact CD1-CG 4.12Å; Y884-Q888 HydrophobicContact CE1-CB 4.27Å; Y884-Q888 HydrophobicContact CE1-CG 3.66Å; Y884-Q888 HydrophobicContact CE2-CB 4Å; Y884-Q888 HydrophobicContact CE2-CG 4.19Å; Y884-Q888 WeakPolarHBondContact O-CG 3.33Å; Y884-Q888 PolarHBondContact O-N 2.85Å; Y884-Q888 VanDerWaalsContact O-N 3.17Å; Q888-S892 PolarHBondContact O-N 3.38Å
889	N	90.7	Very high	94.8	Very high	134 Å²	134	47 Å²	47	72%	0.717	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-54.3	-178.7	-70.9	-26.7	0	0	0	110.8	D887 L891 S892 N895	D887-N889 PolarHBondContact O-N 2.8Å; D887-N889 VanDerWaalsContact O-N 3.17Å; N889-L891 VanDerWaalsContact C-N 3.33Å; N889-S892 WeakPolarHBondContact O-CB 3.45Å; N889-S892 PolarHBondContact O-N 2.88Å; N889-S892 PolarHBondContact O-OG 3.31Å; N889-N895 PolarHBondContact O-ND2 2.97Å
890	N	92.4	Very high	95.1	Very high	93 Å²	93	46.1 Å²	46.1	50%	0.497	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.3	-179.3	-66.2	-40.3	0	0	0	111.8	D887 S892 N895	D887-N890 PolarHBondContact O-N 3.41Å; D887-N890 WeakPolarHBondContact OD1-CB 3.41Å; D887-N890 PolarHBondContact OD1-N 3.39Å; D887-N890 VanDerWaalsContact OD1-N 3.11Å; D887-N890 PolarHBondContact OD1-ND2 3.01Å; D887-N890 WeakPolarHBondContact OD2-CB 3.49Å; D887-N890 PolarHBondContact OD2-ND2 3.47Å; N890-S892 VanDerWaalsContact C-N 3.31Å; N890-S892 PolarHBondContact O-N 2.72Å; N890-N895 WeakPolarHBondContact O-CB 3.44Å; N890-N895 PolarHBondContact O-ND2 3.41Å
891	L	95.3	Very high	95.2	Very high	3 Å²	3	48 Å²	48	2%	0.016	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	33.6	176.7	-49.8	177.3	0	0	0	111.6	K842 D880 N883 Y884 D887 N889 Y968	K842-L891 HydrophobicContact CD-CD1 4.5Å; K842-L891 HydrophobicContact CD-CD2 3.85Å; D880-L891 HydrophobicContact CB-CD2 4.37Å; N883-L891 HydrophobicContact CB-CD1 4.01Å; Y884-L891 HydrophobicContact CD2-CB 4.07Å; Y884-L891 WeakPolarHBondContact CD2-O 3.06Å; Y884-L891 WeakPolarHBondContact CE2-O 3.39Å; D887-L891 HydrophobicContact CB-CD1 4.35Å; D887-L891 HydrophobicContact CB-CG 4.41Å; D887-L891 VanDerWaalsContact O-CB 3.26Å; D887-L891 WeakPolarHBondContact O-CB 3.15Å; D887-L891 WeakPolarHBondContact O-CG 3.38Å; D887-L891 PolarHBondContact O-N 2.99Å; N889-L891 VanDerWaalsContact C-N 3.33Å; L891-Y968 VanDerWaalsContact C-OH 3.31Å; L891-Y968 PolarHBondContact O-OH 3.36Å
892	S	96.8	Very high	95.3	Very high	27 Å²	27	51.5 Å²	51.5	19%	0.189	26%	0.263	C	S	.	.	S	Bend	trans	-74.7	153	172.9	63.1	0	0	0	0	110.8	Q888 N889 N890 K894 N895 F896	Q888-S892 PolarHBondContact O-N 3.38Å; N889-S892 WeakPolarHBondContact O-CB 3.45Å; N889-S892 PolarHBondContact O-N 2.88Å; N889-S892 PolarHBondContact O-OG 3.31Å; N890-S892 VanDerWaalsContact C-N 3.31Å; N890-S892 PolarHBondContact O-N 2.72Å; S892-K894 PolarHBondContact O-N 2.91Å; S892-K894 VanDerWaalsContact O-N 3.09Å; S892-N895 PolarHBondContact O-N 3.34Å; S892-N895 PolarHBondContact OG-N 2.74Å; S892-F896 PolarHBondContact O-N 2.78Å
893	P	96.3	Very high	95.6	Very high	20 Å²	20	51.5 Å²	51.5	13%	0.13	26%	0.262	C	S	.	.	H	α-helix	trans	-52.7	-34.7	176.3	-25.8	32.1	0	0	0	113.4	S897 I964 N967 Y968 E971	P893-S897 VanDerWaalsContact O-CB 3.3Å; P893-S897 WeakPolarHBondContact O-CB 3.41Å; P893-S897 PolarHBondContact O-N 2.87Å; P893-I964 HydrophobicContact CG-CD1 4.27Å; P893-I964 HydrophobicContact CG-CG2 4.49Å; P893-N967 HydrophobicContact CB-CB 3.92Å; P893-N967 HydrophobicContact CG-CB 3.59Å; P893-Y968 VanDerWaalsContact CA-CE1 3.5Å; P893-Y968 HydrophobicContact CB-CD1 3.82Å; P893-Y968 HydrophobicContact CB-CE1 4.08Å; P893-Y968 HydrophobicContact CG-CD1 3.81Å; P893-Y968 HydrophobicContact CG-CE1 3.88Å; P893-E971 HydrophobicContact CB-CG 4.05Å
894	K	94.8	Very high	95.8	Very high	114 Å²	114	49.5 Å²	49.5	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-69.8	-41.9	178.5	-153	74.8	-155	155.4	0	113.2	S892 S897 N898 E971	S892-K894 PolarHBondContact O-N 2.91Å; S892-K894 VanDerWaalsContact O-N 3.09Å; K894-S897 WeakPolarHBondContact O-CB 3.33Å; K894-S897 PolarHBondContact O-N 2.88Å; K894-N898 VanDerWaalsContact O-CB 3.31Å; K894-N898 WeakPolarHBondContact O-CB 3.32Å; K894-N898 PolarHBondContact O-N 3.05Å; K894-E971 VanDerWaalsContact NZ-CD 3.32Å; K894-E971 IonicContact NZ-OE1 2.79Å; K894-E971 PolarHBondContact NZ-OE1 3.35Å; K894-E971 IonicContact NZ-OE2 2.78Å; K894-E971 PolarHBondContact NZ-OE2 3.22Å
895	N	97.1	Very high	96	Very high	59 Å²	59	50.6 Å²	50.6	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-68.6	-40.2	176.5	-77.4	-9.6	0	0	0	111.3	N889 N890 S892 N898 N899	N889-N895 PolarHBondContact O-ND2 2.97Å; N890-N895 WeakPolarHBondContact O-CB 3.44Å; N890-N895 PolarHBondContact O-ND2 3.41Å; S892-N895 PolarHBondContact O-N 3.34Å; S892-N895 PolarHBondContact OG-N 2.74Å; N895-N898 PolarHBondContact O-N 3.41Å; N895-N899 PolarHBondContact O-N 3.44Å; N895-N899 PolarHBondContact O-ND2 3.13Å; N895-N899 VanDerWaalsContact O-ND2 3.15Å
896	F	97.6	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-52.6	172.1	175.5	-97.3	0	0	0	111.6	S843 I876 S892 N898 N899 L900 L921 Y968 I972	S843-F896 VanDerWaalsContact CB-CD2 3.45Å; I876-F896 HydrophobicContact CG2-CE2 3.98Å; I876-F896 HydrophobicContact CG2-CZ 4.32Å; S892-F896 PolarHBondContact O-N 2.78Å; F896-N898 PolarHBondContact O-N 3.42Å; F896-N899 PolarHBondContact O-N 3.09Å; F896-L900 HydrophobicContact CD1-CD1 4.13Å; F896-L900 HydrophobicContact CE1-CD1 3.51Å; F896-L900 HydrophobicContact CZ-CD1 3.74Å; F896-L900 PolarHBondContact O-N 3.15Å; F896-L900 VanDerWaalsContact O-N 3.14Å; F896-L921 HydrophobicContact CE1-CD1 4.26Å; F896-L921 HydrophobicContact CE2-CD1 4.33Å; F896-L921 HydrophobicContact CZ-CD1 3.74Å; F896-Y968 HydrophobicContact CB-CD2 4.3Å; F896-Y968 HydrophobicContact CB-CE1 4.1Å; F896-Y968 HydrophobicContact CB-CE2 3.88Å; F896-Y968 HydrophobicContact CD1-CD1 4.44Å; F896-Y968 AromaticContact CD1-CD2 3.67Å; F896-Y968 HydrophobicContact CD1-CD2 3.67Å; F896-Y968 HydrophobicContact CD1-CE2 4.07Å; F896-Y968 AromaticContact CD1-CG 3.85Å; F896-Y968 HydrophobicContact CD1-CG 3.85Å; F896-Y968 AromaticContact CD2-CD2 3.66Å; F896-Y968 HydrophobicContact CD2-CD2 3.66Å; F896-Y968 AromaticContact CD2-CE2 3.36Å; F896-Y968 HydrophobicContact CD2-CE2 3.36Å; F896-Y968 AromaticContact CE1-CD2 3.82Å; F896-Y968 HydrophobicContact CE1-CD2 3.82Å; F896-Y968 HydrophobicContact CE1-CE2 4.49Å; F896-Y968 HydrophobicContact CE1-CG 4.15Å; F896-Y968 AromaticContact CE2-CD2 3.83Å; F896-Y968 HydrophobicContact CE2-CD2 3.83Å; F896-Y968 AromaticContact CE2-CE2 3.87Å; F896-Y968 HydrophobicContact CE2-CE2 3.87Å; F896-Y968 HydrophobicContact CG-CD1 4.48Å; F896-Y968 AromaticContact CG-CD2 3.59Å; F896-Y968 HydrophobicContact CG-CD2 3.59Å; F896-Y968 HydrophobicContact CG-CE1 4.4Å; F896-Y968 AromaticContact CG-CE2 3.49Å; F896-Y968 HydrophobicContact CG-CE2 3.49Å; F896-Y968 VanDerWaalsContact CG-CE2 3.49Å; F896-Y968 HydrophobicContact CG-CG 4.09Å; F896-Y968 AromaticContact CG-CZ 3.9Å; F896-Y968 AromaticContact CZ-CD2 3.91Å; F896-Y968 HydrophobicContact CZ-CD2 3.91Å; F896-Y968 HydrophobicContact CZ-CE2 4.42Å; F896-I972 HydrophobicContact CE1-CD1 3.75Å; F896-I972 HydrophobicContact CE1-CG1 3.68Å; F896-I972 HydrophobicContact CZ-CD1 4.06Å; F896-I972 HydrophobicContact CZ-CG1 4.39Å
897	S	97	Very high	96.5	Very high	7 Å²	7	42.7 Å²	42.7	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-45.5	174.3	-169.5	0	0	0	0	112.6	P893 K894 N899 L900 M901 E971	P893-S897 VanDerWaalsContact O-CB 3.3Å; P893-S897 WeakPolarHBondContact O-CB 3.41Å; P893-S897 PolarHBondContact O-N 2.87Å; K894-S897 WeakPolarHBondContact O-CB 3.33Å; K894-S897 PolarHBondContact O-N 2.88Å; S897-N899 PolarHBondContact O-N 3.32Å; S897-L900 PolarHBondContact O-N 2.92Å; S897-M901 WeakPolarHBondContact O-CB 3.03Å; S897-M901 PolarHBondContact O-N 3.32Å; S897-E971 VanDerWaalsContact CB-OE2 3.26Å; S897-E971 WeakPolarHBondContact CB-OE2 3.16Å; S897-E971 PolarHBondContact OG-OE2 3.25Å
898	N	97.7	Very high	96.8	Very high	65 Å²	65	42.7 Å²	42.7	35%	0.348	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-38.7	179.3	-176.8	66.3	0	0	0	112.5	K894 N895 F896 M901 L902	K894-N898 VanDerWaalsContact O-CB 3.31Å; K894-N898 WeakPolarHBondContact O-CB 3.32Å; K894-N898 PolarHBondContact O-N 3.05Å; N895-N898 PolarHBondContact O-N 3.41Å; F896-N898 PolarHBondContact O-N 3.42Å; N898-M901 WeakPolarHBondContact O-CB 3.44Å; N898-M901 PolarHBondContact O-N 3.09Å; N898-M901 WeakPolarHBondContact OD1-CE 3.2Å; N898-L902 WeakPolarHBondContact O-CG 3.39Å; N898-L902 PolarHBondContact O-N 3.15Å
899	N	98.3	Very high	97	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.134	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-39.5	177.2	-66.3	-28	0	0	0	111.8	S843 L844 N895 F896 S897 T903	S843-N899 WeakPolarHBondContact O-CB 3.48Å; S843-N899 PolarHBondContact OG-ND2 2.79Å; S843-N899 VanDerWaalsContact OG-ND2 3.11Å; L844-N899 WeakPolarHBondContact CA-ND2 3.24Å; L844-N899 PolarHBondContact N-ND2 3.05Å; N895-N899 PolarHBondContact O-N 3.44Å; N895-N899 PolarHBondContact O-ND2 3.13Å; N895-N899 VanDerWaalsContact O-ND2 3.15Å; F896-N899 PolarHBondContact O-N 3.09Å; S897-N899 PolarHBondContact O-N 3.32Å; N899-T903 WeakPolarHBondContact O-CB 3.45Å; N899-T903 PolarHBondContact O-N 2.68Å; N899-T903 VanDerWaalsContact O-N 3.13Å; N899-T903 PolarHBondContact O-OG1 2.91Å
900	L	98.2	Very high	97.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-46	171.6	-75	172.3	0	0	0	111.4	L846 I874 I876 F896 S897 L902 T903 L904 L918 I972 L975	L846-L900 HydrophobicContact CD1-CD2 3.55Å; L846-L900 HydrophobicContact CD1-CG 4.48Å; I874-L900 HydrophobicContact CG2-CD2 4.39Å; I876-L900 HydrophobicContact CG2-CD2 4.01Å; F896-L900 HydrophobicContact CD1-CD1 4.13Å; F896-L900 HydrophobicContact CE1-CD1 3.51Å; F896-L900 HydrophobicContact CZ-CD1 3.74Å; F896-L900 PolarHBondContact O-N 3.15Å; F896-L900 VanDerWaalsContact O-N 3.14Å; S897-L900 PolarHBondContact O-N 2.92Å; L900-L902 PolarHBondContact O-N 2.82Å; L900-T903 WeakPolarHBondContact O-CB 3.07Å; L900-T903 PolarHBondContact O-N 3.42Å; L900-T903 VanDerWaalsContact O-N 3.17Å; L900-L904 WeakPolarHBondContact O-CG 3.41Å; L900-L904 PolarHBondContact O-N 3.27Å; L900-L918 HydrophobicContact CD2-CD1 4.01Å; L900-I972 HydrophobicContact CD1-CG1 3.8Å; L900-L975 HydrophobicContact CB-CD2 3.74Å
901	M	98.2	Very high	97.6	Very high	39 Å²	39	38.8 Å²	38.8	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-48.5	176.5	-177.6	-166.7	72.2	0	0	111.6	S897 N898 T903 L904 D905 L975 R980 Y981	S897-M901 WeakPolarHBondContact O-CB 3.03Å; S897-M901 PolarHBondContact O-N 3.32Å; N898-M901 WeakPolarHBondContact O-CB 3.44Å; N898-M901 PolarHBondContact O-N 3.09Å; N898-M901 WeakPolarHBondContact OD1-CE 3.2Å; M901-T903 VanDerWaalsContact C-N 3.29Å; M901-T903 PolarHBondContact O-N 3.08Å; M901-L904 PolarHBondContact O-N 2.85Å; M901-D905 VanDerWaalsContact O-CB 3.31Å; M901-D905 WeakPolarHBondContact O-CB 3.38Å; M901-D905 PolarHBondContact O-N 3.31Å; M901-L975 HydrophobicContact CB-CD1 3.69Å; M901-L975 HydrophobicContact CB-CD2 4.16Å; M901-L975 HydrophobicContact CG-CD1 3.88Å; M901-R980 VanDerWaalsContact SD-CZ 3.51Å; M901-R980 PolarHBondContact SD-NH1 3.09Å; M901-R980 PolarHBondContact SD-NH2 2.99Å; M901-Y981 PolarHBondContact O-OH 2.91Å
902	L	98.4	Very high	97.8	Very high	74 Å²	74	39.5 Å²	39.5	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-59.6	-41.4	177.7	-71.4	173.1	0	0	0	112	P847 N898 L900 M906	P847-L902 HydrophobicContact CG-CB 4.34Å; N898-L902 WeakPolarHBondContact O-CG 3.39Å; N898-L902 PolarHBondContact O-N 3.15Å; L900-L902 PolarHBondContact O-N 2.82Å; L902-M906 VanDerWaalsContact O-CG 3.29Å; L902-M906 WeakPolarHBondContact O-CG 3.49Å; L902-M906 PolarHBondContact O-N 2.7Å; L902-M906 VanDerWaalsContact O-N 3.13Å
903	T	98.6	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-49.9	177.8	-61.7	0	0	0	0	111.2	L768 L846 V850 I874 N899 L900 M901 M906 L907	L768-T903 HydrophobicContact CD1-CG2 4.19Å; L846-T903 HydrophobicContact CB-CG2 4.09Å; L846-T903 WeakPolarHBondContact CB-OG1 3.27Å; L846-T903 HydrophobicContact CD1-CG2 4.32Å; V850-T903 HydrophobicContact CB-CG2 4.49Å; V850-T903 HydrophobicContact CG2-CG2 3.33Å; I874-T903 HydrophobicContact CD1-CG2 4.15Å; N899-T903 WeakPolarHBondContact O-CB 3.45Å; N899-T903 PolarHBondContact O-N 2.68Å; N899-T903 VanDerWaalsContact O-N 3.13Å; N899-T903 PolarHBondContact O-OG1 2.91Å; L900-T903 WeakPolarHBondContact O-CB 3.07Å; L900-T903 PolarHBondContact O-N 3.42Å; L900-T903 VanDerWaalsContact O-N 3.17Å; M901-T903 VanDerWaalsContact C-N 3.29Å; M901-T903 PolarHBondContact O-N 3.08Å; T903-M906 PolarHBondContact O-N 2.9Å; T903-L907 PolarHBondContact O-N 2.96Å
904	L	98.6	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-38.2	179.2	-67	176.5	0	0	0	112	I874 L900 M901 M906 L907 Y908 V916 L918 L975 I976 Y981 V989	I874-L904 HydrophobicContact CD1-CD2 3.99Å; L900-L904 WeakPolarHBondContact O-CG 3.41Å; L900-L904 PolarHBondContact O-N 3.27Å; M901-L904 PolarHBondContact O-N 2.85Å; L904-M906 VanDerWaalsContact C-N 3.32Å; L904-M906 PolarHBondContact O-N 3.02Å; L904-L907 PolarHBondContact O-N 2.04Å; L904-Y908 VanDerWaalsContact O-CB 3.32Å; L904-Y908 WeakPolarHBondContact O-CB 3.36Å; L904-Y908 PolarHBondContact O-N 3.45Å; L904-V916 HydrophobicContact CD2-CG1 3.93Å; L904-L918 HydrophobicContact CD1-CD2 4.33Å; L904-L975 HydrophobicContact CD1-CD2 4.07Å; L904-I976 HydrophobicContact CD1-CG2 4.27Å; L904-Y981 HydrophobicContact CB-CE1 4.05Å; L904-Y981 HydrophobicContact CB-CE2 4.08Å; L904-Y981 VanDerWaalsContact CB-OH 3.32Å; L904-Y981 WeakPolarHBondContact CB-OH 3.4Å; L904-Y981 HydrophobicContact CD1-CE2 3.89Å; L904-V989 HydrophobicContact CD1-CG1 4.24Å; L904-V989 HydrophobicContact CD1-CG2 4.43Å; L904-V989 HydrophobicContact CD2-CG1 4.02Å; L904-V989 HydrophobicContact CD2-CG2 3.99Å
905	D	98.4	Very high	98.1	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-39.2	176	-74.5	-6.2	0	0	0	112.2	M901 Y908 K909 R980 Y981	M901-D905 VanDerWaalsContact O-CB 3.31Å; M901-D905 WeakPolarHBondContact O-CB 3.38Å; M901-D905 PolarHBondContact O-N 3.31Å; D905-Y908 PolarHBondContact O-N 2.88Å; D905-K909 WeakPolarHBondContact O-CB 3.12Å; D905-K909 PolarHBondContact O-N 2.99Å; D905-R980 VanDerWaalsContact CG-NH2 3.31Å; D905-R980 IonicContact OD1-CZ 2.67Å; D905-R980 IonicContact OD1-NE 3.59Å; D905-R980 PolarHBondContact OD1-NE 3.05Å; D905-R980 IonicContact OD1-NH2 2.76Å; D905-R980 PolarHBondContact OD1-NH2 3.3Å; D905-R980 IonicContact OD2-CZ 3.29Å; D905-R980 IonicContact OD2-NE 3.43Å; D905-R980 IonicContact OD2-NH2 2.78Å; D905-R980 PolarHBondContact OD2-NH2 3.06Å; D905-Y981 WeakPolarHBondContact OD1-CE1 3.43Å; D905-Y981 PolarHBondContact OD1-OH 3.14Å
906	M	98.7	Very high	98.2	Very high	37 Å²	37	31.8 Å²	31.8	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-43.8	176	-73.1	-174.1	70	0	0	111.6	V850 Q851 L902 T903 L904 K909 E910	V850-M906 HydrophobicContact CG1-CB 3.65Å; V850-M906 HydrophobicContact CG1-CE 4.12Å; V850-M906 HydrophobicContact CG1-SD 4.25Å; Q851-M906 HydrophobicContact CB-CE 4.49Å; Q851-M906 HydrophobicContact CG-CE 3.24Å; Q851-M906 HydrophobicContact CG-SD 4.23Å; L902-M906 VanDerWaalsContact O-CG 3.29Å; L902-M906 WeakPolarHBondContact O-CG 3.49Å; L902-M906 PolarHBondContact O-N 2.7Å; L902-M906 VanDerWaalsContact O-N 3.13Å; T903-M906 PolarHBondContact O-N 2.9Å; L904-M906 VanDerWaalsContact C-N 3.32Å; L904-M906 PolarHBondContact O-N 3.02Å; M906-K909 PolarHBondContact O-N 3.5Å; M906-E910 WeakPolarHBondContact O-CB 3.48Å; M906-E910 PolarHBondContact O-N 3.06Å
907	L	98.5	Very high	98.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-48.5	174	-68.1	173.2	0	0	0	110.9	V850 V872 I874 T903 L904 K909 E910 V911 V916 F987	V850-L907 HydrophobicContact CG1-CD2 4.25Å; V850-L907 HydrophobicContact CG1-CG 4.35Å; V850-L907 HydrophobicContact CG2-CD1 4.36Å; V850-L907 HydrophobicContact CG2-CD2 4.31Å; V850-L907 HydrophobicContact CG2-CG 4.13Å; V872-L907 HydrophobicContact CG1-CD1 4.35Å; I874-L907 HydrophobicContact CD1-CD1 4.07Å; T903-L907 PolarHBondContact O-N 2.96Å; L904-L907 PolarHBondContact O-N 2.04Å; L907-K909 VanDerWaalsContact C-N 3.26Å; L907-K909 PolarHBondContact O-N 3.08Å; L907-E910 PolarHBondContact O-N 3.38Å; L907-V911 HydrophobicContact CD2-CG2 3.85Å; L907-V911 WeakPolarHBondContact O-CB 3.36Å; L907-V911 PolarHBondContact O-N 2.87Å; L907-V916 HydrophobicContact CD1-CG2 4.07Å; L907-F987 HydrophobicContact CB-CE2 3.92Å; L907-F987 HydrophobicContact CB-CZ 4.27Å
908	Y	98.3	Very high	98.3	Very high	53 Å²	53	31.6 Å²	31.6	21%	0.208	15%	0.15	C	C	.	.	H	α-helix	trans	-57.5	-39.1	178.5	-178.5	-112.3	0	0	0	112.2	L904 D905 Y981 G983 K984 F987	L904-Y908 VanDerWaalsContact O-CB 3.32Å; L904-Y908 WeakPolarHBondContact O-CB 3.36Å; L904-Y908 PolarHBondContact O-N 3.45Å; D905-Y908 PolarHBondContact O-N 2.88Å; Y908-Y981 HydrophobicContact CD1-CD1 4.44Å; Y908-Y981 AromaticContact CD2-CD1 4Å; Y908-Y981 HydrophobicContact CD2-CD1 4Å; Y908-Y981 AromaticContact CG-CD1 3.89Å; Y908-Y981 HydrophobicContact CG-CD1 3.89Å; Y908-Y981 HydrophobicContact CG-CE1 4.39Å; Y908-G983 WeakPolarHBondContact OH-CA 3.49Å; Y908-K984 HydrophobicContact CD2-CD 4.12Å; Y908-K984 HydrophobicContact CE2-CB 4.07Å; Y908-K984 HydrophobicContact CE2-CD 3.65Å; Y908-K984 HydrophobicContact CE2-CG 3.75Å; Y908-K984 PolarHBondContact O-NZ 3.26Å; Y908-F987 HydrophobicContact CD2-CB 4.09Å; Y908-F987 AromaticContact CD2-CD1 3.43Å; Y908-F987 HydrophobicContact CD2-CD1 3.43Å; Y908-F987 VanDerWaalsContact CD2-CD1 3.43Å; Y908-F987 HydrophobicContact CD2-CD2 4.08Å; Y908-F987 AromaticContact CD2-CE1 3.73Å; Y908-F987 HydrophobicContact CD2-CE1 3.73Å; Y908-F987 HydrophobicContact CD2-CE2 4.43Å; Y908-F987 AromaticContact CD2-CG 3.61Å; Y908-F987 HydrophobicContact CD2-CG 3.61Å; Y908-F987 HydrophobicContact CD2-CZ 4.25Å; Y908-F987 HydrophobicContact CE2-CB 4.35Å; Y908-F987 HydrophobicContact CE2-CD1 4.1Å; Y908-F987 HydrophobicContact CE2-CG 4.3Å; Y908-F987 HydrophobicContact CG-CD1 4.43Å; Y908-F987 HydrophobicContact CG-CE1 4.34Å; Y908-F987 VanDerWaalsContact N-CE2 3.31Å
909	K	97.7	Very high	98.3	Very high	167 Å²	167	28.7 Å²	28.7	73%	0.726	13%	0.134	S	C	*	.	H	α-helix	trans	-77.7	-41.9	-178	-173.8	178.9	179	-175.6	0	113.1	D905 M906 L907	D905-K909 WeakPolarHBondContact O-CB 3.12Å; D905-K909 PolarHBondContact O-N 2.99Å; M906-K909 PolarHBondContact O-N 3.5Å; L907-K909 VanDerWaalsContact C-N 3.26Å; L907-K909 PolarHBondContact O-N 3.08Å
910	E	98.1	Very high	98	Very high	76 Å²	76	27.5 Å²	27.5	36%	0.355	13%	0.128	S	C	.	.	H	α-helix	trans	-109.7	-19.8	-164	-66.5	-165.2	-137.9	0	0	115.7	I854 K858 F865 M906 L907	I854-E910 HydrophobicContact CD1-CB 4.02Å; K858-E910 IonicContact NZ-OE2 2.79Å; K858-E910 PolarHBondContact NZ-OE2 3.32Å; F865-E910 WeakPolarHBondContact CE1-O 3.3Å; F865-E910 WeakPolarHBondContact CZ-O 3.39Å; M906-E910 WeakPolarHBondContact O-CB 3.48Å; M906-E910 PolarHBondContact O-N 3.06Å; L907-E910 PolarHBondContact O-N 3.38Å
911	V	98.2	Very high	97.7	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	13%	0.128	C	C	.	.			trans	-109.8	109.6	-173.3	-172.3	0	0	0	0	109.6	I854 F865 K870 L907 V914	I854-V911 HydrophobicContact CD1-CG2 4.16Å; I854-V911 HydrophobicContact CG1-CG2 3.73Å; F865-V911 HydrophobicContact CZ-CG2 4.27Å; K870-V911 HydrophobicContact CD-CG1 4.01Å; L907-V911 HydrophobicContact CD2-CG2 3.85Å; L907-V911 WeakPolarHBondContact O-CB 3.36Å; L907-V911 PolarHBondContact O-N 2.87Å; V911-V914 HydrophobicContact CB-CG1 4.24Å; V911-V914 HydrophobicContact CG1-CB 4.02Å; V911-V914 HydrophobicContact CG1-CG1 4.16Å; V911-V914 HydrophobicContact CG1-CG2 4.44Å
912	P	97.8	Very high	97.2	Very high	19 Å²	19	25.9 Å²	25.9	12%	0.123	12%	0.12	C	C	.	.	S	Bend	trans	-75.7	154.6	174.1	31.4	-33.1	0	0	0	110.5	F865 K870 D986	F865-P912 HydrophobicContact CE1-CG 4.41Å; F865-P912 VanDerWaalsContact O-CG 3.3Å; F865-P912 WeakPolarHBondContact O-CG 3.47Å; K870-P912 WeakPolarHBondContact CD-O 3.48Å; K870-P912 PolarHBondContact NZ-O 3.04Å; P912-D986 WeakPolarHBondContact CA-OD2 3.03Å
913	R	98.1	Very high	96.5	Very high	56 Å²	56	24.7 Å²	24.7	21%	0.211	11%	0.112	C	C	.	.	S	Bend	trans	52.3	64.5	174.4	-65	-179.6	-178.8	-161.5	-4.3	113.6	S867 W869 K870 D986	S867-R913 VanDerWaalsContact O-CD 3.24Å; S867-R913 WeakPolarHBondContact O-CD 3.49Å; S867-R913 PolarHBondContact O-NH1 2.95Å; W869-R913 WeakPolarHBondContact CA-O 3.37Å; W869-R913 HydrophobicContact CD2-CB 3.66Å; W869-R913 HydrophobicContact CD2-CG 4.2Å; W869-R913 HydrophobicContact CE3-CB 3.56Å; W869-R913 HydrophobicContact CE3-CG 4.35Å; W869-R913 VanDerWaalsContact CE3-O 3.3Å; W869-R913 HydrophobicContact CG-CB 4.29Å; W869-R913 HydrophobicContact CH2-CB 4.21Å; W869-R913 HydrophobicContact CH2-CG 4.21Å; W869-R913 HydrophobicContact CZ2-CB 4.29Å; W869-R913 HydrophobicContact CZ2-CG 4.04Å; W869-R913 VanDerWaalsContact CZ3-C 3.46Å; W869-R913 VanDerWaalsContact CZ3-CA 3.43Å; W869-R913 HydrophobicContact CZ3-CB 3.84Å; W869-R913 HydrophobicContact CZ3-CG 4.35Å; K870-R913 WeakPolarHBondContact CD-O 3.46Å; K870-R913 PolarHBondContact N-O 3.25Å; R913-D986 CarbonylContact C-O 3.53Å; R913-D986 WeakPolarHBondContact CA-O 3.49Å; R913-D986 HydrophobicContact CG-CB 4.06Å; R913-D986 PolarHBondContact N-O 2.94Å; R913-D986 PolarHBondContact N-OD2 3.25Å
914	V	98.3	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132	-177.5	64.6	0	0	0	0	112.9	K870 V872 V911 V916 D986 F987 A988	K870-V914 HydrophobicContact CB-CB 4.42Å; K870-V914 HydrophobicContact CB-CG2 4.14Å; K870-V914 WeakPolarHBondContact O-CA 3.43Å; V872-V914 HydrophobicContact CB-CG2 4.35Å; V872-V914 HydrophobicContact CG2-CG2 3.63Å; V911-V914 HydrophobicContact CB-CG1 4.24Å; V911-V914 HydrophobicContact CG1-CB 4.02Å; V911-V914 HydrophobicContact CG1-CG1 4.16Å; V911-V914 HydrophobicContact CG1-CG2 4.44Å; V914-V916 HydrophobicContact CG2-CG2 4.09Å; V914-D986 PolarHBondContact N-O 3.36Å; V914-F987 HydrophobicContact CG1-CD2 3.14Å; V914-F987 HydrophobicContact CG1-CE2 3.38Å; V914-F987 HydrophobicContact CG1-CG 4.2Å; V914-F987 WeakPolarHBondContact O-CA 3.22Å; V914-A988 PolarHBondContact O-N 3.06Å
915	L	98.6	Very high	95	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.8	164.6	178	60.2	0	0	0	108.2	V754 L757 K870 L871 V872 A988 V990 I1066 T1068	V754-L915 HydrophobicContact CG2-CB 3.92Å; V754-L915 HydrophobicContact CG2-CD1 4.02Å; V754-L915 HydrophobicContact CG2-CG 4.49Å; L757-L915 HydrophobicContact CD1-CB 4.15Å; L757-L915 HydrophobicContact CD1-CD2 4.43Å; K870-L915 PolarHBondContact O-N 3.13Å; L871-L915 WeakPolarHBondContact CA-O 3.21Å; L871-L915 HydrophobicContact CD1-CB 3.94Å; L871-L915 HydrophobicContact CD1-CD2 3.82Å; L871-L915 HydrophobicContact CD1-CG 3.77Å; V872-L915 PolarHBondContact N-O 2.79Å; L915-A988 HydrophobicContact CD1-CB 3.97Å; L915-V990 HydrophobicContact CD1-CG2 3.78Å; L915-I1066 HydrophobicContact CD2-CB 4.25Å; L915-I1066 HydrophobicContact CD2-CD1 4.34Å; L915-I1066 HydrophobicContact CD2-CG2 3.58Å; L915-T1068 HydrophobicContact CD1-CG2 4.08Å
916	V	98.8	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	178.3	-175.2	0	0	0	0	109.6	V872 I874 L904 L907 V914 F987 A988 V989 V990	V872-V916 HydrophobicContact CB-CG2 4.48Å; V872-V916 CarbonylContact O-C 3.48Å; V872-V916 WeakPolarHBondContact O-CA 3.25Å; I874-V916 HydrophobicContact CD1-CG1 3.69Å; I874-V916 HydrophobicContact CG1-CG1 4.03Å; L904-V916 HydrophobicContact CD2-CG1 3.93Å; L907-V916 HydrophobicContact CD1-CG2 4.07Å; V914-V916 HydrophobicContact CG2-CG2 4.09Å; V916-F987 HydrophobicContact CG2-CE2 4.24Å; V916-F987 HydrophobicContact CG2-CZ 4.1Å; V916-A988 PolarHBondContact N-O 3.27Å; V916-V989 HydrophobicContact CB-CB 4.45Å; V916-V989 HydrophobicContact CB-CG1 4.22Å; V916-V989 HydrophobicContact CB-CG2 4.29Å; V916-V989 HydrophobicContact CG1-CG1 4.24Å; V916-V990 PolarHBondContact O-N 3.49Å
917	N	98.6	Very high	93.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.4	164.6	-76.5	-28.4	0	0	0	108.5	V872 T873 I874 Q992 L1032 M1036	V872-N917 PolarHBondContact O-N 3.39Å; T873-N917 CarbonylContact C-O 3.6Å; T873-N917 WeakPolarHBondContact CA-O 3.43Å; T873-N917 HydrophobicContact CG2-CB 4.21Å; I874-N917 PolarHBondContact N-O 2.79Å; N917-Q992 HydrophobicContact CB-CG 4.06Å; N917-Q992 PolarHBondContact OD1-NE2 2.88Å; N917-L1032 HydrophobicContact CB-CD1 4.28Å; N917-M1036 PolarHBondContact ND2-SD 3.31Å
918	L	98.3	Very high	92.4	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.6	170.4	-177.7	58.5	0	0	0	108.3	I874 L900 L904 I972 I976 V989 V990 L991 Q992	I874-L918 HydrophobicContact CB-CD1 4Å; I874-L918 HydrophobicContact CG2-CD1 4.04Å; L900-L918 HydrophobicContact CD2-CD1 4.01Å; L904-L918 HydrophobicContact CD1-CD2 4.33Å; L918-I972 HydrophobicContact CD2-CG2 3.82Å; L918-I972 HydrophobicContact CG-CG2 4.22Å; L918-I976 HydrophobicContact CD2-CD1 4.4Å; L918-I976 HydrophobicContact CD2-CG2 4.03Å; L918-V989 HydrophobicContact CB-CG1 3.95Å; L918-V989 HydrophobicContact CD2-CG1 4.38Å; L918-V990 PolarHBondContact N-O 3.25Å; L918-L991 CarbonylContact O-C 3.54Å; L918-L991 WeakPolarHBondContact O-CA 3.46Å; L918-L991 WeakPolarHBondContact O-CD1 3.35Å; L918-Q992 PolarHBondContact O-N 2.95Å
919	V	97.4	Very high	91.4	Very high	3 Å²	3	27 Å²	27	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131	-173.6	179.7	0	0	0	0	109.3	W795 T873 I874 F875 Q992 F994 F995 L1032	W795-V919 HydrophobicContact CH2-CB 4.24Å; W795-V919 HydrophobicContact CH2-CG1 4.03Å; W795-V919 HydrophobicContact CH2-CG2 3.67Å; W795-V919 HydrophobicContact CZ3-CG2 4.34Å; T873-V919 HydrophobicContact CG2-CG2 3.87Å; I874-V919 PolarHBondContact O-N 3.29Å; F875-V919 HydrophobicContact CB-CB 4.2Å; F875-V919 HydrophobicContact CD2-CB 3.92Å; F875-V919 HydrophobicContact CD2-CG1 3.72Å; F875-V919 HydrophobicContact CE2-CG1 4.39Å; V919-Q992 HydrophobicContact CG2-CB 4.26Å; V919-F994 HydrophobicContact CG1-CD1 4.46Å; V919-F994 HydrophobicContact CG1-CE1 3.64Å; V919-F994 HydrophobicContact CG1-CZ 4.07Å; V919-F994 HydrophobicContact CG2-CE1 4.28Å; V919-F995 HydrophobicContact CG1-CB 4.25Å; V919-L1032 HydrophobicContact CG2-CD1 4.2Å
920	D	93.2	Very high	90.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-73.1	159.8	-178.5	-159.2	6.9	0	0	0	112.2	L991 Q992 P993 H996	D920-L991 HydrophobicContact CB-CD1 4.12Å; D920-Q992 PolarHBondContact N-O 3.45Å; D920-P993 HydrophobicContact CB-CB 4.5Å; D920-H996 IonicContact OD2-CE1 3.55Å; D920-H996 IonicContact OD2-CG 2.86Å; D920-H996 IonicContact OD2-ND1 3.72Å; D920-H996 PolarHBondContact OD2-ND1 3.27Å
921	L	91.6	Very high	89.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-82.8	137.4	-177.6	-78.3	171.9	0	0	0	112	F875 I876 L881 F896 Y968 Q969 I972 H996	F875-L921 HydrophobicContact CE2-CD2 4.13Å; F875-L921 HydrophobicContact CZ-CD2 4.26Å; I876-L921 VanDerWaalsContact O-CD2 3.25Å; I876-L921 WeakPolarHBondContact O-CD2 3.14Å; L881-L921 HydrophobicContact CD1-CD1 4.4Å; F896-L921 HydrophobicContact CE1-CD1 4.26Å; F896-L921 HydrophobicContact CE2-CD1 4.33Å; F896-L921 HydrophobicContact CZ-CD1 3.74Å; L921-Y968 HydrophobicContact CD1-CD2 3.68Å; L921-Y968 HydrophobicContact CD1-CG 4.33Å; L921-Q969 HydrophobicContact CB-CG 4.31Å; L921-Q969 PolarHBondContact O-NE2 3.35Å; L921-I972 HydrophobicContact CD1-CD1 4.33Å; L921-I972 HydrophobicContact CG-CD1 4.36Å; L921-H996 WeakPolarHBondContact O-CA 3.36Å
922	M	87.1	Confident	88.2	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.03	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-70.6	156.7	168.5	68	-179	136	0	0	112.4	L772 T878 V924 F927 N965 F995	L772-M922 HydrophobicContact CD1-CE 4.03Å; T878-M922 HydrophobicContact CG2-CE 4.37Å; M922-V924 PolarHBondContact O-N 3.26Å; M922-F927 HydrophobicContact CE-CE2 3.85Å; M922-F927 HydrophobicContact CE-CZ 3.55Å; M922-F927 HydrophobicContact SD-CE2 3.95Å; M922-F927 HydrophobicContact SD-CZ 3.8Å; M922-N965 PolarHBondContact O-ND2 3.17Å; M922-N965 PolarHBondContact O-OD1 2.88Å; M922-N965 VanDerWaalsContact O-OD1 3.07Å; M922-F995 WeakPolarHBondContact CA-O 3.38Å; M922-F995 HydrophobicContact CB-CD1 3.98Å; M922-F995 HydrophobicContact CB-CE1 3.95Å; M922-F995 HydrophobicContact CB-CE2 4.44Å; M922-F995 HydrophobicContact CB-CG 4.28Å; M922-F995 HydrophobicContact CB-CZ 4.17Å; M922-F995 WeakPolarHBondContact CB-O 3.31Å; M922-F995 HydrophobicContact CE-CE1 3.4Å; M922-F995 HydrophobicContact CE-CZ 3.44Å; M922-F995 VanDerWaalsContact CE-CZ 3.44Å; M922-F995 HydrophobicContact CG-CD1 4.35Å; M922-F995 HydrophobicContact CG-CE1 3.89Å; M922-F995 HydrophobicContact CG-CZ 4.12Å; M922-F995 HydrophobicContact SD-CE1 3.63Å; M922-F995 HydrophobicContact SD-CE2 4.11Å; M922-F995 HydrophobicContact SD-CZ 3.32Å; M922-F995 WeakPolarHBondContact SD-CZ 3.23Å
923	Q	84.1	Confident	87.2	Confident	49 Å²	49	34 Å²	34	23%	0.229	17%	0.167	C	C	.	.			trans	-65.5	112.5	165.6	-68.5	-178.4	-7.1	0	0	110.3	D925 V926 N965 H996	Q923-D925 VanDerWaalsContact C-N 3.35Å; Q923-D925 PolarHBondContact O-N 3.27Å; Q923-V926 HydrophobicContact CB-CG1 4.38Å; Q923-V926 WeakPolarHBondContact O-CG1 3.24Å; Q923-V926 WeakPolarHBondContact O-CG2 3.47Å; Q923-N965 WeakPolarHBondContact CA-OD1 3.35Å; Q923-H996 PolarHBondContact N-O 2.98Å
924	V	84.9	Confident	86.2	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-77.1	-17.1	-172.9	-63.4	0	0	0	0	114.1	L881 M922 V926 F927 V948 L961 N965	L881-V924 HydrophobicContact CB-CG1 4.16Å; L881-V924 HydrophobicContact CB-CG2 4.25Å; L881-V924 HydrophobicContact CD1-CG1 3.57Å; L881-V924 HydrophobicContact CD1-CG2 4.21Å; M922-V924 PolarHBondContact O-N 3.26Å; V924-V926 PolarHBondContact O-N 2.76Å; V924-F927 HydrophobicContact CB-CD2 4.33Å; V924-F927 VanDerWaalsContact O-CD2 3.27Å; V924-F927 WeakPolarHBondContact O-CD2 3.25Å; V924-F927 PolarHBondContact O-N 3.12Å; V924-V948 HydrophobicContact CB-CG2 4.02Å; V924-V948 HydrophobicContact CG2-CG2 3.66Å; V924-V948 VanDerWaalsContact O-CG1 3.3Å; V924-V948 WeakPolarHBondContact O-CG1 3.49Å; V924-L961 HydrophobicContact CG2-CD2 4.41Å; V924-L961 HydrophobicContact CG2-CG 4.49Å; V924-N965 WeakPolarHBondContact CG2-OD1 3.4Å; V924-N965 PolarHBondContact N-OD1 2.98Å
925	D	80.5	Confident	85.1	Confident	44 Å²	44	39.3 Å²	39.3	24%	0.235	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.7	-19.9	-179.4	65.8	-59	0	0	0	113	Q923 F927 K928 K962	Q923-D925 VanDerWaalsContact C-N 3.35Å; Q923-D925 PolarHBondContact O-N 3.27Å; D925-F927 PolarHBondContact O-N 3.37Å; D925-K928 WeakPolarHBondContact O-CB 3.33Å; D925-K928 PolarHBondContact O-N 3.3Å; D925-K962 HydrophobicContact CB-CG 4.11Å; D925-K962 WeakPolarHBondContact OD2-CE 3.2Å
926	V	77.5	Confident	84.1	Confident	26 Å²	26	39.4 Å²	39.4	16%	0.158	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56	-33	173.5	-56.1	0	0	0	0	112.1	Q923 V924 K928 T929 I1000	Q923-V926 HydrophobicContact CB-CG1 4.38Å; Q923-V926 WeakPolarHBondContact O-CG1 3.24Å; Q923-V926 WeakPolarHBondContact O-CG2 3.47Å; V924-V926 PolarHBondContact O-N 2.76Å; V926-K928 PolarHBondContact O-N 2.87Å; V926-K928 VanDerWaalsContact O-N 3.13Å; V926-T929 WeakPolarHBondContact O-CB 3.36Å; V926-T929 PolarHBondContact O-N 3.21Å; V926-T929 PolarHBondContact O-OG1 3.36Å; V926-I1000 HydrophobicContact CB-CD1 3.84Å; V926-I1000 HydrophobicContact CB-CG1 4.09Å; V926-I1000 HydrophobicContact CG2-CD1 3.95Å; V926-I1000 HydrophobicContact CG2-CG1 4.21Å; V926-I1000 WeakPolarHBondContact O-CD1 3.25Å
927	F	81.7	Confident	83.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.018	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.9	178.4	-70	-65.4	0	0	0	113.1	T878 M922 V924 D925 T929 V930 Q941 V948 I949 F1013 F1018	T878-F927 HydrophobicContact CG2-CE2 4.44Å; M922-F927 HydrophobicContact CE-CE2 3.85Å; M922-F927 HydrophobicContact CE-CZ 3.55Å; M922-F927 HydrophobicContact SD-CE2 3.95Å; M922-F927 HydrophobicContact SD-CZ 3.8Å; V924-F927 HydrophobicContact CB-CD2 4.33Å; V924-F927 VanDerWaalsContact O-CD2 3.27Å; V924-F927 WeakPolarHBondContact O-CD2 3.25Å; V924-F927 PolarHBondContact O-N 3.12Å; D925-F927 PolarHBondContact O-N 3.37Å; F927-T929 PolarHBondContact O-N 2.93Å; F927-V930 PolarHBondContact O-N 3.49Å; F927-Q941 PolarHBondContact O-NE2 3.15Å; F927-V948 HydrophobicContact CB-CG1 4.43Å; F927-I949 HydrophobicContact CB-CD1 3.91Å; F927-F1013 HydrophobicContact CD1-CE1 4.15Å; F927-F1013 AromaticContact CE1-CE1 3.93Å; F927-F1013 HydrophobicContact CE1-CE1 3.93Å; F927-F1018 HydrophobicContact CD1-CD2 4.14Å; F927-F1018 HydrophobicContact CD2-CD2 4.49Å; F927-F1018 HydrophobicContact CD2-CE2 4.26Å; F927-F1018 HydrophobicContact CE1-CD2 4.17Å; F927-F1018 HydrophobicContact CE1-CE2 4.49Å; F927-F1018 WeakPolarHBondContact CE1-O 3.38Å; F927-F1018 HydrophobicContact CE2-CE2 4.13Å; F927-F1018 HydrophobicContact CG-CD2 4.3Å; F927-F1018 HydrophobicContact CZ-CD2 4.39Å; F927-F1018 HydrophobicContact CZ-CE2 4.25Å
928	K	81.3	Confident	82.1	Confident	25 Å²	25	42.2 Å²	42.2	11%	0.109	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-65.8	-20.7	175.3	-61.8	-171.2	80.6	109.2	0	113.1	D925 V926 K931 V948 I949 P951 I958	D925-K928 WeakPolarHBondContact O-CB 3.33Å; D925-K928 PolarHBondContact O-N 3.3Å; V926-K928 PolarHBondContact O-N 2.87Å; V926-K928 VanDerWaalsContact O-N 3.13Å; K928-K931 VanDerWaalsContact O-CE 3.25Å; K928-K931 WeakPolarHBondContact O-CE 3.28Å; K928-V948 HydrophobicContact CD-CG1 4.48Å; K928-V948 VanDerWaalsContact CD-O 3.24Å; K928-V948 WeakPolarHBondContact CD-O 3.35Å; K928-V948 WeakPolarHBondContact CE-O 3.43Å; K928-V948 HydrophobicContact CG-CG1 3.78Å; K928-V948 WeakPolarHBondContact CG-O 3.37Å; K928-V948 PolarHBondContact NZ-O 3.09Å; K928-I949 HydrophobicContact CG-CD1 4.47Å; K928-P951 PolarHBondContact NZ-O 3.03Å; K928-I958 HydrophobicContact CD-CD1 4.02Å; K928-I958 HydrophobicContact CD-CG1 4.34Å; K928-I958 HydrophobicContact CD-CG2 4.49Å; K928-I958 VanDerWaalsContact NZ-CD1 3.3Å
929	T	76.8	Confident	81.1	Confident	81 Å²	81	47 Å²	47	50%	0.497	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-83.2	-20.4	179.2	72.7	0	0	0	0	112.3	V926 F927 K931 V1008	V926-T929 WeakPolarHBondContact O-CB 3.36Å; V926-T929 PolarHBondContact O-N 3.21Å; V926-T929 PolarHBondContact O-OG1 3.36Å; F927-T929 PolarHBondContact O-N 2.93Å; T929-K931 PolarHBondContact O-N 3.15Å; T929-V1008 WeakPolarHBondContact O-CG2 3.41Å
930	V	78.3	Confident	80.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.			trans	-78.4	104.4	178.5	-166.7	0	0	0	0	109.5	F927 Q941 I1000 V1008 F1013 C1017	F927-V930 PolarHBondContact O-N 3.49Å; V930-Q941 PolarHBondContact O-NE2 3.01Å; V930-Q941 VanDerWaalsContact O-NE2 3.16Å; V930-I1000 HydrophobicContact CG2-CD1 3.21Å; V930-I1000 HydrophobicContact CG2-CG2 4.33Å; V930-V1008 HydrophobicContact CB-CG1 4.37Å; V930-V1008 HydrophobicContact CG1-CG1 3.98Å; V930-V1008 HydrophobicContact CG2-CG1 4.22Å; V930-F1013 HydrophobicContact CG1-CD2 3.77Å; V930-F1013 HydrophobicContact CG1-CE2 3.93Å; V930-F1013 HydrophobicContact CG1-CG 4.1Å; V930-F1013 HydrophobicContact CG1-CZ 4.38Å; V930-F1013 HydrophobicContact CG2-CD2 4.41Å; V930-F1013 HydrophobicContact CG2-CE1 3.96Å; V930-F1013 HydrophobicContact CG2-CE2 3.78Å; V930-F1013 HydrophobicContact CG2-CZ 3.55Å; V930-C1017 HydrophobicContact CB-CB 4.46Å; V930-C1017 HydrophobicContact CG1-CB 3.61Å
931	K	74.3	Confident	79.6	Confident	144 Å²	144	50.1 Å²	50.1	63%	0.626	26%	0.261	S	S	*	.			trans	-130.3	138.8	179.4	-64.3	-179.2	-177.2	176.2	0	110.2	K928 T929	K928-K931 VanDerWaalsContact O-CE 3.25Å; K928-K931 WeakPolarHBondContact O-CE 3.28Å; T929-K931 PolarHBondContact O-N 3.15Å
932	K	76.1	Confident	79.2	Confident	99 Å²	99	56.2 Å²	56.2	43%	0.43	28%	0.284	S	S	.	.			trans	-151.8	141.5	173.3	-159	-179.3	-175.6	156.4	0	108.8	T934 C937 T1010	K932-T934 HydrophobicContact CD-CG2 3.78Å; K932-T934 HydrophobicContact CG-CG2 3.94Å; K932-T934 PolarHBondContact O-N 2.83Å; K932-C937 HydrophobicContact CB-CB 3.9Å; K932-C937 WeakPolarHBondContact O-CB 3.21Å; K932-T1010 HydrophobicContact CB-CG2 4.24Å; K932-T1010 HydrophobicContact CD-CG2 4.14Å; K932-T1010 HydrophobicContact CG-CG2 4.39Å; K932-T1010 PolarHBondContact NZ-OG1 3.39Å; K932-T1010 VanDerWaalsContact NZ-OG1 3.15Å
933	D	74.8	Confident	79	Confident	169 Å²	169	61.1 Å²	61.1	90%	0.904	31%	0.314	S	S	*	.	S	Bend	trans	-76.9	59.3	177.5	-67.2	-23.5	0	0	0	111.4
934	T	77.8	Confident	79	Confident	52 Å²	52	60.4 Å²	60.4	32%	0.319	32%	0.315	S	S	.	.	S	Bend	trans	-124.6	155.9	173.2	67.9	0	0	0	0	110.3	K932 G936 C937 S938	K932-T934 HydrophobicContact CD-CG2 3.78Å; K932-T934 HydrophobicContact CG-CG2 3.94Å; K932-T934 PolarHBondContact O-N 2.83Å; T934-G936 PolarHBondContact O-N 3.26Å; T934-C937 PolarHBondContact O-N 3.11Å; T934-C937 WeakPolarHBondContact OG1-CB 3.32Å; T934-C937 PolarHBondContact OG1-N 3.4Å; T934-C937 PolarHBondContact OG1-SG 2.9Å; T934-S938 VanDerWaalsContact O-CB 3.27Å; T934-S938 WeakPolarHBondContact O-CB 3.29Å; T934-S938 PolarHBondContact O-N 2.61Å; T934-S938 PolarHBondContact O-OG 3.09Å; T934-S938 VanDerWaalsContact O-OG 3.08Å
935	L	75.6	Confident	79.1	Confident	117 Å²	117	60.3 Å²	60.3	61%	0.613	31%	0.314	S	S	*	.	H	α-helix	trans	-55.7	-40.5	177.2	-169.7	81.1	0	0	0	111.6	I783 L939	I783-L935 HydrophobicContact CD1-CB 3.72Å; I783-L935 HydrophobicContact CD1-CD2 3.74Å; I783-L935 HydrophobicContact CD1-CG 4.01Å; L935-L939 HydrophobicContact CD1-CD1 3.55Å; L935-L939 HydrophobicContact CG-CD1 4.17Å; L935-L939 WeakPolarHBondContact O-CB 3.42Å; L935-L939 PolarHBondContact O-N 2.87Å
936	G	76.9	Confident	79.5	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.021	32%	0.318	C	S	.	.	I	π-helix	trans	-67.3	-49.5	-178.1	0	0	0	0	0	111.8	I783 T934 S938 Q940 Q941 A1015	I783-G936 VanDerWaalsContact CD1-N 3.28Å; T934-G936 PolarHBondContact O-N 3.26Å; G936-S938 VanDerWaalsContact C-N 3.35Å; G936-S938 PolarHBondContact O-N 3.27Å; G936-Q940 WeakPolarHBondContact O-CA 3.22Å; G936-Q940 VanDerWaalsContact O-CB 3.22Å; G936-Q940 WeakPolarHBondContact O-CB 3.26Å; G936-Q940 PolarHBondContact O-N 2.79Å; G936-Q941 PolarHBondContact O-N 3.2Å; G936-A1015 WeakPolarHBondContact CA-O 3.21Å
937	C	78.7	Confident	80.1	Confident	7 Å²	7	60.5 Å²	60.5	5%	0.047	31%	0.312	C	S	.	.	I	π-helix	trans	-71.2	-30.9	-179.5	-56.3	0	0	0	0	112.5	K932 T934 Q941 C1017	K932-C937 HydrophobicContact CB-CB 3.9Å; K932-C937 WeakPolarHBondContact O-CB 3.21Å; T934-C937 PolarHBondContact O-N 3.11Å; T934-C937 WeakPolarHBondContact OG1-CB 3.32Å; T934-C937 PolarHBondContact OG1-N 3.4Å; T934-C937 PolarHBondContact OG1-SG 2.9Å; C937-Q941 WeakPolarHBondContact O-CB 3.38Å; C937-Q941 PolarHBondContact O-OE1 3.24Å; C937-C1017 HydrophobicContact CB-CB 3.56Å; C937-C1017 WeakPolarHBondContact CB-SG 3.35Å; C937-C1017 WeakPolarHBondContact SG-CB 3.42Å; C937-C1017 CovalentContact SG-SG 2.01Å; C937-C1017 PolarHBondContact SG-SG 3.3Å
938	S	76.5	Confident	80.5	Confident	53 Å²	53	60.4 Å²	60.4	37%	0.371	31%	0.312	S	S	.	.	I	π-helix	trans	-81.6	-33.3	-179.5	-63.8	0	0	0	0	114.1	T934 G936 R942	T934-S938 VanDerWaalsContact O-CB 3.27Å; T934-S938 WeakPolarHBondContact O-CB 3.29Å; T934-S938 PolarHBondContact O-N 2.61Å; T934-S938 PolarHBondContact O-OG 3.09Å; T934-S938 VanDerWaalsContact O-OG 3.08Å; G936-S938 VanDerWaalsContact C-N 3.35Å; G936-S938 PolarHBondContact O-N 3.27Å; S938-R942 WeakPolarHBondContact O-CD 3.48Å; S938-R942 PolarHBondContact O-NE 2.77Å; S938-R942 VanDerWaalsContact O-NE 3.11Å
939	L	77.8	Confident	80.8	Confident	103 Å²	103	60.2 Å²	60.2	54%	0.539	31%	0.312	S	S	.	.	I	π-helix	trans	-116.5	-50.6	-174.6	-66.8	171.7	0	0	0	113.2	L935 Q941 R942 V943	L935-L939 HydrophobicContact CD1-CD1 3.55Å; L935-L939 HydrophobicContact CG-CD1 4.17Å; L935-L939 WeakPolarHBondContact O-CB 3.42Å; L935-L939 PolarHBondContact O-N 2.87Å; L939-Q941 PolarHBondContact O-N 3.38Å; L939-R942 WeakPolarHBondContact O-CB 3.48Å; L939-R942 PolarHBondContact O-N 3.43Å; L939-V943 PolarHBondContact O-N 3.49Å
940	Q	79.3	Confident	81.3	Confident	59 Å²	59	58.9 Å²	58.9	28%	0.276	30%	0.302	S	S	.	.	I	π-helix	trans	-68.1	-39.8	-173.5	-169.3	64.3	15.8	0	0	111.7	L786 G936 R942 V943 S944 D1016	L786-Q940 HydrophobicContact CD2-CG 3.56Å; G936-Q940 WeakPolarHBondContact O-CA 3.22Å; G936-Q940 VanDerWaalsContact O-CB 3.22Å; G936-Q940 WeakPolarHBondContact O-CB 3.26Å; G936-Q940 PolarHBondContact O-N 2.79Å; Q940-R942 VanDerWaalsContact C-N 3.26Å; Q940-R942 PolarHBondContact O-N 2.88Å; Q940-V943 PolarHBondContact O-N 2.88Å; Q940-V943 VanDerWaalsContact O-N 3.08Å; Q940-S944 PolarHBondContact O-N 3.3Å; Q940-S944 PolarHBondContact O-OG 2.9Å; Q940-D1016 HydrophobicContact CB-CB 3.95Å; Q940-D1016 HydrophobicContact CG-CB 3.78Å
941	Q	80.2	Confident	81.7	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-53.3	-43.1	173.6	-155.7	-166.8	28.5	0	0	112.5	F927 V930 G936 C937 L939 V943 S944 C945 I949 D1016 C1017 F1018	F927-Q941 PolarHBondContact O-NE2 3.15Å; V930-Q941 PolarHBondContact O-NE2 3.01Å; V930-Q941 VanDerWaalsContact O-NE2 3.16Å; G936-Q941 PolarHBondContact O-N 3.2Å; C937-Q941 WeakPolarHBondContact O-CB 3.38Å; C937-Q941 PolarHBondContact O-OE1 3.24Å; L939-Q941 PolarHBondContact O-N 3.38Å; Q941-V943 VanDerWaalsContact C-N 3.3Å; Q941-V943 PolarHBondContact O-N 3.01Å; Q941-S944 PolarHBondContact O-N 3.22Å; Q941-C945 PolarHBondContact O-N 2.87Å; Q941-C945 VanDerWaalsContact O-N 3.08Å; Q941-I949 HydrophobicContact CG-CD1 4.21Å; Q941-I949 HydrophobicContact CG-CG1 4.2Å; Q941-D1016 VanDerWaalsContact CB-O 3.28Å; Q941-D1016 WeakPolarHBondContact CB-O 3.25Å; Q941-C1017 HydrophobicContact CG-CB 4.49Å; Q941-C1017 PolarHBondContact NE2-O 3.03Å; Q941-F1018 HydrophobicContact CG-CB 4.07Å
942	R	82.4	Confident	82	Confident	129 Å²	129	56.9 Å²	56.9	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-28.3	-179.6	-67.1	-177.1	-178.4	-123.8	2.3	113.3	S938 L939 Q940 H946 I949 N950	S938-R942 WeakPolarHBondContact O-CD 3.48Å; S938-R942 PolarHBondContact O-NE 2.77Å; S938-R942 VanDerWaalsContact O-NE 3.11Å; L939-R942 WeakPolarHBondContact O-CB 3.48Å; L939-R942 PolarHBondContact O-N 3.43Å; Q940-R942 VanDerWaalsContact C-N 3.26Å; Q940-R942 PolarHBondContact O-N 2.88Å; R942-H946 WeakPolarHBondContact O-CA 3.47Å; R942-I949 HydrophobicContact CG-CG2 3.71Å; R942-N950 WeakPolarHBondContact CB-OD1 3.5Å; R942-N950 WeakPolarHBondContact CD-OD1 3.43Å; R942-N950 VanDerWaalsContact CG-OD1 3.32Å; R942-N950 WeakPolarHBondContact CG-OD1 3.47Å; R942-N950 PolarHBondContact O-ND2 3.08Å
943	V	83.5	Confident	81.7	Confident	109 Å²	109	57.4 Å²	57.4	66%	0.661	32%	0.317	S	S	*	.	H	α-helix	trans	-80.4	-44.8	177.1	176	0	0	0	0	109.9	L939 Q940 Q941 C945	L939-V943 PolarHBondContact O-N 3.49Å; Q940-V943 PolarHBondContact O-N 2.88Å; Q940-V943 VanDerWaalsContact O-N 3.08Å; Q941-V943 VanDerWaalsContact C-N 3.3Å; Q941-V943 PolarHBondContact O-N 3.01Å; V943-C945 PolarHBondContact O-N 3.39Å
944	S	83.4	Confident	81.4	Confident	34 Å²	34	56.1 Å²	56.1	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-34.9	-178.4	-60.8	0	0	0	0	113.2	Q940 Q941	Q940-S944 PolarHBondContact O-N 3.3Å; Q940-S944 PolarHBondContact O-OG 2.9Å; Q941-S944 PolarHBondContact O-N 3.22Å
945	C	88.8	Confident	81.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	65.3	-178.6	-159	0	0	0	0	113.4	C882 Q941 V943 C947 V948 I949 F1018	C882-C945 VanDerWaalsContact CA-SG 3.52Å; C882-C945 HydrophobicContact CB-CB 3.85Å; C882-C945 WeakPolarHBondContact CB-SG 3.41Å; C882-C945 WeakPolarHBondContact SG-CB 3.26Å; C882-C945 CovalentContact SG-SG 2.04Å; C882-C945 PolarHBondContact SG-SG 3.31Å; Q941-C945 PolarHBondContact O-N 2.87Å; Q941-C945 VanDerWaalsContact O-N 3.08Å; V943-C945 PolarHBondContact O-N 3.39Å; C945-C947 PolarHBondContact O-N 2.93Å; C945-V948 PolarHBondContact O-N 3.46Å; C945-V948 VanDerWaalsContact SG-CB 3.57Å; C945-V948 WeakPolarHBondContact SG-CG2 3.34Å; C945-I949 HydrophobicContact CB-CG1 4.22Å; C945-I949 WeakPolarHBondContact O-CG1 3.09Å; C945-I949 PolarHBondContact O-N 3.45Å; C945-F1018 HydrophobicContact CB-CD2 3.95Å; C945-F1018 HydrophobicContact CB-CE2 3.51Å; C945-F1018 HydrophobicContact CB-CZ 4.03Å
946	H	88.4	Confident	81.7	Confident	68 Å²	68	53.7 Å²	53.7	32%	0.315	30%	0.303	S	S	.	.	H	α-helix	trans	-55.1	-49	-172.8	-174.8	99.4	0	0	0	113.8	Y886 R942 V948 N950	Y886-H946 HydrophobicContact CE2-CB 4.03Å; Y886-H946 AromaticContact CZ-CD2 3.68Å; Y886-H946 AromaticContact CZ-CG 3.76Å; Y886-H946 PolarHBondContact OH-CD2 3.4Å; Y886-H946 PolarHBondContact OH-CE1 3.32Å; Y886-H946 VanDerWaalsContact OH-CE1 3.31Å; Y886-H946 PolarHBondContact OH-ND1 2.73Å; Y886-H946 PolarHBondContact OH-NE2 3.47Å; R942-H946 WeakPolarHBondContact O-CA 3.47Å; H946-V948 VanDerWaalsContact C-N 3.26Å; H946-V948 PolarHBondContact O-N 3.07Å; H946-N950 PolarHBondContact CE1-ND2 3.28Å; H946-N950 PolarHBondContact ND1-ND2 2.89Å; H946-N950 WeakPolarHBondContact O-CB 3.21Å; H946-N950 PolarHBondContact O-N 3.49Å
947	C	90.4	Very high	82.1	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-25.5	-172.8	-54.5	0	0	0	0	113.1	C882 N883 C885 C945 P951 L961	C882-C947 PolarHBondContact O-N 3.34Å; C882-C947 PolarHBondContact O-SG 3.41Å; N883-C947 VanDerWaalsContact C-SG 3.57Å; C885-C947 VanDerWaalsContact CA-SG 3.6Å; C885-C947 HydrophobicContact CB-CB 3.79Å; C885-C947 WeakPolarHBondContact CB-SG 3.33Å; C885-C947 PolarHBondContact N-SG 3.14Å; C885-C947 VanDerWaalsContact SG-CA 3.57Å; C885-C947 WeakPolarHBondContact SG-CB 3.26Å; C885-C947 CovalentContact SG-SG 2.03Å; C885-C947 PolarHBondContact SG-SG 3.21Å; C945-C947 PolarHBondContact O-N 2.93Å; C947-P951 WeakPolarHBondContact O-CD 3.42Å; C947-P951 WeakPolarHBondContact O-CG 3.17Å; C947-L961 HydrophobicContact CB-CD2 4.26Å
948	V	88.9	Confident	82.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-87.5	-48.9	177.4	177.5	0	0	0	0	110.9	V924 F927 K928 C945 H946 I958 L961	V924-V948 HydrophobicContact CB-CG2 4.02Å; V924-V948 HydrophobicContact CG2-CG2 3.66Å; V924-V948 VanDerWaalsContact O-CG1 3.3Å; V924-V948 WeakPolarHBondContact O-CG1 3.49Å; F927-V948 HydrophobicContact CB-CG1 4.43Å; K928-V948 HydrophobicContact CD-CG1 4.48Å; K928-V948 VanDerWaalsContact CD-O 3.24Å; K928-V948 WeakPolarHBondContact CD-O 3.35Å; K928-V948 WeakPolarHBondContact CE-O 3.43Å; K928-V948 HydrophobicContact CG-CG1 3.78Å; K928-V948 WeakPolarHBondContact CG-O 3.37Å; K928-V948 PolarHBondContact NZ-O 3.09Å; C945-V948 PolarHBondContact O-N 3.46Å; C945-V948 VanDerWaalsContact SG-CB 3.57Å; C945-V948 WeakPolarHBondContact SG-CG2 3.34Å; H946-V948 VanDerWaalsContact C-N 3.26Å; H946-V948 PolarHBondContact O-N 3.07Å; V948-I958 WeakPolarHBondContact O-CD1 3.35Å; V948-L961 HydrophobicContact CB-CD2 4.2Å; V948-L961 HydrophobicContact CG2-CD2 3.39Å
949	I	88.1	Confident	82.6	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-82.7	-39	-165	-56.5	-62.4	0	0	0	112.6	F927 K928 Q941 R942 C945	F927-I949 HydrophobicContact CB-CD1 3.91Å; K928-I949 HydrophobicContact CG-CD1 4.47Å; Q941-I949 HydrophobicContact CG-CD1 4.21Å; Q941-I949 HydrophobicContact CG-CG1 4.2Å; R942-I949 HydrophobicContact CG-CG2 3.71Å; C945-I949 HydrophobicContact CB-CG1 4.22Å; C945-I949 WeakPolarHBondContact O-CG1 3.09Å; C945-I949 PolarHBondContact O-N 3.45Å
950	N	86.8	Confident	83	Confident	54 Å²	54	59.1 Å²	59.1	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-76.8	-34.8	-168.6	-70.3	-29.2	0	0	0	116.5	R942 H946	R942-N950 WeakPolarHBondContact CB-OD1 3.5Å; R942-N950 WeakPolarHBondContact CD-OD1 3.43Å; R942-N950 VanDerWaalsContact CG-OD1 3.32Å; R942-N950 WeakPolarHBondContact CG-OD1 3.47Å; R942-N950 PolarHBondContact O-ND2 3.08Å; H946-N950 PolarHBondContact CE1-ND2 3.28Å; H946-N950 PolarHBondContact ND1-ND2 2.89Å; H946-N950 WeakPolarHBondContact O-CB 3.21Å; H946-N950 PolarHBondContact O-N 3.49Å
951	P	86.8	Confident	83.5	Confident	31 Å²	31	56.7 Å²	56.7	20%	0.201	31%	0.308	C	S	.	.	S	Bend	trans	-59.9	154.4	176.6	-25.4	35	0	0	0	112.2	K928 C947 A955 E957 I958	K928-P951 PolarHBondContact NZ-O 3.03Å; C947-P951 WeakPolarHBondContact O-CD 3.42Å; C947-P951 WeakPolarHBondContact O-CG 3.17Å; P951-A955 HydrophobicContact CB-CB 4.17Å; P951-E957 HydrophobicContact CB-CB 4.42Å; P951-E957 HydrophobicContact CG-CB 4.33Å; P951-I958 HydrophobicContact CB-CD1 3.88Å; P951-I958 HydrophobicContact CB-CG1 3.78Å; P951-I958 HydrophobicContact CG-CD1 3.88Å; P951-I958 HydrophobicContact CG-CG1 4.32Å
952	A	80.4	Confident	83.8	Confident	70 Å²	70	58.8 Å²	58.8	58%	0.579	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-64.4	160.8	175	0	0	0	0	0	111.8	N954 A955	A952-N954 PolarHBondContact O-N 3.29Å; A952-A955 HydrophobicContact CB-CB 4.37Å; A952-A955 WeakPolarHBondContact O-CB 3.31Å; A952-A955 PolarHBondContact O-N 3.45Å
953	N	69.8	Low	84.1	Confident	111 Å²	111	59 Å²	59	59%	0.594	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	134.2	170.2	-69.6	-12.3	0	0	0	109.2	A955	N953-A955 PolarHBondContact O-N 2.85Å
954	N	69.8	Low	84.6	Confident	142 Å²	142	54 Å²	54	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	17.6	-176.9	-48.7	-29.4	0	0	0	115.6	A952	A952-N954 PolarHBondContact O-N 3.29Å
955	A	79.2	Confident	85.1	Confident	14 Å²	14	52.5 Å²	52.5	12%	0.116	28%	0.276	C	S	.	.			trans	-67.2	143.3	172.1	0	0	0	0	0	110.4	P951 A952 N953 E957 I958 E959	P951-A955 HydrophobicContact CB-CB 4.17Å; A952-A955 HydrophobicContact CB-CB 4.37Å; A952-A955 WeakPolarHBondContact O-CB 3.31Å; A952-A955 PolarHBondContact O-N 3.45Å; N953-A955 PolarHBondContact O-N 2.85Å; A955-E957 VanDerWaalsContact CB-OE2 3.24Å; A955-E957 WeakPolarHBondContact CB-OE2 3.37Å; A955-E957 PolarHBondContact O-N 3.46Å; A955-E957 VanDerWaalsContact O-N 3.07Å; A955-I958 PolarHBondContact O-N 3.14Å; A955-E959 PolarHBondContact O-N 3.16Å
956	P	79.9	Confident	85.2	Confident	104 Å²	104	59.7 Å²	59.7	68%	0.675	30%	0.303	S	S	*	.	H	α-helix	trans	-52.5	-31.7	178.9	-27	34.7	0	0	0	113.8	I958 E959 E960	P956-I958 VanDerWaalsContact C-N 3.28Å; P956-I958 PolarHBondContact O-N 3.3Å; P956-E959 PolarHBondContact O-N 3.2Å; P956-E960 WeakPolarHBondContact O-CB 3.19Å; P956-E960 PolarHBondContact O-N 2.96Å
957	E	85.1	Confident	85.4	Confident	117 Å²	117	59 Å²	59	55%	0.547	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-33.7	177.4	-60.5	87.5	162.4	0	0	112.6	P951 A955 L961	P951-E957 HydrophobicContact CB-CB 4.42Å; P951-E957 HydrophobicContact CG-CB 4.33Å; A955-E957 VanDerWaalsContact CB-OE2 3.24Å; A955-E957 WeakPolarHBondContact CB-OE2 3.37Å; A955-E957 PolarHBondContact O-N 3.46Å; A955-E957 VanDerWaalsContact O-N 3.07Å; E957-L961 WeakPolarHBondContact O-CB 3.17Å; E957-L961 PolarHBondContact O-N 3.15Å
958	I	82.1	Confident	85.7	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-77	-39.5	177.6	-65.2	-58.2	0	0	0	111.5	K928 V948 P951 A955 P956 E960 L961 K962	K928-I958 HydrophobicContact CD-CD1 4.02Å; K928-I958 HydrophobicContact CD-CG1 4.34Å; K928-I958 HydrophobicContact CD-CG2 4.49Å; K928-I958 VanDerWaalsContact NZ-CD1 3.3Å; V948-I958 WeakPolarHBondContact O-CD1 3.35Å; P951-I958 HydrophobicContact CB-CD1 3.88Å; P951-I958 HydrophobicContact CB-CG1 3.78Å; P951-I958 HydrophobicContact CG-CD1 3.88Å; P951-I958 HydrophobicContact CG-CG1 4.32Å; A955-I958 PolarHBondContact O-N 3.14Å; P956-I958 VanDerWaalsContact C-N 3.28Å; P956-I958 PolarHBondContact O-N 3.3Å; I958-E960 VanDerWaalsContact C-N 3.29Å; I958-E960 PolarHBondContact O-N 3.5Å; I958-L961 PolarHBondContact O-N 2.83Å; I958-K962 HydrophobicContact CG2-CD 4.45Å; I958-K962 WeakPolarHBondContact O-CG 3.46Å; I958-K962 PolarHBondContact O-N 3.31Å
959	E	83	Confident	85.8	Confident	95 Å²	95	59 Å²	59	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-38.6	175	-67.6	-54.6	130.2	0	0	111.2	A955 P956 K962 R963	A955-E959 PolarHBondContact O-N 3.16Å; P956-E959 PolarHBondContact O-N 3.2Å; E959-K962 PolarHBondContact O-N 3.43Å; E959-K962 IonicContact OE1-NZ 3.15Å; E959-K962 PolarHBondContact OE1-NZ 3.11Å; E959-R963 PolarHBondContact O-N 3.17Å
960	E	87.9	Confident	85.9	Confident	58 Å²	58	61.9 Å²	61.9	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-44.5	171.4	178.1	59.6	-175.7	0	0	111.8	P956 I958 K962 R963 I964	P956-E960 WeakPolarHBondContact O-CB 3.19Å; P956-E960 PolarHBondContact O-N 2.96Å; I958-E960 VanDerWaalsContact C-N 3.29Å; I958-E960 PolarHBondContact O-N 3.5Å; E960-K962 PolarHBondContact O-N 2.73Å; E960-R963 VanDerWaalsContact CD-NH2 3.27Å; E960-R963 VanDerWaalsContact O-CB 3.32Å; E960-R963 WeakPolarHBondContact O-CB 3.42Å; E960-R963 PolarHBondContact O-N 2.68Å; E960-R963 VanDerWaalsContact O-N 3.12Å; E960-R963 IonicContact OE1-CZ 3.91Å; E960-R963 IonicContact OE1-NE 2.66Å; E960-R963 IonicContact OE1-NH2 3.55Å; E960-R963 PolarHBondContact OE1-NH2 3.35Å; E960-R963 IonicContact OE2-CZ 3.21Å; E960-R963 VanDerWaalsContact OE2-CZ 3.28Å; E960-R963 IonicContact OE2-NE 2.74Å; E960-R963 PolarHBondContact OE2-NE 3.06Å; E960-R963 IonicContact OE2-NH2 3.98Å; E960-R963 PolarHBondContact OE2-NH2 3.26Å; E960-I964 HydrophobicContact CG-CG1 4.45Å; E960-I964 WeakPolarHBondContact O-CG1 3.26Å; E960-I964 PolarHBondContact O-N 3Å
961	L	88.4	Confident	86.3	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-38.7	179.8	-167.5	63.8	0	0	0	112.6	L881 Y884 V924 C947 V948 E957 I958 R963 I964 N965	L881-L961 HydrophobicContact CD2-CD1 4.45Å; Y884-L961 HydrophobicContact CD1-CD1 4.1Å; Y884-L961 HydrophobicContact CG-CD1 4.31Å; V924-L961 HydrophobicContact CG2-CD2 4.41Å; V924-L961 HydrophobicContact CG2-CG 4.49Å; C947-L961 HydrophobicContact CB-CD2 4.26Å; V948-L961 HydrophobicContact CB-CD2 4.2Å; V948-L961 HydrophobicContact CG2-CD2 3.39Å; E957-L961 WeakPolarHBondContact O-CB 3.17Å; E957-L961 PolarHBondContact O-N 3.15Å; I958-L961 PolarHBondContact O-N 2.83Å; L961-R963 VanDerWaalsContact C-N 3.31Å; L961-R963 PolarHBondContact O-N 3.46Å; L961-I964 PolarHBondContact O-N 2.67Å; L961-N965 WeakPolarHBondContact O-CB 3.14Å; L961-N965 PolarHBondContact O-N 3.33Å
962	K	86.1	Confident	86.7	Confident	53 Å²	53	59.8 Å²	59.8	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-43.1	171.3	-73.1	171.6	179.6	173.4	0	111.3	D925 I958 E959 E960 N965 R966	D925-K962 HydrophobicContact CB-CG 4.11Å; D925-K962 WeakPolarHBondContact OD2-CE 3.2Å; I958-K962 HydrophobicContact CG2-CD 4.45Å; I958-K962 WeakPolarHBondContact O-CG 3.46Å; I958-K962 PolarHBondContact O-N 3.31Å; E959-K962 PolarHBondContact O-N 3.43Å; E959-K962 IonicContact OE1-NZ 3.15Å; E959-K962 PolarHBondContact OE1-NZ 3.11Å; E960-K962 PolarHBondContact O-N 2.73Å; K962-N965 PolarHBondContact O-N 3.36Å; K962-R966 WeakPolarHBondContact O-CG 3.46Å; K962-R966 PolarHBondContact O-N 2.85Å
963	R	89.1	Confident	87.2	Confident	133 Å²	133	60.6 Å²	60.6	50%	0.502	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.7	-171.4	-178.5	74.4	107.9	0.8	111.4	E959 E960 L961 R966 N967	E959-R963 PolarHBondContact O-N 3.17Å; E960-R963 VanDerWaalsContact CD-NH2 3.27Å; E960-R963 VanDerWaalsContact O-CB 3.32Å; E960-R963 WeakPolarHBondContact O-CB 3.42Å; E960-R963 PolarHBondContact O-N 2.68Å; E960-R963 VanDerWaalsContact O-N 3.12Å; E960-R963 IonicContact OE1-CZ 3.91Å; E960-R963 IonicContact OE1-NE 2.66Å; E960-R963 IonicContact OE1-NH2 3.55Å; E960-R963 PolarHBondContact OE1-NH2 3.35Å; E960-R963 IonicContact OE2-CZ 3.21Å; E960-R963 VanDerWaalsContact OE2-CZ 3.28Å; E960-R963 IonicContact OE2-NE 2.74Å; E960-R963 PolarHBondContact OE2-NE 3.06Å; E960-R963 IonicContact OE2-NH2 3.98Å; E960-R963 PolarHBondContact OE2-NH2 3.26Å; L961-R963 VanDerWaalsContact C-N 3.31Å; L961-R963 PolarHBondContact O-N 3.46Å; R963-R966 PolarHBondContact O-N 2.97Å; R963-N967 PolarHBondContact O-N 2.81Å; R963-N967 PolarHBondContact O-ND2 3Å; R963-N967 PolarHBondContact O-OD1 2.97Å
964	I	94.1	Very high	88.2	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-40.9	178.7	-65.3	-64.5	0	0	0	111.9	L881 Y884 P893 E960 L961 R966 N967 Y968	L881-I964 HydrophobicContact CD2-CG2 4.01Å; Y884-I964 HydrophobicContact CD1-CG1 4.28Å; Y884-I964 HydrophobicContact CD1-CG2 4.36Å; Y884-I964 HydrophobicContact CD2-CG2 3.91Å; Y884-I964 HydrophobicContact CE1-CB 4.39Å; Y884-I964 HydrophobicContact CE1-CD1 4.19Å; Y884-I964 HydrophobicContact CE1-CG1 3.63Å; Y884-I964 HydrophobicContact CE1-CG2 4.31Å; Y884-I964 HydrophobicContact CE2-CD1 4.32Å; Y884-I964 HydrophobicContact CE2-CG1 4.32Å; Y884-I964 HydrophobicContact CE2-CG2 3.86Å; Y884-I964 HydrophobicContact CG-CG2 4.17Å; Y884-I964 WeakPolarHBondContact OH-CD1 3.41Å; P893-I964 HydrophobicContact CG-CD1 4.27Å; P893-I964 HydrophobicContact CG-CG2 4.49Å; E960-I964 HydrophobicContact CG-CG1 4.45Å; E960-I964 WeakPolarHBondContact O-CG1 3.26Å; E960-I964 PolarHBondContact O-N 3Å; L961-I964 PolarHBondContact O-N 2.67Å; I964-R966 VanDerWaalsContact C-N 3.32Å; I964-R966 PolarHBondContact O-N 3.25Å; I964-N967 PolarHBondContact O-N 3.44Å; I964-Y968 HydrophobicContact CG2-CD1 4.06Å; I964-Y968 HydrophobicContact CG2-CE1 3.8Å; I964-Y968 VanDerWaalsContact O-CD1 3.32Å; I964-Y968 WeakPolarHBondContact O-CD1 3.37Å; I964-Y968 PolarHBondContact O-N 3.03Å
965	N	93.6	Very high	89.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-58	-44.6	173.4	-166.3	161.4	0	0	0	111.5	L881 M922 Q923 V924 L961 K962 Y968 Q969	L881-N965 HydrophobicContact CD1-CB 4.01Å; L881-N965 VanDerWaalsContact CD1-CG 3.5Å; L881-N965 HydrophobicContact CD2-CB 4.06Å; M922-N965 PolarHBondContact O-ND2 3.17Å; M922-N965 PolarHBondContact O-OD1 2.88Å; M922-N965 VanDerWaalsContact O-OD1 3.07Å; Q923-N965 WeakPolarHBondContact CA-OD1 3.35Å; V924-N965 WeakPolarHBondContact CG2-OD1 3.4Å; V924-N965 PolarHBondContact N-OD1 2.98Å; L961-N965 WeakPolarHBondContact O-CB 3.14Å; L961-N965 PolarHBondContact O-N 3.33Å; K962-N965 PolarHBondContact O-N 3.36Å; N965-Y968 WeakPolarHBondContact O-CB 3.14Å; N965-Y968 PolarHBondContact O-N 2.98Å; N965-Q969 WeakPolarHBondContact O-CG 3.5Å; N965-Q969 PolarHBondContact O-N 3.43Å
966	R	90.8	Very high	89.8	Confident	151 Å²	151	57.9 Å²	57.9	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-62.8	-42.3	174.8	-70.9	177.1	-174.3	176.9	1.8	112	K962 R963 I964 Y968 Q969 T970	K962-R966 WeakPolarHBondContact O-CG 3.46Å; K962-R966 PolarHBondContact O-N 2.85Å; R963-R966 PolarHBondContact O-N 2.97Å; I964-R966 VanDerWaalsContact C-N 3.32Å; I964-R966 PolarHBondContact O-N 3.25Å; R966-Y968 VanDerWaalsContact C-N 3.28Å; R966-Y968 PolarHBondContact O-N 3.31Å; R966-Q969 WeakPolarHBondContact O-CB 3.31Å; R966-Q969 PolarHBondContact O-N 3.34Å; R966-T970 PolarHBondContact O-N 2.85Å; R966-T970 PolarHBondContact O-OG1 2.86Å; R966-T970 VanDerWaalsContact O-OG1 3.09Å
967	N	92.8	Very high	90.1	Very high	55 Å²	55	56.8 Å²	56.8	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-34.2	177.4	-67.3	-17.6	0	0	0	112.4	P893 R963 I964 E971	P893-N967 HydrophobicContact CB-CB 3.92Å; P893-N967 HydrophobicContact CG-CB 3.59Å; R963-N967 PolarHBondContact O-N 2.81Å; R963-N967 PolarHBondContact O-ND2 3Å; R963-N967 PolarHBondContact O-OD1 2.97Å; I964-N967 PolarHBondContact O-N 3.44Å; N967-E971 WeakPolarHBondContact O-CB 3.24Å; N967-E971 VanDerWaalsContact O-CG 3.31Å; N967-E971 WeakPolarHBondContact O-CG 3.46Å; N967-E971 PolarHBondContact O-N 3.05Å
968	Y	96.1	Very high	90.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-48.4	172.6	-84.2	33.7	0	0	0	111.1	D880 L881 L891 P893 F896 L921 I964 N965 R966 T970 E971 I972	D880-Y968 HydrophobicContact CB-CE2 3.8Å; L881-Y968 HydrophobicContact CD2-CD2 4.21Å; L881-Y968 HydrophobicContact CD2-CE2 4.23Å; L881-Y968 HydrophobicContact CD2-CG 4.45Å; L881-Y968 HydrophobicContact CG-CD2 4.27Å; L881-Y968 HydrophobicContact CG-CE2 4.27Å; L891-Y968 VanDerWaalsContact C-OH 3.31Å; L891-Y968 PolarHBondContact O-OH 3.36Å; P893-Y968 VanDerWaalsContact CA-CE1 3.5Å; P893-Y968 HydrophobicContact CB-CD1 3.82Å; P893-Y968 HydrophobicContact CB-CE1 4.08Å; P893-Y968 HydrophobicContact CG-CD1 3.81Å; P893-Y968 HydrophobicContact CG-CE1 3.88Å; F896-Y968 HydrophobicContact CB-CD2 4.3Å; F896-Y968 HydrophobicContact CB-CE1 4.1Å; F896-Y968 HydrophobicContact CB-CE2 3.88Å; F896-Y968 HydrophobicContact CD1-CD1 4.44Å; F896-Y968 AromaticContact CD1-CD2 3.67Å; F896-Y968 HydrophobicContact CD1-CD2 3.67Å; F896-Y968 HydrophobicContact CD1-CE2 4.07Å; F896-Y968 AromaticContact CD1-CG 3.85Å; F896-Y968 HydrophobicContact CD1-CG 3.85Å; F896-Y968 AromaticContact CD2-CD2 3.66Å; F896-Y968 HydrophobicContact CD2-CD2 3.66Å; F896-Y968 AromaticContact CD2-CE2 3.36Å; F896-Y968 HydrophobicContact CD2-CE2 3.36Å; F896-Y968 AromaticContact CE1-CD2 3.82Å; F896-Y968 HydrophobicContact CE1-CD2 3.82Å; F896-Y968 HydrophobicContact CE1-CE2 4.49Å; F896-Y968 HydrophobicContact CE1-CG 4.15Å; F896-Y968 AromaticContact CE2-CD2 3.83Å; F896-Y968 HydrophobicContact CE2-CD2 3.83Å; F896-Y968 AromaticContact CE2-CE2 3.87Å; F896-Y968 HydrophobicContact CE2-CE2 3.87Å; F896-Y968 HydrophobicContact CG-CD1 4.48Å; F896-Y968 AromaticContact CG-CD2 3.59Å; F896-Y968 HydrophobicContact CG-CD2 3.59Å; F896-Y968 HydrophobicContact CG-CE1 4.4Å; F896-Y968 AromaticContact CG-CE2 3.49Å; F896-Y968 HydrophobicContact CG-CE2 3.49Å; F896-Y968 VanDerWaalsContact CG-CE2 3.49Å; F896-Y968 HydrophobicContact CG-CG 4.09Å; F896-Y968 AromaticContact CG-CZ 3.9Å; F896-Y968 AromaticContact CZ-CD2 3.91Å; F896-Y968 HydrophobicContact CZ-CD2 3.91Å; F896-Y968 HydrophobicContact CZ-CE2 4.42Å; L921-Y968 HydrophobicContact CD1-CD2 3.68Å; L921-Y968 HydrophobicContact CD1-CG 4.33Å; I964-Y968 HydrophobicContact CG2-CD1 4.06Å; I964-Y968 HydrophobicContact CG2-CE1 3.8Å; I964-Y968 VanDerWaalsContact O-CD1 3.32Å; I964-Y968 WeakPolarHBondContact O-CD1 3.37Å; I964-Y968 PolarHBondContact O-N 3.03Å; N965-Y968 WeakPolarHBondContact O-CB 3.14Å; N965-Y968 PolarHBondContact O-N 2.98Å; R966-Y968 VanDerWaalsContact C-N 3.28Å; R966-Y968 PolarHBondContact O-N 3.31Å; Y968-T970 PolarHBondContact O-N 2.83Å; Y968-E971 PolarHBondContact O-N 3.25Å; Y968-I972 WeakPolarHBondContact O-CG1 3.26Å; Y968-I972 PolarHBondContact O-N 2.64Å
969	Q	92.3	Very high	90.5	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.023	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-47.6	177.4	-65.3	166.6	-37.3	0	0	110.9	L921 N965 R966 E971 I972 E973 H996	L921-Q969 HydrophobicContact CB-CG 4.31Å; L921-Q969 PolarHBondContact O-NE2 3.35Å; N965-Q969 WeakPolarHBondContact O-CG 3.5Å; N965-Q969 PolarHBondContact O-N 3.43Å; R966-Q969 WeakPolarHBondContact O-CB 3.31Å; R966-Q969 PolarHBondContact O-N 3.34Å; Q969-E971 VanDerWaalsContact C-N 3.34Å; Q969-E971 PolarHBondContact O-N 3.25Å; Q969-I972 WeakPolarHBondContact O-CB 3.38Å; Q969-I972 PolarHBondContact O-N 3.12Å; Q969-E973 PolarHBondContact O-N 3.36Å; Q969-H996 PolarHBondContact NE2-CE1 3.3Å; Q969-H996 PolarHBondContact NE2-ND1 2.91Å; Q969-H996 PolarHBondContact OE1-CE1 3.14Å
970	T	90.6	Very high	91	Very high	83 Å²	83	59.7 Å²	59.7	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-40.9	176.3	-57.4	0	0	0	0	112.6	R966 Y968 E973 Y974	R966-T970 PolarHBondContact O-N 2.85Å; R966-T970 PolarHBondContact O-OG1 2.86Å; R966-T970 VanDerWaalsContact O-OG1 3.09Å; Y968-T970 PolarHBondContact O-N 2.83Å; T970-E973 PolarHBondContact O-N 2.84Å; T970-Y974 VanDerWaalsContact O-CB 3.28Å; T970-Y974 WeakPolarHBondContact O-CB 3.26Å; T970-Y974 PolarHBondContact O-N 3.43Å
971	E	94.6	Very high	91.4	Very high	38 Å²	38	57.4 Å²	57.4	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-33.5	177.7	-78.3	-77.2	164	0	0	112.7	P893 K894 S897 N967 Y968 Q969 L975	P893-E971 HydrophobicContact CB-CG 4.05Å; K894-E971 VanDerWaalsContact NZ-CD 3.32Å; K894-E971 IonicContact NZ-OE1 2.79Å; K894-E971 PolarHBondContact NZ-OE1 3.35Å; K894-E971 IonicContact NZ-OE2 2.78Å; K894-E971 PolarHBondContact NZ-OE2 3.22Å; S897-E971 VanDerWaalsContact CB-OE2 3.26Å; S897-E971 WeakPolarHBondContact CB-OE2 3.16Å; S897-E971 PolarHBondContact OG-OE2 3.25Å; N967-E971 WeakPolarHBondContact O-CB 3.24Å; N967-E971 VanDerWaalsContact O-CG 3.31Å; N967-E971 WeakPolarHBondContact O-CG 3.46Å; N967-E971 PolarHBondContact O-N 3.05Å; Y968-E971 PolarHBondContact O-N 3.25Å; Q969-E971 VanDerWaalsContact C-N 3.34Å; Q969-E971 PolarHBondContact O-N 3.25Å; E971-L975 VanDerWaalsContact O-CB 3.3Å; E971-L975 WeakPolarHBondContact O-CB 3.31Å; E971-L975 PolarHBondContact O-N 2.91Å
972	I	94.5	Very high	91.5	Very high	2 Å²	2	61 Å²	61	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-52.3	172	-68.7	165.7	0	0	0	109.9	F896 L900 L918 L921 Y968 Q969 Y974 L975 I976 L991	F896-I972 HydrophobicContact CE1-CD1 3.75Å; F896-I972 HydrophobicContact CE1-CG1 3.68Å; F896-I972 HydrophobicContact CZ-CD1 4.06Å; F896-I972 HydrophobicContact CZ-CG1 4.39Å; L900-I972 HydrophobicContact CD1-CG1 3.8Å; L918-I972 HydrophobicContact CD2-CG2 3.82Å; L918-I972 HydrophobicContact CG-CG2 4.22Å; L921-I972 HydrophobicContact CD1-CD1 4.33Å; L921-I972 HydrophobicContact CG-CD1 4.36Å; Y968-I972 WeakPolarHBondContact O-CG1 3.26Å; Y968-I972 PolarHBondContact O-N 2.64Å; Q969-I972 WeakPolarHBondContact O-CB 3.38Å; Q969-I972 PolarHBondContact O-N 3.12Å; I972-Y974 PolarHBondContact O-N 2.79Å; I972-L975 PolarHBondContact O-N 2.98Å; I972-I976 WeakPolarHBondContact O-CG1 3.44Å; I972-I976 PolarHBondContact O-N 2.87Å; I972-L991 HydrophobicContact CG2-CD1 3.51Å
973	E	91.1	Very high	91.8	Very high	87 Å²	87	61.5 Å²	61.5	41%	0.407	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-47.4	179.3	-73.8	177.9	177.7	0	0	111.4	Q969 T970 L975 I976 S977 L991	Q969-E973 PolarHBondContact O-N 3.36Å; T970-E973 PolarHBondContact O-N 2.84Å; E973-L975 VanDerWaalsContact C-N 3.32Å; E973-L975 PolarHBondContact O-N 3.27Å; E973-I976 PolarHBondContact O-N 2.67Å; E973-S977 WeakPolarHBondContact O-CB 3.5Å; E973-S977 PolarHBondContact O-N 2.95Å; E973-S977 PolarHBondContact O-OG 2.83Å; E973-L991 HydrophobicContact CG-CD2 3.65Å
974	Y	90.4	Very high	92	Very high	165 Å²	165	58.4 Å²	58.4	65%	0.647	31%	0.306	S	S	*	.	H	α-helix	trans	-61.4	-38.6	179.2	-178.4	-94.4	0	0	0	112.7	T970 I972 I976 S977	T970-Y974 VanDerWaalsContact O-CB 3.28Å; T970-Y974 WeakPolarHBondContact O-CB 3.26Å; T970-Y974 PolarHBondContact O-N 3.43Å; I972-Y974 PolarHBondContact O-N 2.79Å; Y974-I976 VanDerWaalsContact C-N 3.26Å; Y974-I976 PolarHBondContact O-N 3.36Å; Y974-S977 PolarHBondContact O-OG 2.63Å
975	L	92.9	Very high	92.2	Very high	18 Å²	18	64 Å²	64	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-35.2	180	174.6	60.2	0	0	0	112.3	L900 M901 L904 E971 I972 E973	L900-L975 HydrophobicContact CB-CD2 3.74Å; M901-L975 HydrophobicContact CB-CD1 3.69Å; M901-L975 HydrophobicContact CB-CD2 4.16Å; M901-L975 HydrophobicContact CG-CD1 3.88Å; L904-L975 HydrophobicContact CD1-CD2 4.07Å; E971-L975 VanDerWaalsContact O-CB 3.3Å; E971-L975 WeakPolarHBondContact O-CB 3.31Å; E971-L975 PolarHBondContact O-N 2.91Å; I972-L975 PolarHBondContact O-N 2.98Å; E973-L975 VanDerWaalsContact C-N 3.32Å; E973-L975 PolarHBondContact O-N 3.27Å
976	I	91.3	Very high	92.4	Very high	28 Å²	28	65.7 Å²	65.7	14%	0.144	34%	0.341	C	S	.	.	H	α-helix	trans	-108.3	-7.6	-173	66.5	-174.7	0	0	0	114.1	L904 L918 I972 E973 Y974 G978 V989 L991	L904-I976 HydrophobicContact CD1-CG2 4.27Å; L918-I976 HydrophobicContact CD2-CD1 4.4Å; L918-I976 HydrophobicContact CD2-CG2 4.03Å; I972-I976 WeakPolarHBondContact O-CG1 3.44Å; I972-I976 PolarHBondContact O-N 2.87Å; E973-I976 PolarHBondContact O-N 2.67Å; Y974-I976 VanDerWaalsContact C-N 3.26Å; Y974-I976 PolarHBondContact O-N 3.36Å; I976-G978 VanDerWaalsContact C-N 3.27Å; I976-G978 PolarHBondContact O-N 2.99Å; I976-V989 HydrophobicContact CG2-CG1 4.08Å; I976-L991 HydrophobicContact CD1-CB 3.49Å; I976-L991 VanDerWaalsContact CD1-CB 3.49Å; I976-L991 HydrophobicContact CD1-CD1 3.87Å; I976-L991 HydrophobicContact CD1-CD2 4.18Å; I976-L991 HydrophobicContact CD1-CG 4.03Å
977	S	85.6	Confident	92.7	Very high	80 Å²	80	58.6 Å²	58.6	56%	0.559	31%	0.314	S	S	*	.	H	α-helix	trans	-70	-24.3	177.1	64.3	0	0	0	0	113.3	E973 Y974	E973-S977 WeakPolarHBondContact O-CB 3.5Å; E973-S977 PolarHBondContact O-N 2.95Å; E973-S977 PolarHBondContact O-OG 2.83Å; Y974-S977 PolarHBondContact O-OG 2.63Å
978	G	84.2	Confident	92.9	Very high	36 Å²	36	56.4 Å²	56.4	37%	0.371	30%	0.304	S	S	.	.	S	Bend	trans	-72.7	-168.8	178	0	0	0	0	0	114.2	I976 K1069	I976-G978 VanDerWaalsContact C-N 3.27Å; I976-G978 PolarHBondContact O-N 2.99Å; G978-K1069 PolarHBondContact O-NZ 3.04Å
979	D	90.6	Very high	93	Very high	131 Å²	131	57.5 Å²	57.5	70%	0.701	31%	0.31	S	S	*	.	S	Bend	trans	-101.5	5.6	-179.1	61.4	-12.3	0	0	0	113.5	Y981 D982	D979-Y981 PolarHBondContact O-N 2.87Å; D979-D982 WeakPolarHBondContact CA-OD2 3.49Å; D979-D982 PolarHBondContact O-N 3.3Å
980	R	94.1	Very high	93.3	Very high	115 Å²	115	57.4 Å²	57.4	43%	0.434	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.4	-173.5	-173.9	-179.1	-173.5	116.6	-0.5	113.8	M901 D905	M901-R980 VanDerWaalsContact SD-CZ 3.51Å; M901-R980 PolarHBondContact SD-NH1 3.09Å; M901-R980 PolarHBondContact SD-NH2 2.99Å; D905-R980 VanDerWaalsContact CG-NH2 3.31Å; D905-R980 IonicContact OD1-CZ 2.67Å; D905-R980 IonicContact OD1-NE 3.59Å; D905-R980 PolarHBondContact OD1-NE 3.05Å; D905-R980 IonicContact OD1-NH2 2.76Å; D905-R980 PolarHBondContact OD1-NH2 3.3Å; D905-R980 IonicContact OD2-CZ 3.29Å; D905-R980 IonicContact OD2-NE 3.43Å; D905-R980 IonicContact OD2-NH2 2.78Å; D905-R980 PolarHBondContact OD2-NH2 3.06Å
981	Y	95.4	Very high	93.6	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.039	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	7.2	-175.5	-57.8	-59.6	0	0	0	113.4	M901 L904 D905 Y908 D979 G983 F987 V989	M901-Y981 PolarHBondContact O-OH 2.91Å; L904-Y981 HydrophobicContact CB-CE1 4.05Å; L904-Y981 HydrophobicContact CB-CE2 4.08Å; L904-Y981 VanDerWaalsContact CB-OH 3.32Å; L904-Y981 WeakPolarHBondContact CB-OH 3.4Å; L904-Y981 HydrophobicContact CD1-CE2 3.89Å; D905-Y981 WeakPolarHBondContact OD1-CE1 3.43Å; D905-Y981 PolarHBondContact OD1-OH 3.14Å; Y908-Y981 HydrophobicContact CD1-CD1 4.44Å; Y908-Y981 AromaticContact CD2-CD1 4Å; Y908-Y981 HydrophobicContact CD2-CD1 4Å; Y908-Y981 AromaticContact CG-CD1 3.89Å; Y908-Y981 HydrophobicContact CG-CD1 3.89Å; Y908-Y981 HydrophobicContact CG-CE1 4.39Å; D979-Y981 PolarHBondContact O-N 2.87Å; Y981-G983 VanDerWaalsContact C-N 3.32Å; Y981-F987 AromaticContact CD1-CE1 3.9Å; Y981-F987 HydrophobicContact CD1-CE1 3.9Å; Y981-F987 HydrophobicContact CG-CE1 4.01Å; Y981-V989 HydrophobicContact CD2-CG2 3.9Å; Y981-V989 HydrophobicContact CE2-CG2 4.47Å; Y981-V989 HydrophobicContact CG-CG2 4.05Å
982	D	91.3	Very high	93.7	Very high	85 Å²	85	53.1 Å²	53.1	46%	0.455	29%	0.285	S	S	.	.			trans	-88	0.4	-176.6	-64.4	-12.8	0	0	0	112.4	D979 K984 K1069	D979-D982 WeakPolarHBondContact CA-OD2 3.49Å; D979-D982 PolarHBondContact O-N 3.3Å; D982-K984 VanDerWaalsContact C-N 3.31Å; D982-K984 PolarHBondContact O-N 2.88Å; D982-K1069 IonicContact OD2-NZ 3.91Å; D982-K1069 PolarHBondContact OD2-NZ 3.35Å
983	G	92.1	Very high	93.7	Very high	63 Å²	63	53.7 Å²	53.7	65%	0.649	29%	0.289	S	S	*	.	S	Bend	trans	-80.7	1.2	-173.7	0	0	0	0	0	116	Y908 Y981	Y908-G983 WeakPolarHBondContact OH-CA 3.49Å; Y981-G983 VanDerWaalsContact C-N 3.32Å
984	K	94.8	Very high	93.6	Very high	68 Å²	68	49.6 Å²	49.6	30%	0.296	27%	0.27	S	S	.	.			trans	-136.1	135.6	-178.1	-71.6	-175.8	178.9	-169	0	111	Y908 D982 D986 F987	Y908-K984 HydrophobicContact CD2-CD 4.12Å; Y908-K984 HydrophobicContact CE2-CB 4.07Å; Y908-K984 HydrophobicContact CE2-CD 3.65Å; Y908-K984 HydrophobicContact CE2-CG 3.75Å; Y908-K984 PolarHBondContact O-NZ 3.26Å; D982-K984 VanDerWaalsContact C-N 3.31Å; D982-K984 PolarHBondContact O-N 2.88Å; K984-D986 PolarHBondContact O-N 3.3Å; K984-F987 HydrophobicContact CB-CB 4.07Å; K984-F987 HydrophobicContact CD-CB 4.37Å
985	E	96.6	Very high	93.5	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23	172.6	-73	-64.7	152.3	0	0	112.6	S753 V754 H755	S753-E985 CarbonylContact C-O 3.47Å; S753-E985 VanDerWaalsContact CA-O 3.24Å; S753-E985 WeakPolarHBondContact CA-O 3.49Å; S753-E985 VanDerWaalsContact CB-OE2 3.23Å; S753-E985 WeakPolarHBondContact CB-OE2 3.24Å; S753-E985 PolarHBondContact OG-OE2 3.04Å; V754-E985 WeakPolarHBondContact CG1-O 3.46Å; V754-E985 PolarHBondContact N-O 2.95Å; H755-E985 IonicContact CD2-OE2 3.63Å
986	D	97.6	Very high	93	Very high	40 Å²	40	41.8 Å²	41.8	21%	0.214	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	14.6	-175.1	76.6	-38.1	0	0	0	114.1	W869 P912 R913 V914 K984	W869-D986 HydrophobicContact CH2-CB 4.13Å; P912-D986 WeakPolarHBondContact CA-OD2 3.03Å; R913-D986 CarbonylContact C-O 3.53Å; R913-D986 WeakPolarHBondContact CA-O 3.49Å; R913-D986 HydrophobicContact CG-CB 4.06Å; R913-D986 PolarHBondContact N-O 2.94Å; R913-D986 PolarHBondContact N-OD2 3.25Å; V914-D986 PolarHBondContact N-O 3.36Å; K984-D986 PolarHBondContact O-N 3.3Å
987	F	98.3	Very high	92.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.4	-179.3	-171.6	-84.8	0	0	0	112.2	L907 Y908 V914 V916 Y981 K984 V989	L907-F987 HydrophobicContact CB-CE2 3.92Å; L907-F987 HydrophobicContact CB-CZ 4.27Å; Y908-F987 HydrophobicContact CD2-CB 4.09Å; Y908-F987 AromaticContact CD2-CD1 3.43Å; Y908-F987 HydrophobicContact CD2-CD1 3.43Å; Y908-F987 VanDerWaalsContact CD2-CD1 3.43Å; Y908-F987 HydrophobicContact CD2-CD2 4.08Å; Y908-F987 AromaticContact CD2-CE1 3.73Å; Y908-F987 HydrophobicContact CD2-CE1 3.73Å; Y908-F987 HydrophobicContact CD2-CE2 4.43Å; Y908-F987 AromaticContact CD2-CG 3.61Å; Y908-F987 HydrophobicContact CD2-CG 3.61Å; Y908-F987 HydrophobicContact CD2-CZ 4.25Å; Y908-F987 HydrophobicContact CE2-CB 4.35Å; Y908-F987 HydrophobicContact CE2-CD1 4.1Å; Y908-F987 HydrophobicContact CE2-CG 4.3Å; Y908-F987 HydrophobicContact CG-CD1 4.43Å; Y908-F987 HydrophobicContact CG-CE1 4.34Å; Y908-F987 VanDerWaalsContact N-CE2 3.31Å; V914-F987 HydrophobicContact CG1-CD2 3.14Å; V914-F987 HydrophobicContact CG1-CE2 3.38Å; V914-F987 HydrophobicContact CG1-CG 4.2Å; V914-F987 WeakPolarHBondContact O-CA 3.22Å; V916-F987 HydrophobicContact CG2-CE2 4.24Å; V916-F987 HydrophobicContact CG2-CZ 4.1Å; Y981-F987 AromaticContact CD1-CE1 3.9Å; Y981-F987 HydrophobicContact CD1-CE1 3.9Å; Y981-F987 HydrophobicContact CG-CE1 4.01Å; K984-F987 HydrophobicContact CB-CB 4.07Å; K984-F987 HydrophobicContact CD-CB 4.37Å; F987-V989 HydrophobicContact CD1-CG2 4.47Å; F987-V989 HydrophobicContact CE1-CG2 3.47Å; F987-V989 VanDerWaalsContact CE1-CG2 3.47Å; F987-V989 HydrophobicContact CZ-CG2 3.9Å
988	A	97.8	Very high	91	Very high	9 Å²	9	41.9 Å²	41.9	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.7	165.7	0	0	0	0	0	111.5	V754 V914 L915 V916 T1068	V754-A988 HydrophobicContact CB-CB 4.41Å; V754-A988 HydrophobicContact CG1-CB 3.64Å; V754-A988 HydrophobicContact CG2-CB 3.88Å; V914-A988 PolarHBondContact O-N 3.06Å; L915-A988 HydrophobicContact CD1-CB 3.97Å; V916-A988 PolarHBondContact N-O 3.27Å; A988-T1068 HydrophobicContact CB-CG2 4.21Å
989	V	98.1	Very high	89.9	Confident	23 Å²	23	43.5 Å²	43.5	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.4	165.9	-168.1	0	0	0	0	108.1	L904 V916 L918 I976 Y981 F987	L904-V989 HydrophobicContact CD1-CG1 4.24Å; L904-V989 HydrophobicContact CD1-CG2 4.43Å; L904-V989 HydrophobicContact CD2-CG1 4.02Å; L904-V989 HydrophobicContact CD2-CG2 3.99Å; V916-V989 HydrophobicContact CB-CB 4.45Å; V916-V989 HydrophobicContact CB-CG1 4.22Å; V916-V989 HydrophobicContact CB-CG2 4.29Å; V916-V989 HydrophobicContact CG1-CG1 4.24Å; L918-V989 HydrophobicContact CB-CG1 3.95Å; L918-V989 HydrophobicContact CD2-CG1 4.38Å; I976-V989 HydrophobicContact CG2-CG1 4.08Å; Y981-V989 HydrophobicContact CD2-CG2 3.9Å; Y981-V989 HydrophobicContact CE2-CG2 4.47Å; Y981-V989 HydrophobicContact CG-CG2 4.05Å; F987-V989 HydrophobicContact CD1-CG2 4.47Å; F987-V989 HydrophobicContact CE1-CG2 3.47Å; F987-V989 VanDerWaalsContact CE1-CG2 3.47Å; F987-V989 HydrophobicContact CZ-CG2 3.9Å
990	V	97.5	Very high	88.7	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.5	-179.3	-178.2	0	0	0	0	108.8	L915 V916 L918 V1040 K1043 T1068	L915-V990 HydrophobicContact CD1-CG2 3.78Å; V916-V990 PolarHBondContact O-N 3.49Å; L918-V990 PolarHBondContact N-O 3.25Å; V990-V1040 HydrophobicContact CG1-CG2 4.2Å; V990-K1043 VanDerWaalsContact CG1-CE 3.4Å; V990-T1068 HydrophobicContact CG2-CG2 4.12Å
991	L	97.3	Very high	87.1	Confident	30 Å²	30	33.4 Å²	33.4	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.7	170.4	-163.9	53.2	0	0	0	109.5	L918 D920 I972 E973 I976 P993 K1043	L918-L991 CarbonylContact O-C 3.54Å; L918-L991 WeakPolarHBondContact O-CA 3.46Å; L918-L991 WeakPolarHBondContact O-CD1 3.35Å; D920-L991 HydrophobicContact CB-CD1 4.12Å; I972-L991 HydrophobicContact CG2-CD1 3.51Å; E973-L991 HydrophobicContact CG-CD2 3.65Å; I976-L991 HydrophobicContact CD1-CB 3.49Å; I976-L991 VanDerWaalsContact CD1-CB 3.49Å; I976-L991 HydrophobicContact CD1-CD1 3.87Å; I976-L991 HydrophobicContact CD1-CD2 4.18Å; I976-L991 HydrophobicContact CD1-CG 4.03Å; L991-P993 WeakPolarHBondContact O-CD 3.45Å; L991-K1043 WeakPolarHBondContact O-CD 3.47Å; L991-K1043 WeakPolarHBondContact O-CE 3.48Å
992	Q	97.3	Very high	85.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	87.4	172	-54.2	-64.5	-3.2	0	0	108.4	N917 L918 V919 D920 F994 L1032 N1035	N917-Q992 HydrophobicContact CB-CG 4.06Å; N917-Q992 PolarHBondContact OD1-NE2 2.88Å; L918-Q992 PolarHBondContact O-N 2.95Å; V919-Q992 HydrophobicContact CG2-CB 4.26Å; D920-Q992 PolarHBondContact N-O 3.45Å; Q992-F994 HydrophobicContact CB-CD1 4.1Å; Q992-F994 HydrophobicContact CB-CE1 4.37Å; Q992-F994 PolarHBondContact O-N 3.49Å; Q992-L1032 HydrophobicContact CB-CD1 3.8Å; Q992-L1032 HydrophobicContact CG-CD1 3.59Å; Q992-N1035 WeakPolarHBondContact CA-OD1 3.31Å; Q992-N1035 WeakPolarHBondContact CB-OD1 3.33Å; Q992-N1035 VanDerWaalsContact OE1-C 3.28Å; Q992-N1035 PolarHBondContact OE1-O 3.19Å; Q992-N1035 PolarHBondContact OE1-OD1 2.94Å; Q992-N1035 VanDerWaalsContact OE1-OD1 3.13Å
993	P	92.9	Very high	83.4	Confident	15 Å²	15	36 Å²	36	10%	0.097	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-77.8	3.3	-172.7	32	-37.7	0	0	0	114.4	D920 L991 F995 H996 N1035 K1043 Q1044 A1045	D920-P993 HydrophobicContact CB-CB 4.5Å; L991-P993 WeakPolarHBondContact O-CD 3.45Å; P993-F995 PolarHBondContact O-N 3.08Å; P993-H996 VanDerWaalsContact O-CB 3.22Å; P993-H996 WeakPolarHBondContact O-CB 3.45Å; P993-H996 PolarHBondContact O-N 3.38Å; P993-N1035 WeakPolarHBondContact CD-OD1 3.32Å; P993-N1035 VanDerWaalsContact N-OD1 3.08Å; P993-K1043 HydrophobicContact CG-CB 3.74Å; P993-Q1044 CarbonylContact C-O 3.59Å; P993-A1045 HydrophobicContact CB-CB 4.13Å; P993-A1045 CarbonylContact O-C 3.55Å; P993-A1045 WeakPolarHBondContact O-CA 3.41Å; P993-A1045 VanDerWaalsContact O-O 3.07Å
994	F	90	Very high	81.3	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-54.1	-13.8	-177.1	81.5	-83.3	0	0	0	114.9	W795 V919 Q992 M1028 L1032 N1035 Q1044 Y1046 N1047	W795-F994 HydrophobicContact CE3-CZ 4.35Å; W795-F994 HydrophobicContact CH2-CZ 4.16Å; W795-F994 HydrophobicContact CZ3-CE1 4.18Å; W795-F994 AromaticContact CZ3-CZ 3.65Å; W795-F994 HydrophobicContact CZ3-CZ 3.65Å; V919-F994 HydrophobicContact CG1-CD1 4.46Å; V919-F994 HydrophobicContact CG1-CE1 3.64Å; V919-F994 HydrophobicContact CG1-CZ 4.07Å; V919-F994 HydrophobicContact CG2-CE1 4.28Å; Q992-F994 HydrophobicContact CB-CD1 4.1Å; Q992-F994 HydrophobicContact CB-CE1 4.37Å; Q992-F994 PolarHBondContact O-N 3.49Å; F994-M1028 HydrophobicContact CE2-CB 4.33Å; F994-M1028 WeakPolarHBondContact CE2-O 3.37Å; F994-L1032 HydrophobicContact CD1-CB 4.31Å; F994-L1032 HydrophobicContact CE1-CB 3.65Å; F994-L1032 HydrophobicContact CE1-CD1 3.99Å; F994-L1032 HydrophobicContact CE1-CG 4.37Å; F994-L1032 HydrophobicContact CZ-CB 3.85Å; F994-N1035 HydrophobicContact CB-CB 4.11Å; F994-N1035 HydrophobicContact CD1-CB 4.37Å; F994-N1035 PolarHBondContact N-OD1 2.83Å; F994-Q1044 VanDerWaalsContact CA-O 3.31Å; F994-Q1044 WeakPolarHBondContact CA-O 3.26Å; F994-Q1044 PolarHBondContact N-O 3.07Å; F994-Y1046 CarbonylContact O-C 3.32Å; F994-Y1046 WeakPolarHBondContact O-CA 3.37Å; F994-N1047 HydrophobicContact CD2-CB 4.06Å; F994-N1047 WeakPolarHBondContact O-CB 3.47Å; F994-N1047 PolarHBondContact O-N 3.45Å
995	F	87.1	Confident	78.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-105.1	-2.4	178.8	-155.2	-137.1	0	0	0	114	F875 V919 M922 P993 S998 L1020 M1028 F1049	F875-F995 HydrophobicContact CD2-CD1 4.49Å; F875-F995 AromaticContact CE2-CD1 3.59Å; F875-F995 HydrophobicContact CE2-CD1 3.59Å; F875-F995 AromaticContact CE2-CE1 3.9Å; F875-F995 HydrophobicContact CE2-CE1 3.9Å; F875-F995 AromaticContact CZ-CD1 3.87Å; F875-F995 HydrophobicContact CZ-CD1 3.87Å; F875-F995 AromaticContact CZ-CE1 3.66Å; F875-F995 HydrophobicContact CZ-CE1 3.66Å; V919-F995 HydrophobicContact CG1-CB 4.25Å; M922-F995 WeakPolarHBondContact CA-O 3.38Å; M922-F995 HydrophobicContact CB-CD1 3.98Å; M922-F995 HydrophobicContact CB-CE1 3.95Å; M922-F995 HydrophobicContact CB-CE2 4.44Å; M922-F995 HydrophobicContact CB-CG 4.28Å; M922-F995 HydrophobicContact CB-CZ 4.17Å; M922-F995 WeakPolarHBondContact CB-O 3.31Å; M922-F995 HydrophobicContact CE-CE1 3.4Å; M922-F995 HydrophobicContact CE-CZ 3.44Å; M922-F995 VanDerWaalsContact CE-CZ 3.44Å; M922-F995 HydrophobicContact CG-CD1 4.35Å; M922-F995 HydrophobicContact CG-CE1 3.89Å; M922-F995 HydrophobicContact CG-CZ 4.12Å; M922-F995 HydrophobicContact SD-CE1 3.63Å; M922-F995 HydrophobicContact SD-CE2 4.11Å; M922-F995 HydrophobicContact SD-CZ 3.32Å; M922-F995 WeakPolarHBondContact SD-CZ 3.23Å; P993-F995 PolarHBondContact O-N 3.08Å; F995-S998 WeakPolarHBondContact CD2-OG 3.43Å; F995-S998 WeakPolarHBondContact CE2-OG 3.38Å; F995-S998 PolarHBondContact O-OG 2.99Å; F995-L1020 HydrophobicContact CZ-CD1 4.14Å; F995-M1028 HydrophobicContact CD1-CE 4.21Å; F995-M1028 HydrophobicContact CD2-CE 4.38Å; F995-M1028 HydrophobicContact CE1-CE 3.84Å; F995-M1028 HydrophobicContact CE2-CE 4.12Å; F995-M1028 HydrophobicContact CE2-CG 4.4Å; F995-M1028 HydrophobicContact CE2-SD 4.32Å; F995-M1028 HydrophobicContact CG-CE 4.47Å; F995-M1028 HydrophobicContact CZ-CE 3.83Å; F995-M1028 HydrophobicContact CZ-SD 4.22Å; F995-F1049 HydrophobicContact CD2-CZ 4.47Å; F995-F1049 HydrophobicContact CE2-CE2 4.48Å; F995-F1049 AromaticContact CE2-CZ 3.95Å; F995-F1049 HydrophobicContact CE2-CZ 3.95Å
996	H	83.8	Confident	76.4	Confident	16 Å²	16	35 Å²	35	7%	0.074	20%	0.201	C	C	.	.	S	Bend	trans	-57.7	-54.1	-175.8	-176.2	114.6	0	0	0	112.5	D920 L921 Q923 Q969 P993 A1045	D920-H996 IonicContact OD2-CE1 3.55Å; D920-H996 IonicContact OD2-CG 2.86Å; D920-H996 IonicContact OD2-ND1 3.72Å; D920-H996 PolarHBondContact OD2-ND1 3.27Å; L921-H996 WeakPolarHBondContact O-CA 3.36Å; Q923-H996 PolarHBondContact N-O 2.98Å; Q969-H996 PolarHBondContact NE2-CE1 3.3Å; Q969-H996 PolarHBondContact NE2-ND1 2.91Å; Q969-H996 PolarHBondContact OE1-CE1 3.14Å; P993-H996 VanDerWaalsContact O-CB 3.22Å; P993-H996 WeakPolarHBondContact O-CB 3.45Å; P993-H996 PolarHBondContact O-N 3.38Å; H996-A1045 HydrophobicContact CB-CB 4.37Å; H996-A1045 WeakPolarHBondContact CB-O 3.41Å
997	Y	71.2	Confident	74.4	Confident	101 Å²	101	39.1 Å²	39.1	40%	0.396	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-103	84	174.1	-56.7	-74.4	0	0	0	109.1	L534 A1045 Y1046	L534-Y997 WeakPolarHBondContact CD1-O 3.46Å; Y997-A1045 HydrophobicContact CD2-CB 3.86Å; Y997-A1045 WeakPolarHBondContact CD2-O 3.49Å; Y997-A1045 HydrophobicContact CE2-CB 3.99Å; Y997-A1045 PolarHBondContact N-O 2.88Å; Y997-Y1046 WeakPolarHBondContact O-CB 3.19Å
998	S	62.7	Low	72.9	Confident	9 Å²	9	40 Å²	40	6%	0.063	22%	0.224	C	C	.	.			trans	-90.9	116.7	178.8	-68.1	0	0	0	0	111.6	F995	F995-S998 WeakPolarHBondContact CD2-OG 3.43Å; F995-S998 WeakPolarHBondContact CE2-OG 3.38Å; F995-S998 PolarHBondContact O-OG 2.99Å
999	F	61	Low	71.9	Confident	71 Å²	71	40.9 Å²	40.9	31%	0.311	23%	0.228	S	C	.	.			trans	-86.4	146.8	172.5	175.9	-110.3	0	0	0	110.9	L534 P1001 Q1002	L534-F999 HydrophobicContact CD1-CB 4.43Å; F999-P1001 WeakPolarHBondContact O-CD 3.23Å; F999-Q1002 HydrophobicContact CZ-CG 4.11Å
1000	I	65.3	Low	71	Confident	13 Å²	13	41.2 Å²	41.2	7%	0.067	23%	0.23	C	C	.	.			trans	-98.2	111.9	171.7	-55.6	-171.7	0	0	0	108.1	V926 V930 Q1002 V1008 F1013	V926-I1000 HydrophobicContact CB-CD1 3.84Å; V926-I1000 HydrophobicContact CB-CG1 4.09Å; V926-I1000 HydrophobicContact CG2-CD1 3.95Å; V926-I1000 HydrophobicContact CG2-CG1 4.21Å; V926-I1000 WeakPolarHBondContact O-CD1 3.25Å; V930-I1000 HydrophobicContact CG2-CD1 3.21Å; V930-I1000 HydrophobicContact CG2-CG2 4.33Å; I1000-Q1002 PolarHBondContact O-N 3.49Å; I1000-V1008 HydrophobicContact CB-CG2 4.44Å; I1000-V1008 HydrophobicContact CG2-CB 4.1Å; I1000-V1008 HydrophobicContact CG2-CG1 3.31Å; I1000-V1008 HydrophobicContact CG2-CG2 3.8Å; I1000-F1013 HydrophobicContact CD1-CZ 3.8Å; I1000-F1013 HydrophobicContact CG1-CZ 4.09Å; I1000-F1013 HydrophobicContact CG2-CE2 3.57Å; I1000-F1013 HydrophobicContact CG2-CZ 3.74Å
1001	P	62.1	Low	70.4	Confident	20 Å²	20	43.6 Å²	43.6	13%	0.13	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-51.6	139.9	178.7	-28.9	38.5	0	0	0	111.3	F999 D1009 F1012 F1049	F999-P1001 WeakPolarHBondContact O-CD 3.23Å; P1001-D1009 HydrophobicContact CB-CB 4.16Å; P1001-D1009 WeakPolarHBondContact O-CB 3.32Å; P1001-D1009 PolarHBondContact O-N 3.41Å; P1001-F1012 HydrophobicContact CB-CD2 3.85Å; P1001-F1012 HydrophobicContact CB-CE2 3.46Å; P1001-F1012 VanDerWaalsContact CB-CE2 3.46Å; P1001-F1012 HydrophobicContact CB-CZ 4.15Å; P1001-F1012 HydrophobicContact CG-CD1 4.48Å; P1001-F1012 HydrophobicContact CG-CD2 3.69Å; P1001-F1012 HydrophobicContact CG-CE1 4.26Å; P1001-F1012 HydrophobicContact CG-CE2 3.42Å; P1001-F1012 VanDerWaalsContact CG-CE2 3.42Å; P1001-F1012 HydrophobicContact CG-CG 4.22Å; P1001-F1012 HydrophobicContact CG-CZ 3.73Å; P1001-F1049 HydrophobicContact CG-CB 3.37Å; P1001-F1049 HydrophobicContact CG-CG 4.33Å
1002	Q	57.6	Low	69.9	Low	94 Å²	94	42.3 Å²	42.3	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.8	177.3	-67.5	179.3	-3.9	0	0	110.1	F999 I1000 E1007	F999-Q1002 HydrophobicContact CZ-CG 4.11Å; I1000-Q1002 PolarHBondContact O-N 3.49Å; Q1002-E1007 CarbonylContact C-O 3.55Å; Q1002-E1007 WeakPolarHBondContact CA-O 3.41Å; Q1002-E1007 WeakPolarHBondContact CB-O 3.15Å
1003	T	51	Low	69.5	Low	57 Å²	57	43.1 Å²	43.1	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.5	158	45.1	0	0	0	0	107.9	L1005 G1006 E1007 D1009	T1003-L1005 PolarHBondContact O-N 3.07Å; T1003-G1006 PolarHBondContact O-N 3.4Å; T1003-E1007 PolarHBondContact N-O 2.6Å; T1003-E1007 PolarHBondContact O-N 2.87Å; T1003-E1007 PolarHBondContact OG1-O 3.36Å; T1003-E1007 VanDerWaalsContact OG1-O 3.11Å; T1003-D1009 HydrophobicContact CG2-CB 3.82Å
1004	G	47.9	Very low	69.4	Low	52 Å²	52	42.9 Å²	42.9	54%	0.536	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	134.8	178.7	0	0	0	0	0	111.5
1005	L	42.7	Very low	69.3	Low	136 Å²	136	43.8 Å²	43.8	71%	0.712	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.6	6.3	-162.1	-61.6	165.8	0	0	0	115.6	T1003 E1007	T1003-L1005 PolarHBondContact O-N 3.07Å; L1005-E1007 PolarHBondContact O-N 3.28Å
1006	G	45.4	Very low	69.3	Low	40 Å²	40	43.7 Å²	43.7	41%	0.412	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.4	177.6	0	0	0	0	0	113.8	T1003	T1003-G1006 PolarHBondContact O-N 3.4Å
1007	E	55.2	Low	69.5	Low	128 Å²	128	43 Å²	43	60%	0.598	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	141	173.2	-66.3	-173.7	167.8	0	0	109.7	Q1002 T1003 L1005 D1009	Q1002-E1007 CarbonylContact C-O 3.55Å; Q1002-E1007 WeakPolarHBondContact CA-O 3.41Å; Q1002-E1007 WeakPolarHBondContact CB-O 3.15Å; T1003-E1007 PolarHBondContact N-O 2.6Å; T1003-E1007 PolarHBondContact O-N 2.87Å; T1003-E1007 PolarHBondContact OG1-O 3.36Å; T1003-E1007 VanDerWaalsContact OG1-O 3.11Å; L1005-E1007 PolarHBondContact O-N 3.28Å; E1007-D1009 PolarHBondContact O-N 3.49Å
1008	V	67.9	Low	70.3	Confident	20 Å²	20	39 Å²	39	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.1	174.8	159	0	0	0	0	110.5	T929 V930 I1000 T1010 F1013	T929-V1008 WeakPolarHBondContact O-CG2 3.41Å; V930-V1008 HydrophobicContact CB-CG1 4.37Å; V930-V1008 HydrophobicContact CG1-CG1 3.98Å; V930-V1008 HydrophobicContact CG2-CG1 4.22Å; I1000-V1008 HydrophobicContact CB-CG2 4.44Å; I1000-V1008 HydrophobicContact CG2-CB 4.1Å; I1000-V1008 HydrophobicContact CG2-CG1 3.31Å; I1000-V1008 HydrophobicContact CG2-CG2 3.8Å; V1008-T1010 VanDerWaalsContact C-N 3.31Å; V1008-T1010 HydrophobicContact CG1-CG2 4.33Å; V1008-T1010 PolarHBondContact O-N 3.4Å; V1008-F1013 HydrophobicContact CG1-CE2 4.04Å
1009	D	76.1	Confident	71.7	Confident	27 Å²	27	39.4 Å²	39.4	14%	0.144	23%	0.231	C	C	.	.			trans	-68.7	89.5	168.3	-171.6	-7.2	0	0	0	109.6	P1001 T1003 E1007 S1011 F1012 R1023	P1001-D1009 HydrophobicContact CB-CB 4.16Å; P1001-D1009 WeakPolarHBondContact O-CB 3.32Å; P1001-D1009 PolarHBondContact O-N 3.41Å; T1003-D1009 HydrophobicContact CG2-CB 3.82Å; E1007-D1009 PolarHBondContact O-N 3.49Å; D1009-S1011 PolarHBondContact O-N 3.12Å; D1009-S1011 VanDerWaalsContact OD1-CB 3.25Å; D1009-S1011 WeakPolarHBondContact OD1-CB 3.47Å; D1009-S1011 PolarHBondContact OD1-N 2.81Å; D1009-S1011 PolarHBondContact OD1-OG 2.97Å; D1009-S1011 PolarHBondContact OD2-OG 3.04Å; D1009-F1012 HydrophobicContact CB-CD2 4Å; D1009-F1012 HydrophobicContact CB-CE2 4.15Å; D1009-F1012 PolarHBondContact O-N 3.31Å; D1009-F1012 WeakPolarHBondContact OD2-CE2 3.33Å; D1009-R1023 IonicContact OD1-NH1 2.8Å; D1009-R1023 IonicContact OD2-CZ 3.23Å; D1009-R1023 IonicContact OD2-NH1 3.01Å; D1009-R1023 PolarHBondContact OD2-NH1 3.13Å; D1009-R1023 IonicContact OD2-NH2 3.78Å
1010	T	79.8	Confident	73.2	Confident	31 Å²	31	36.5 Å²	36.5	19%	0.19	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.2	-9.1	-179.7	60.5	0	0	0	0	113.8	K932 V1008 F1012 F1013	K932-T1010 HydrophobicContact CB-CG2 4.24Å; K932-T1010 HydrophobicContact CD-CG2 4.14Å; K932-T1010 HydrophobicContact CG-CG2 4.39Å; K932-T1010 PolarHBondContact NZ-OG1 3.39Å; K932-T1010 VanDerWaalsContact NZ-OG1 3.15Å; V1008-T1010 VanDerWaalsContact C-N 3.31Å; V1008-T1010 HydrophobicContact CG1-CG2 4.33Å; V1008-T1010 PolarHBondContact O-N 3.4Å; T1010-F1012 PolarHBondContact O-N 2.98Å; T1010-F1013 PolarHBondContact O-N 3.11Å; T1010-F1013 VanDerWaalsContact O-N 3.09Å
1011	S	84.1	Confident	74.5	Confident	52 Å²	52	36.5 Å²	36.5	36%	0.364	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-71.6	-10.1	177.5	71.8	0	0	0	0	114.1	D1009 F1013 S1021 R1023	D1009-S1011 PolarHBondContact O-N 3.12Å; D1009-S1011 VanDerWaalsContact OD1-CB 3.25Å; D1009-S1011 WeakPolarHBondContact OD1-CB 3.47Å; D1009-S1011 PolarHBondContact OD1-N 2.81Å; D1009-S1011 PolarHBondContact OD1-OG 2.97Å; D1009-S1011 PolarHBondContact OD2-OG 3.04Å; S1011-F1013 VanDerWaalsContact C-N 3.3Å; S1011-S1021 PolarHBondContact O-OG 2.61Å; S1011-R1023 PolarHBondContact OG-NH1 3.22Å
1012	F	87	Confident	76	Confident	3 Å²	3	37.1 Å²	37.1	1%	0.013	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-79.3	-12.9	169.1	-73.2	-84.8	0	0	0	113.3	P1001 D1009 T1010 S1021 R1023 A1024 E1027 F1049	P1001-F1012 HydrophobicContact CB-CD2 3.85Å; P1001-F1012 HydrophobicContact CB-CE2 3.46Å; P1001-F1012 VanDerWaalsContact CB-CE2 3.46Å; P1001-F1012 HydrophobicContact CB-CZ 4.15Å; P1001-F1012 HydrophobicContact CG-CD1 4.48Å; P1001-F1012 HydrophobicContact CG-CD2 3.69Å; P1001-F1012 HydrophobicContact CG-CE1 4.26Å; P1001-F1012 HydrophobicContact CG-CE2 3.42Å; P1001-F1012 VanDerWaalsContact CG-CE2 3.42Å; P1001-F1012 HydrophobicContact CG-CG 4.22Å; P1001-F1012 HydrophobicContact CG-CZ 3.73Å; D1009-F1012 HydrophobicContact CB-CD2 4Å; D1009-F1012 HydrophobicContact CB-CE2 4.15Å; D1009-F1012 PolarHBondContact O-N 3.31Å; D1009-F1012 WeakPolarHBondContact OD2-CE2 3.33Å; T1010-F1012 PolarHBondContact O-N 2.98Å; F1012-S1021 WeakPolarHBondContact CA-OG 3.2Å; F1012-S1021 WeakPolarHBondContact O-CB 3.46Å; F1012-S1021 PolarHBondContact O-N 3.16Å; F1012-S1021 PolarHBondContact O-OG 3.05Å; F1012-R1023 HydrophobicContact CD1-CG 3.93Å; F1012-R1023 HydrophobicContact CE1-CG 3.65Å; F1012-R1023 HydrophobicContact CZ-CG 4.22Å; F1012-R1023 VanDerWaalsContact CZ-NH2 3.26Å; F1012-A1024 HydrophobicContact CB-CB 4.28Å; F1012-A1024 HydrophobicContact CD1-CB 4.03Å; F1012-A1024 VanDerWaalsContact O-CB 3.26Å; F1012-A1024 WeakPolarHBondContact O-CB 3.32Å; F1012-E1027 HydrophobicContact CE1-CG 4.4Å; F1012-F1049 HydrophobicContact CD1-CB 4.3Å; F1012-F1049 AromaticContact CD1-CD1 3.92Å; F1012-F1049 HydrophobicContact CD1-CD1 3.92Å; F1012-F1049 HydrophobicContact CE1-CB 3.83Å; F1012-F1049 HydrophobicContact CE1-CD1 4.04Å; F1012-F1049 HydrophobicContact CE1-CG 4.42Å; F1012-F1049 WeakPolarHBondContact CE1-O 3.21Å; F1012-F1049 HydrophobicContact CZ-CB 4.19Å; F1012-F1049 WeakPolarHBondContact CZ-O 3.28Å
1013	F	89.5	Confident	77.7	Confident	18 Å²	18	34.2 Å²	34.2	8%	0.079	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-111.8	156.7	-178.4	-55.5	-89.5	0	0	0	111.6	F927 V930 I1000 V1008 T1010 S1011 H1019 L1020	F927-F1013 HydrophobicContact CD1-CE1 4.15Å; F927-F1013 AromaticContact CE1-CE1 3.93Å; F927-F1013 HydrophobicContact CE1-CE1 3.93Å; V930-F1013 HydrophobicContact CG1-CD2 3.77Å; V930-F1013 HydrophobicContact CG1-CE2 3.93Å; V930-F1013 HydrophobicContact CG1-CG 4.1Å; V930-F1013 HydrophobicContact CG1-CZ 4.38Å; V930-F1013 HydrophobicContact CG2-CD2 4.41Å; V930-F1013 HydrophobicContact CG2-CE1 3.96Å; V930-F1013 HydrophobicContact CG2-CE2 3.78Å; V930-F1013 HydrophobicContact CG2-CZ 3.55Å; I1000-F1013 HydrophobicContact CD1-CZ 3.8Å; I1000-F1013 HydrophobicContact CG1-CZ 4.09Å; I1000-F1013 HydrophobicContact CG2-CE2 3.57Å; I1000-F1013 HydrophobicContact CG2-CZ 3.74Å; V1008-F1013 HydrophobicContact CG1-CE2 4.04Å; T1010-F1013 PolarHBondContact O-N 3.11Å; T1010-F1013 VanDerWaalsContact O-N 3.09Å; S1011-F1013 VanDerWaalsContact C-N 3.3Å; F1013-H1019 CarbonylContact C-O 3.47Å; F1013-H1019 WeakPolarHBondContact CA-O 3.34Å; F1013-L1020 HydrophobicContact CD1-CD2 3.85Å; F1013-L1020 HydrophobicContact CE1-CD2 3.72Å
1014	S	90.5	Very high	79.6	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.063	19%	0.19	C	C	.	.			trans	-72.5	-177.6	170.4	-165.2	0	0	0	0	111.1	G777 S780 D1016 C1017 H1019	G777-S1014 WeakPolarHBondContact O-CB 2.94Å; G777-S1014 PolarHBondContact O-OG 2.85Å; S780-S1014 PolarHBondContact O-OG 3.05Å; S1014-D1016 PolarHBondContact O-N 3.24Å; S1014-C1017 PolarHBondContact O-N 2.92Å; S1014-H1019 WeakPolarHBondContact CB-O 3.46Å; S1014-H1019 PolarHBondContact N-O 3.35Å
1015	A	88.4	Confident	81.8	Confident	20 Å²	20	29 Å²	29	17%	0.165	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.8	-176.7	0	0	0	0	0	114.9	G936	G936-A1015 WeakPolarHBondContact CA-O 3.21Å
1016	D	87.3	Confident	84.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.4	179.1	70.4	-7.5	0	0	0	115.1	L786 Q940 Q941 S1014 F1018 H1019	L786-D1016 HydrophobicContact CD1-CB 4.04Å; L786-D1016 HydrophobicContact CD2-CB 3.69Å; Q940-D1016 HydrophobicContact CB-CB 3.95Å; Q940-D1016 HydrophobicContact CG-CB 3.78Å; Q941-D1016 VanDerWaalsContact CB-O 3.28Å; Q941-D1016 WeakPolarHBondContact CB-O 3.25Å; S1014-D1016 PolarHBondContact O-N 3.24Å; D1016-F1018 PolarHBondContact O-N 3.02Å; D1016-F1018 VanDerWaalsContact O-N 3.14Å; D1016-F1018 PolarHBondContact OD1-N 3.13Å; D1016-H1019 PolarHBondContact OD1-N 3.29Å; D1016-H1019 IonicContact OD1-ND1 3.55Å; D1016-H1019 IonicContact OD2-CE1 2.71Å; D1016-H1019 IonicContact OD2-CG 2.75Å; D1016-H1019 IonicContact OD2-ND1 3.24Å; D1016-H1019 PolarHBondContact OD2-ND1 3.29Å
1017	C	87.3	Confident	86.6	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.113	C	C	.	.	S	Bend	trans	55.4	23.7	-174.3	-72.2	0	0	0	0	114.3	V930 C937 Q941 S1014	V930-C1017 HydrophobicContact CB-CB 4.46Å; V930-C1017 HydrophobicContact CG1-CB 3.61Å; C937-C1017 HydrophobicContact CB-CB 3.56Å; C937-C1017 WeakPolarHBondContact CB-SG 3.35Å; C937-C1017 WeakPolarHBondContact SG-CB 3.42Å; C937-C1017 CovalentContact SG-SG 2.01Å; C937-C1017 PolarHBondContact SG-SG 3.3Å; Q941-C1017 HydrophobicContact CG-CB 4.49Å; Q941-C1017 PolarHBondContact NE2-O 3.03Å; S1014-C1017 PolarHBondContact O-N 2.92Å
1018	F	88.5	Confident	88.5	Confident	17 Å²	17	14.8 Å²	14.8	8%	0.075	8%	0.084	C	C	.	.	S	Bend	trans	-130.2	-56.5	180	176.2	-106.4	0	0	0	111.4	T878 F927 Q941 C945 D1016	T878-F1018 HydrophobicContact CG2-CZ 4.12Å; F927-F1018 HydrophobicContact CD1-CD2 4.14Å; F927-F1018 HydrophobicContact CD2-CD2 4.49Å; F927-F1018 HydrophobicContact CD2-CE2 4.26Å; F927-F1018 HydrophobicContact CE1-CD2 4.17Å; F927-F1018 HydrophobicContact CE1-CE2 4.49Å; F927-F1018 WeakPolarHBondContact CE1-O 3.38Å; F927-F1018 HydrophobicContact CE2-CE2 4.13Å; F927-F1018 HydrophobicContact CG-CD2 4.3Å; F927-F1018 HydrophobicContact CZ-CD2 4.39Å; F927-F1018 HydrophobicContact CZ-CE2 4.25Å; Q941-F1018 HydrophobicContact CG-CB 4.07Å; C945-F1018 HydrophobicContact CB-CD2 3.95Å; C945-F1018 HydrophobicContact CB-CE2 3.51Å; C945-F1018 HydrophobicContact CB-CZ 4.03Å; D1016-F1018 PolarHBondContact O-N 3.02Å; D1016-F1018 VanDerWaalsContact O-N 3.14Å; D1016-F1018 PolarHBondContact OD1-N 3.13Å
1019	H	91.8	Very high	89.9	Confident	18 Å²	18	13.9 Å²	13.9	8%	0.083	8%	0.078	C	C	.	.	S	Bend	trans	-67.1	144.8	174.1	-70.5	93.2	0	0	0	110.1	S771 F1013 S1014 D1016	S771-H1019 WeakPolarHBondContact CB-NE2 3.41Å; S771-H1019 PolarHBondContact OG-NE2 2.78Å; F1013-H1019 CarbonylContact C-O 3.47Å; F1013-H1019 WeakPolarHBondContact CA-O 3.34Å; S1014-H1019 WeakPolarHBondContact CB-O 3.46Å; S1014-H1019 PolarHBondContact N-O 3.35Å; D1016-H1019 PolarHBondContact OD1-N 3.29Å; D1016-H1019 IonicContact OD1-ND1 3.55Å; D1016-H1019 IonicContact OD2-CE1 2.71Å; D1016-H1019 IonicContact OD2-CG 2.75Å; D1016-H1019 IonicContact OD2-ND1 3.24Å; D1016-H1019 PolarHBondContact OD2-ND1 3.29Å
1020	L	91.8	Very high	90.9	Very high	10 Å²	10	12.8 Å²	12.8	5%	0.052	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-81.1	140.5	-179.6	-67.7	-174.4	0	0	0	110.9	L772 A778 F995 F1013 A1024 M1028	L772-L1020 HydrophobicContact CD2-CB 3.92Å; L772-L1020 HydrophobicContact CD2-CD1 3.46Å; L772-L1020 VanDerWaalsContact CD2-CD1 3.46Å; L772-L1020 HydrophobicContact CD2-CG 3.6Å; A778-L1020 WeakPolarHBondContact CA-O 3.33Å; F995-L1020 HydrophobicContact CZ-CD1 4.14Å; F1013-L1020 HydrophobicContact CD1-CD2 3.85Å; F1013-L1020 HydrophobicContact CE1-CD2 3.72Å; L1020-A1024 HydrophobicContact CB-CB 3.81Å; L1020-A1024 HydrophobicContact CD1-CB 4.23Å; L1020-A1024 HydrophobicContact CD2-CB 4.08Å; L1020-A1024 HydrophobicContact CG-CB 4.25Å; L1020-M1028 HydrophobicContact CD1-SD 3.43Å; L1020-M1028 WeakPolarHBondContact CD1-SD 3.44Å
1021	S	93.1	Very high	91.5	Very high	13 Å²	13	11.6 Å²	11.6	9%	0.091	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-75.2	170.1	177	67.1	0	0	0	0	112.3	A778 S1011 F1012 R1023 A1024 H1025	A778-S1021 CarbonylContact O-C 3.57Å; A778-S1021 WeakPolarHBondContact O-CA 3.01Å; S1011-S1021 PolarHBondContact O-OG 2.61Å; F1012-S1021 WeakPolarHBondContact CA-OG 3.2Å; F1012-S1021 WeakPolarHBondContact O-CB 3.46Å; F1012-S1021 PolarHBondContact O-N 3.16Å; F1012-S1021 PolarHBondContact O-OG 3.05Å; S1021-R1023 PolarHBondContact O-N 3.29Å; S1021-R1023 WeakPolarHBondContact OG-CB 3.29Å; S1021-R1023 PolarHBondContact OG-N 3.34Å; S1021-A1024 PolarHBondContact O-N 2.83Å; S1021-A1024 PolarHBondContact OG-N 2.94Å; S1021-H1025 PolarHBondContact O-CD2 2.77Å; S1021-H1025 VanDerWaalsContact O-CD2 3.24Å; S1021-H1025 PolarHBondContact O-N 3.36Å
1022	E	94.3	Very high	92.2	Very high	33 Å²	33	9.1 Å²	9.1	15%	0.154	5%	0.049	C	C	.	.	H	α-helix	trans	-55.4	-34.7	172.2	-174	175.3	-168.7	0	0	111.5	A778 K779 V793 H1025 A1026	A778-E1022 PolarHBondContact O-N 2.99Å; K779-E1022 WeakPolarHBondContact CD-OE2 3.5Å; K779-E1022 VanDerWaalsContact CE-CD 3.42Å; K779-E1022 WeakPolarHBondContact CE-OE1 2.92Å; K779-E1022 WeakPolarHBondContact CE-OE2 3.39Å; K779-E1022 HydrophobicContact CG-CB 4.39Å; K779-E1022 IonicContact NZ-OE1 3.41Å; K779-E1022 PolarHBondContact NZ-OE1 3Å; K779-E1022 IonicContact NZ-OE2 2.96Å; K779-E1022 PolarHBondContact NZ-OE2 2.04Å; V793-E1022 HydrophobicContact CB-CG 4.33Å; V793-E1022 HydrophobicContact CG2-CG 4.41Å; E1022-H1025 PolarHBondContact O-N 2.67Å; E1022-A1026 PolarHBondContact O-N 3.19Å
1023	R	91.6	Very high	92.7	Very high	33 Å²	33	9 Å²	9	13%	0.125	5%	0.049	C	C	.	.	H	α-helix	trans	-59.7	-51.4	173.9	-177.9	179.9	-170.5	-171	-8.1	111.6	W735 D1009 S1011 F1012 S1021 H1025 A1026 E1027	W735-R1023 HydrophobicContact CD2-CB 3.73Å; W735-R1023 HydrophobicContact CD2-CG 3.89Å; W735-R1023 HydrophobicContact CE3-CB 4.01Å; W735-R1023 HydrophobicContact CE3-CG 3.61Å; W735-R1023 HydrophobicContact CG-CB 4.27Å; W735-R1023 HydrophobicContact CH2-CB 4.1Å; W735-R1023 HydrophobicContact CH2-CG 3.73Å; W735-R1023 HydrophobicContact CZ2-CB 3.81Å; W735-R1023 HydrophobicContact CZ2-CG 3.99Å; W735-R1023 HydrophobicContact CZ3-CB 4.18Å; W735-R1023 HydrophobicContact CZ3-CG 3.52Å; D1009-R1023 IonicContact OD1-NH1 2.8Å; D1009-R1023 IonicContact OD2-CZ 3.23Å; D1009-R1023 IonicContact OD2-NH1 3.01Å; D1009-R1023 PolarHBondContact OD2-NH1 3.13Å; D1009-R1023 IonicContact OD2-NH2 3.78Å; S1011-R1023 PolarHBondContact OG-NH1 3.22Å; F1012-R1023 HydrophobicContact CD1-CG 3.93Å; F1012-R1023 HydrophobicContact CE1-CG 3.65Å; F1012-R1023 HydrophobicContact CZ-CG 4.22Å; F1012-R1023 VanDerWaalsContact CZ-NH2 3.26Å; S1021-R1023 PolarHBondContact O-N 3.29Å; S1021-R1023 WeakPolarHBondContact OG-CB 3.29Å; S1021-R1023 PolarHBondContact OG-N 3.34Å; R1023-H1025 VanDerWaalsContact C-N 3.34Å; R1023-A1026 WeakPolarHBondContact O-CB 3.44Å; R1023-A1026 PolarHBondContact O-N 2.87Å; R1023-E1027 PolarHBondContact O-N 2.88Å
1024	A	91.3	Very high	93	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-37.2	179.8	0	0	0	0	0	111.8	F1012 L1020 S1021 A1026 E1027 M1028 F1049	F1012-A1024 HydrophobicContact CB-CB 4.28Å; F1012-A1024 HydrophobicContact CD1-CB 4.03Å; F1012-A1024 VanDerWaalsContact O-CB 3.26Å; F1012-A1024 WeakPolarHBondContact O-CB 3.32Å; L1020-A1024 HydrophobicContact CB-CB 3.81Å; L1020-A1024 HydrophobicContact CD1-CB 4.23Å; L1020-A1024 HydrophobicContact CD2-CB 4.08Å; L1020-A1024 HydrophobicContact CG-CB 4.25Å; S1021-A1024 PolarHBondContact O-N 2.83Å; S1021-A1024 PolarHBondContact OG-N 2.94Å; A1024-A1026 VanDerWaalsContact C-N 3.32Å; A1024-A1026 PolarHBondContact O-N 2.68Å; A1024-E1027 PolarHBondContact O-N 3.21Å; A1024-M1028 VanDerWaalsContact O-CG 3.31Å; A1024-M1028 WeakPolarHBondContact O-CG 3.41Å; A1024-M1028 PolarHBondContact O-N 2.03Å; A1024-F1049 HydrophobicContact CB-CE1 4.14Å
1025	H	95.4	Very high	93.2	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-59.1	-41.6	173.2	-86.2	-118.2	0	0	0	112.4	L772 V793 W795 S1021 E1022 R1023 M1028 A1029	L772-H1025 PolarHBondContact O-CE1 3.3Å; V793-H1025 PolarHBondContact O-ND1 3.44Å; W795-H1025 HydrophobicContact CB-CB 4.06Å; W795-H1025 WeakPolarHBondContact CB-O 3.45Å; W795-H1025 AromaticContact CD1-CE1 3.77Å; W795-H1025 AromaticContact CD1-ND1 3.69Å; W795-H1025 PolarHBondContact N-ND1 3.03Å; S1021-H1025 PolarHBondContact O-CD2 2.77Å; S1021-H1025 VanDerWaalsContact O-CD2 3.24Å; S1021-H1025 PolarHBondContact O-N 3.36Å; E1022-H1025 PolarHBondContact O-N 2.67Å; R1023-H1025 VanDerWaalsContact C-N 3.34Å; H1025-M1028 PolarHBondContact O-N 3.24Å; H1025-A1029 PolarHBondContact O-N 2.63Å
1026	A	95.4	Very high	93.7	Very high	3 Å²	3	7.8 Å²	7.8	3%	0.025	4%	0.04	C	C	.	.	H	α-helix	trans	-60.5	-48	175.7	0	0	0	0	0	111.9	W735 T807 E1022 R1023 A1024 M1028 A1029 I1030	W735-A1026 HydrophobicContact CB-CB 3.87Å; W735-A1026 WeakPolarHBondContact O-CB 3.41Å; T807-A1026 WeakPolarHBondContact O-CA 3.48Å; E1022-A1026 PolarHBondContact O-N 3.19Å; R1023-A1026 WeakPolarHBondContact O-CB 3.44Å; R1023-A1026 PolarHBondContact O-N 2.87Å; A1024-A1026 VanDerWaalsContact C-N 3.32Å; A1024-A1026 PolarHBondContact O-N 2.68Å; A1026-M1028 VanDerWaalsContact C-N 3.33Å; A1026-M1028 PolarHBondContact O-N 3.24Å; A1026-A1029 WeakPolarHBondContact O-CB 3.29Å; A1026-A1029 PolarHBondContact O-N 3.28Å; A1026-I1030 WeakPolarHBondContact O-CG1 3.05Å; A1026-I1030 PolarHBondContact O-N 3.26Å; A1026-I1030 VanDerWaalsContact O-N 3.16Å
1027	E	93.1	Very high	94.1	Very high	2 Å²	2	9 Å²	9	1%	0.009	5%	0.046	C	C	.	.	H	α-helix	trans	-65.9	-34.6	178	-59.4	-57.5	141.4	0	0	112	F1012 R1023 A1024 A1029 I1030 G1031 N1047 F1049 H1051 K1055	F1012-E1027 HydrophobicContact CE1-CG 4.4Å; R1023-E1027 PolarHBondContact O-N 2.88Å; A1024-E1027 PolarHBondContact O-N 3.21Å; E1027-A1029 VanDerWaalsContact C-N 3.34Å; E1027-I1030 PolarHBondContact O-N 3.47Å; E1027-G1031 PolarHBondContact O-N 3.35Å; E1027-N1047 PolarHBondContact O-ND2 3.47Å; E1027-N1047 PolarHBondContact O-OD1 2.81Å; E1027-F1049 HydrophobicContact CB-CD1 3.71Å; E1027-F1049 HydrophobicContact CB-CE1 4.11Å; E1027-F1049 HydrophobicContact CB-CG 4.47Å; E1027-F1049 HydrophobicContact CG-CD1 4.2Å; E1027-H1051 IonicContact OE1-ND1 3.84Å; E1027-K1055 IonicContact OE2-NZ 2.89Å; E1027-K1055 PolarHBondContact OE2-NZ 3.03Å
1028	M	94.8	Very high	94.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65	-37.2	173.9	-73.1	177.2	76.5	0	0	112.6	W795 F994 F995 L1020 A1024 H1025 A1026 G1031 L1032 N1047 F1049	W795-M1028 HydrophobicContact CB-CB 3.85Å; W795-M1028 HydrophobicContact CD2-CB 3.96Å; W795-M1028 HydrophobicContact CD2-CE 3.86Å; W795-M1028 HydrophobicContact CE3-CB 3.96Å; W795-M1028 HydrophobicContact CE3-CE 4.39Å; W795-M1028 HydrophobicContact CG-CB 3.91Å; W795-M1028 HydrophobicContact CG-CE 4.19Å; W795-M1028 HydrophobicContact CG-SD 4.3Å; W795-M1028 HydrophobicContact CH2-CE 4.4Å; W795-M1028 HydrophobicContact CZ2-CE 3.89Å; F994-M1028 HydrophobicContact CE2-CB 4.33Å; F994-M1028 WeakPolarHBondContact CE2-O 3.37Å; F995-M1028 HydrophobicContact CD1-CE 4.21Å; F995-M1028 HydrophobicContact CD2-CE 4.38Å; F995-M1028 HydrophobicContact CE1-CE 3.84Å; F995-M1028 HydrophobicContact CE2-CE 4.12Å; F995-M1028 HydrophobicContact CE2-CG 4.4Å; F995-M1028 HydrophobicContact CE2-SD 4.32Å; F995-M1028 HydrophobicContact CG-CE 4.47Å; F995-M1028 HydrophobicContact CZ-CE 3.83Å; F995-M1028 HydrophobicContact CZ-SD 4.22Å; L1020-M1028 HydrophobicContact CD1-SD 3.43Å; L1020-M1028 WeakPolarHBondContact CD1-SD 3.44Å; A1024-M1028 VanDerWaalsContact O-CG 3.31Å; A1024-M1028 WeakPolarHBondContact O-CG 3.41Å; A1024-M1028 PolarHBondContact O-N 2.03Å; H1025-M1028 PolarHBondContact O-N 3.24Å; A1026-M1028 VanDerWaalsContact C-N 3.33Å; A1026-M1028 PolarHBondContact O-N 3.24Å; M1028-G1031 PolarHBondContact O-N 2.77Å; M1028-L1032 WeakPolarHBondContact O-CB 2.99Å; M1028-L1032 PolarHBondContact O-N 2.93Å; M1028-N1047 WeakPolarHBondContact CA-ND2 3.33Å; M1028-N1047 PolarHBondContact N-ND2 3.49Å; M1028-F1049 HydrophobicContact CG-CE1 4.21Å; M1028-F1049 HydrophobicContact CG-CZ 4.24Å
1029	A	97.6	Very high	94.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.5	-40.5	176.6	0	0	0	0	0	112	W795 T807 T808 H1025 A1026 E1027 W1033	W795-A1029 HydrophobicContact CB-CB 4.29Å; W795-A1029 WeakPolarHBondContact O-CB 3.33Å; T807-A1029 HydrophobicContact CG2-CB 4.2Å; T808-A1029 VanDerWaalsContact CA-CB 3.48Å; H1025-A1029 PolarHBondContact O-N 2.63Å; A1026-A1029 WeakPolarHBondContact O-CB 3.29Å; A1026-A1029 PolarHBondContact O-N 3.28Å; E1027-A1029 VanDerWaalsContact C-N 3.34Å; A1029-W1033 WeakPolarHBondContact O-CB 3.39Å; A1029-W1033 PolarHBondContact O-N 3.09Å
1030	I	96.1	Very high	94.2	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-48.1	173.8	-62.7	168.4	0	0	0	110.1	T807 A1026 E1027 L1032 W1033 N1034 K1055 I1056	T807-I1030 HydrophobicContact CG2-CD1 4.27Å; T807-I1030 HydrophobicContact CG2-CG1 3.72Å; A1026-I1030 WeakPolarHBondContact O-CG1 3.05Å; A1026-I1030 PolarHBondContact O-N 3.26Å; A1026-I1030 VanDerWaalsContact O-N 3.16Å; E1027-I1030 PolarHBondContact O-N 3.47Å; I1030-L1032 PolarHBondContact O-N 3.49Å; I1030-W1033 PolarHBondContact O-N 2.87Å; I1030-N1034 WeakPolarHBondContact O-CB 3.18Å; I1030-N1034 PolarHBondContact O-N 3.12Å; I1030-K1055 HydrophobicContact CD1-CB 4.38Å; I1030-K1055 HydrophobicContact CD1-CD 4.49Å; I1030-K1055 HydrophobicContact CG2-CB 3.75Å; I1030-I1056 HydrophobicContact CG1-CG1 4.26Å
1031	G	93.8	Very high	93.6	Very high	7 Å²	7	16.3 Å²	16.3	7%	0.072	11%	0.108	C	C	.	.	H	α-helix	trans	-55.6	-50.3	177.8	0	0	0	0	0	112.3	E1027 M1028 W1033 N1034 N1035	E1027-G1031 PolarHBondContact O-N 3.35Å; M1028-G1031 PolarHBondContact O-N 2.77Å; G1031-W1033 PolarHBondContact O-N 3.27Å; G1031-N1034 PolarHBondContact O-N 3.25Å; G1031-N1035 WeakPolarHBondContact O-CB 3.18Å; G1031-N1035 PolarHBondContact O-N 2.71Å
1032	L	97.6	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-46.5	176.6	176.8	56.6	0	0	0	112.5	W795 L809 T873 N917 V919 Q992 F994 M1028 I1030 N1035 M1036	W795-L1032 HydrophobicContact CE3-CB 4.35Å; W795-L1032 HydrophobicContact CE3-CD2 4.09Å; W795-L1032 HydrophobicContact CH2-CD2 4.26Å; W795-L1032 HydrophobicContact CZ3-CB 3.88Å; W795-L1032 HydrophobicContact CZ3-CD2 3.44Å; W795-L1032 VanDerWaalsContact CZ3-CD2 3.44Å; W795-L1032 HydrophobicContact CZ3-CG 4.18Å; L809-L1032 HydrophobicContact CD2-CD2 3.65Å; L809-L1032 HydrophobicContact CD2-CG 4.36Å; T873-L1032 HydrophobicContact CG2-CD2 3.86Å; N917-L1032 HydrophobicContact CB-CD1 4.28Å; V919-L1032 HydrophobicContact CG2-CD1 4.2Å; Q992-L1032 HydrophobicContact CB-CD1 3.8Å; Q992-L1032 HydrophobicContact CG-CD1 3.59Å; F994-L1032 HydrophobicContact CD1-CB 4.31Å; F994-L1032 HydrophobicContact CE1-CB 3.65Å; F994-L1032 HydrophobicContact CE1-CD1 3.99Å; F994-L1032 HydrophobicContact CE1-CG 4.37Å; F994-L1032 HydrophobicContact CZ-CB 3.85Å; M1028-L1032 WeakPolarHBondContact O-CB 2.99Å; M1028-L1032 PolarHBondContact O-N 2.93Å; I1030-L1032 PolarHBondContact O-N 3.49Å; L1032-N1035 PolarHBondContact O-N 2.75Å; L1032-M1036 HydrophobicContact CD1-CG 4.33Å; L1032-M1036 HydrophobicContact CD1-SD 4.46Å; L1032-M1036 HydrophobicContact CG-SD 4.35Å; L1032-M1036 WeakPolarHBondContact O-CG 3.5Å; L1032-M1036 PolarHBondContact O-N 3.09Å
1033	W	97.7	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-49.8	179.7	170	-100.8	0	0	0	112	P759 L809 I812 L813 F816 A1029 I1030 G1031 N1035 M1036 L1037 H1057	P759-W1033 HydrophobicContact CB-CH2 3.64Å; P759-W1033 HydrophobicContact CB-CZ3 4.12Å; P759-W1033 HydrophobicContact CG-CH2 3.62Å; P759-W1033 HydrophobicContact CG-CZ2 4.5Å; P759-W1033 HydrophobicContact CG-CZ3 4.28Å; L809-W1033 HydrophobicContact CD1-CB 4.47Å; L809-W1033 HydrophobicContact CD1-CE3 3.95Å; I812-W1033 HydrophobicContact CB-CD2 4.47Å; I812-W1033 HydrophobicContact CD1-CB 3.73Å; I812-W1033 HydrophobicContact CD1-CG 3.92Å; I812-W1033 HydrophobicContact CG2-CD2 3.49Å; I812-W1033 VanDerWaalsContact CG2-CD2 3.49Å; I812-W1033 HydrophobicContact CG2-CE3 3.74Å; I812-W1033 HydrophobicContact CG2-CG 3.92Å; I812-W1033 HydrophobicContact CG2-CH2 4.15Å; I812-W1033 HydrophobicContact CG2-CZ2 3.94Å; I812-W1033 HydrophobicContact CG2-CZ3 4.07Å; L813-W1033 HydrophobicContact CD2-CZ3 3.73Å; L813-W1033 HydrophobicContact CG-CZ3 4.3Å; F816-W1033 AromaticContact CD2-CH2 3.88Å; F816-W1033 HydrophobicContact CD2-CH2 3.88Å; F816-W1033 HydrophobicContact CD2-CZ2 4.4Å; F816-W1033 AromaticContact CE2-CH2 3.28Å; F816-W1033 HydrophobicContact CE2-CH2 3.28Å; F816-W1033 AromaticContact CE2-CZ2 3.4Å; F816-W1033 HydrophobicContact CE2-CZ2 3.4Å; F816-W1033 HydrophobicContact CE2-CZ3 4.38Å; F816-W1033 AromaticContact CZ-CH2 3.79Å; F816-W1033 HydrophobicContact CZ-CH2 3.79Å; F816-W1033 AromaticContact CZ-CZ2 3.66Å; F816-W1033 HydrophobicContact CZ-CZ2 3.66Å; A1029-W1033 WeakPolarHBondContact O-CB 3.39Å; A1029-W1033 PolarHBondContact O-N 3.09Å; I1030-W1033 PolarHBondContact O-N 2.87Å; G1031-W1033 PolarHBondContact O-N 3.27Å; W1033-N1035 VanDerWaalsContact C-N 3.28Å; W1033-N1035 PolarHBondContact O-N 3.27Å; W1033-M1036 WeakPolarHBondContact O-CB 3.47Å; W1033-M1036 PolarHBondContact O-N 2.69Å; W1033-L1037 HydrophobicContact CZ2-CD1 3.91Å; W1033-L1037 PolarHBondContact O-N 3.05Å; W1033-H1057 PolarHBondContact NE1-O 2.87Å
1034	N	95.8	Very high	92.3	Very high	21 Å²	21	25.6 Å²	25.6	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-39.9	-180	-71.5	-3	0	0	0	110.7	I1030 G1031 M1036 L1037 E1038 K1055 H1057	I1030-N1034 WeakPolarHBondContact O-CB 3.18Å; I1030-N1034 PolarHBondContact O-N 3.12Å; G1031-N1034 PolarHBondContact O-N 3.25Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.28Å; N1034-L1037 CarbonylContact O-C 3.31Å; N1034-L1037 WeakPolarHBondContact O-CA 3.33Å; N1034-L1037 WeakPolarHBondContact O-CB 3.38Å; N1034-L1037 PolarHBondContact O-N 2.91Å; N1034-E1038 PolarHBondContact O-N 3.38Å; N1034-K1055 PolarHBondContact ND2-O 3.07Å; N1034-H1057 WeakPolarHBondContact OD1-CB 3.41Å; N1034-H1057 PolarHBondContact OD1-N 3.06Å
1035	N	95.8	Very high	91.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-31.8	178.9	-150.9	-144.6	0	0	0	112.8	Q992 P993 F994 G1031 L1032 W1033 L1037 E1038 K1043 Q1044	Q992-N1035 WeakPolarHBondContact CA-OD1 3.31Å; Q992-N1035 WeakPolarHBondContact CB-OD1 3.33Å; Q992-N1035 VanDerWaalsContact OE1-C 3.28Å; Q992-N1035 PolarHBondContact OE1-O 3.19Å; Q992-N1035 PolarHBondContact OE1-OD1 2.94Å; Q992-N1035 VanDerWaalsContact OE1-OD1 3.13Å; P993-N1035 WeakPolarHBondContact CD-OD1 3.32Å; P993-N1035 VanDerWaalsContact N-OD1 3.08Å; F994-N1035 HydrophobicContact CB-CB 4.11Å; F994-N1035 HydrophobicContact CD1-CB 4.37Å; F994-N1035 PolarHBondContact N-OD1 2.83Å; G1031-N1035 WeakPolarHBondContact O-CB 3.18Å; G1031-N1035 PolarHBondContact O-N 2.71Å; L1032-N1035 PolarHBondContact O-N 2.75Å; W1033-N1035 VanDerWaalsContact C-N 3.28Å; W1033-N1035 PolarHBondContact O-N 3.27Å; N1035-L1037 PolarHBondContact O-N 3.36Å; N1035-E1038 PolarHBondContact ND2-OE2 2.82Å; N1035-E1038 PolarHBondContact O-N 2.76Å; N1035-K1043 WeakPolarHBondContact ND2-CB 3.49Å; N1035-K1043 PolarHBondContact O-NZ 3.2Å; N1035-Q1044 PolarHBondContact ND2-N 3.11Å; N1035-Q1044 PolarHBondContact ND2-O 3.45Å
1036	M	97.4	Very high	90.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-24.7	170.7	-72	171.2	62.7	0	0	113.1	L809 L871 N917 L1032 W1033 N1034 I1066 F1067	L809-M1036 HydrophobicContact CD1-SD 4.03Å; L809-M1036 HydrophobicContact CD2-SD 4.45Å; L871-M1036 HydrophobicContact CD1-CE 4.15Å; L871-M1036 HydrophobicContact CD2-CE 3.67Å; L871-M1036 HydrophobicContact CD2-SD 4.28Å; N917-M1036 PolarHBondContact ND2-SD 3.31Å; L1032-M1036 HydrophobicContact CD1-CG 4.33Å; L1032-M1036 HydrophobicContact CD1-SD 4.46Å; L1032-M1036 HydrophobicContact CG-SD 4.35Å; L1032-M1036 WeakPolarHBondContact O-CG 3.5Å; L1032-M1036 PolarHBondContact O-N 3.09Å; W1033-M1036 WeakPolarHBondContact O-CB 3.47Å; W1033-M1036 PolarHBondContact O-N 2.69Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.28Å; M1036-I1066 HydrophobicContact CB-CG2 4.09Å; M1036-I1066 HydrophobicContact CE-CD1 3.74Å; M1036-I1066 HydrophobicContact CE-CG1 4.22Å; M1036-I1066 HydrophobicContact CE-CG2 3.97Å; M1036-F1067 PolarHBondContact O-N 3.17Å
1037	L	95.3	Very high	89.8	Confident	24 Å²	24	28.9 Å²	28.9	13%	0.126	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8	179.3	-57.3	-176.7	0	0	0	113.5	W1033 N1034 N1035 H1057 P1059 F1067	W1033-L1037 HydrophobicContact CZ2-CD1 3.91Å; W1033-L1037 PolarHBondContact O-N 3.05Å; N1034-L1037 CarbonylContact O-C 3.31Å; N1034-L1037 WeakPolarHBondContact O-CA 3.33Å; N1034-L1037 WeakPolarHBondContact O-CB 3.38Å; N1034-L1037 PolarHBondContact O-N 2.91Å; N1035-L1037 PolarHBondContact O-N 3.36Å; L1037-H1057 HydrophobicContact CD1-CB 4.23Å; L1037-P1059 HydrophobicContact CD1-CG 4.2Å; L1037-P1059 HydrophobicContact CD2-CG 4.04Å; L1037-F1067 VanDerWaalsContact O-CD2 3.25Å; L1037-F1067 WeakPolarHBondContact O-CD2 3.25Å; L1037-F1067 WeakPolarHBondContact O-CE2 3.17Å
1038	E	92.1	Very high	88.8	Confident	31 Å²	31	31.5 Å²	31.5	15%	0.145	18%	0.176	C	C	.	.	S	Bend	trans	-106.5	138	176.2	-70.2	165.5	171	0	0	111.3	N1034 N1035 K1043 Q1044 F1067	N1034-E1038 PolarHBondContact O-N 3.38Å; N1035-E1038 PolarHBondContact ND2-OE2 2.82Å; N1035-E1038 PolarHBondContact O-N 2.76Å; E1038-K1043 HydrophobicContact CB-CG 4.07Å; E1038-K1043 PolarHBondContact O-NZ 2.87Å; E1038-K1043 WeakPolarHBondContact OE2-CA 3.41Å; E1038-Q1044 PolarHBondContact OE2-N 3.29Å; E1038-F1067 VanDerWaalsContact C-CD2 3.49Å; E1038-F1067 WeakPolarHBondContact O-CB 3.43Å
1039	P	91.3	Very high	87.8	Confident	29 Å²	29	32.2 Å²	32.2	19%	0.188	18%	0.179	C	C	.	.			trans	-56.3	140.2	175.2	-22.8	31.4	0	0	0	112.7	G1041 R1042 K1043 F1067	P1039-G1041 PolarHBondContact O-N 3.29Å; P1039-R1042 HydrophobicContact CB-CB 4.39Å; P1039-R1042 CarbonylContact O-C 3.44Å; P1039-R1042 WeakPolarHBondContact O-CA 3.36Å; P1039-R1042 PolarHBondContact O-N 2.78Å; P1039-K1043 WeakPolarHBondContact O-CG 3.33Å; P1039-K1043 PolarHBondContact O-N 3.02Å; P1039-F1067 HydrophobicContact CB-CD1 4.12Å; P1039-F1067 HydrophobicContact CB-CE1 4.19Å; P1039-F1067 HydrophobicContact CB-CG 4.49Å; P1039-F1067 HydrophobicContact CG-CD1 4.16Å; P1039-F1067 HydrophobicContact CG-CD2 4.46Å; P1039-F1067 HydrophobicContact CG-CE1 3.82Å; P1039-F1067 HydrophobicContact CG-CE2 4.13Å; P1039-F1067 HydrophobicContact CG-CG 4.46Å; P1039-F1067 HydrophobicContact CG-CZ 3.8Å
1040	V	86.4	Confident	86.7	Confident	59 Å²	59	34.8 Å²	34.8	36%	0.358	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131.8	171.3	177.5	0	0	0	0	109.5	V990 R1042 S1072	V990-V1040 HydrophobicContact CG1-CG2 4.2Å; V1040-R1042 VanDerWaalsContact C-N 3.31Å; V1040-S1072 VanDerWaalsContact N-CB 3.28Å; V1040-S1072 PolarHBondContact N-OG 3.33Å
1041	G	79.3	Confident	85.7	Confident	81 Å²	81	36.8 Å²	36.8	84%	0.835	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-11	-171.8	0	0	0	0	0	114.6	P1039	P1039-G1041 PolarHBondContact O-N 3.29Å
1042	R	82.6	Confident	85.1	Confident	184 Å²	184	40.2 Å²	40.2	69%	0.694	22%	0.221	S	C	*	.	S	Bend	trans	-122.9	10.8	173.5	-58.6	-172.8	-175.3	-179.8	4.4	113.3	P1039 V1040	P1039-R1042 HydrophobicContact CB-CB 4.39Å; P1039-R1042 CarbonylContact O-C 3.44Å; P1039-R1042 WeakPolarHBondContact O-CA 3.36Å; P1039-R1042 PolarHBondContact O-N 2.78Å; V1040-R1042 VanDerWaalsContact C-N 3.31Å
1043	K	86.4	Confident	84.6	Confident	27 Å²	27	43.2 Å²	43.2	12%	0.117	23%	0.232	C	C	.	.			trans	-66.3	134.7	179.7	-71.2	-168.1	-174.9	-64	0	111.1	V990 L991 P993 N1035 E1038 P1039 A1045	V990-K1043 VanDerWaalsContact CG1-CE 3.4Å; L991-K1043 WeakPolarHBondContact O-CD 3.47Å; L991-K1043 WeakPolarHBondContact O-CE 3.48Å; P993-K1043 HydrophobicContact CG-CB 3.74Å; N1035-K1043 WeakPolarHBondContact ND2-CB 3.49Å; N1035-K1043 PolarHBondContact O-NZ 3.2Å; E1038-K1043 HydrophobicContact CB-CG 4.07Å; E1038-K1043 PolarHBondContact O-NZ 2.87Å; E1038-K1043 WeakPolarHBondContact OE2-CA 3.41Å; P1039-K1043 WeakPolarHBondContact O-CG 3.33Å; P1039-K1043 PolarHBondContact O-N 3.02Å; K1043-A1045 PolarHBondContact O-N 3.08Å
1044	Q	83.3	Confident	84.2	Confident	63 Å²	63	46.2 Å²	46.2	29%	0.294	26%	0.256	S	S	.	.			trans	-63.1	130.6	171.5	-172.8	174.9	-61.3	0	0	110.1	P993 F994 N1035 E1038 Y1046	P993-Q1044 CarbonylContact C-O 3.59Å; F994-Q1044 VanDerWaalsContact CA-O 3.31Å; F994-Q1044 WeakPolarHBondContact CA-O 3.26Å; F994-Q1044 PolarHBondContact N-O 3.07Å; N1035-Q1044 PolarHBondContact ND2-N 3.11Å; N1035-Q1044 PolarHBondContact ND2-O 3.45Å; E1038-Q1044 PolarHBondContact OE2-N 3.29Å; Q1044-Y1046 VanDerWaalsContact CD-CZ 3.47Å; Q1044-Y1046 HydrophobicContact CG-CD1 3.46Å; Q1044-Y1046 VanDerWaalsContact CG-CD1 3.46Å; Q1044-Y1046 HydrophobicContact CG-CD2 4.28Å; Q1044-Y1046 HydrophobicContact CG-CE1 3.39Å; Q1044-Y1046 HydrophobicContact CG-CE2 4.27Å; Q1044-Y1046 HydrophobicContact CG-CG 3.92Å; Q1044-Y1046 VanDerWaalsContact NE2-CD2 3.32Å; Q1044-Y1046 PolarHBondContact NE2-O 3.36Å
1045	A	81	Confident	83.9	Confident	27 Å²	27	46.6 Å²	46.6	22%	0.223	26%	0.257	C	S	.	.			trans	-96.7	17.7	-177.5	0	0	0	0	0	114	P993 H996 Y997 K1043	P993-A1045 HydrophobicContact CB-CB 4.13Å; P993-A1045 CarbonylContact O-C 3.55Å; P993-A1045 WeakPolarHBondContact O-CA 3.41Å; P993-A1045 VanDerWaalsContact O-O 3.07Å; H996-A1045 HydrophobicContact CB-CB 4.37Å; H996-A1045 WeakPolarHBondContact CB-O 3.41Å; Y997-A1045 HydrophobicContact CD2-CB 3.86Å; Y997-A1045 WeakPolarHBondContact CD2-O 3.49Å; Y997-A1045 HydrophobicContact CE2-CB 3.99Å; Y997-A1045 PolarHBondContact N-O 2.88Å; K1043-A1045 PolarHBondContact O-N 3.08Å
1046	Y	75.8	Confident	83.8	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.153	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-149.2	165.1	-176.3	69.3	-94.4	0	0	0	112.9	S533 L534 F994 Y997 Q1044	S533-Y1046 WeakPolarHBondContact OG-CE1 3.45Å; L534-Y1046 HydrophobicContact CD1-CD2 4.06Å; L534-Y1046 HydrophobicContact CD1-CG 3.76Å; L534-Y1046 HydrophobicContact CD2-CD2 3.12Å; L534-Y1046 HydrophobicContact CD2-CE2 3.52Å; L534-Y1046 HydrophobicContact CD2-CG 3.71Å; L534-Y1046 HydrophobicContact CG-CD1 3.98Å; L534-Y1046 HydrophobicContact CG-CD2 3.41Å; L534-Y1046 VanDerWaalsContact CG-CD2 3.41Å; L534-Y1046 HydrophobicContact CG-CE2 3.98Å; L534-Y1046 HydrophobicContact CG-CG 3.38Å; F994-Y1046 CarbonylContact O-C 3.32Å; F994-Y1046 WeakPolarHBondContact O-CA 3.37Å; Y997-Y1046 WeakPolarHBondContact O-CB 3.19Å; Q1044-Y1046 VanDerWaalsContact CD-CZ 3.47Å; Q1044-Y1046 HydrophobicContact CG-CD1 3.46Å; Q1044-Y1046 VanDerWaalsContact CG-CD1 3.46Å; Q1044-Y1046 HydrophobicContact CG-CD2 4.28Å; Q1044-Y1046 HydrophobicContact CG-CE1 3.39Å; Q1044-Y1046 HydrophobicContact CG-CE2 4.27Å; Q1044-Y1046 HydrophobicContact CG-CG 3.92Å; Q1044-Y1046 VanDerWaalsContact NE2-CD2 3.32Å; Q1044-Y1046 PolarHBondContact NE2-O 3.36Å
1047	N	73.1	Confident	83.5	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	28%	0.28	C	S	.	.			trans	-117.8	131.6	176.6	-160.9	11.1	0	0	0	110.9	F994 E1027 M1028 F1049	F994-N1047 HydrophobicContact CD2-CB 4.06Å; F994-N1047 WeakPolarHBondContact O-CB 3.47Å; F994-N1047 PolarHBondContact O-N 3.45Å; E1027-N1047 PolarHBondContact O-ND2 3.47Å; E1027-N1047 PolarHBondContact O-OD1 2.81Å; M1028-N1047 WeakPolarHBondContact CA-ND2 3.33Å; M1028-N1047 PolarHBondContact N-ND2 3.49Å; N1047-F1049 HydrophobicContact CB-CD2 4.16Å; N1047-F1049 HydrophobicContact CB-CE2 3.72Å; N1047-F1049 HydrophobicContact CB-CZ 4.17Å; N1047-F1049 PolarHBondContact O-N 2.57Å
1048	N	71.7	Confident	83.4	Confident	57 Å²	57	52.9 Å²	52.9	31%	0.305	29%	0.291	S	S	.	.			trans	-86.2	103.3	172.2	-178.6	-8.6	0	0	0	108.4	T1050 K1055	N1048-T1050 VanDerWaalsContact C-N 3.26Å; N1048-T1050 VanDerWaalsContact CG-OG1 3.23Å; N1048-T1050 PolarHBondContact ND2-OG1 3.26Å; N1048-T1050 PolarHBondContact O-N 3.07Å; N1048-T1050 WeakPolarHBondContact OD1-CB 3.47Å; N1048-T1050 VanDerWaalsContact OD1-CG2 3.28Å; N1048-T1050 WeakPolarHBondContact OD1-CG2 3.45Å; N1048-T1050 PolarHBondContact OD1-N 2.87Å; N1048-T1050 PolarHBondContact OD1-OG1 2.77Å; N1048-K1055 PolarHBondContact O-NZ 2.83Å
1049	F	74.3	Confident	83.3	Confident	16 Å²	16	52.1 Å²	52.1	7%	0.07	29%	0.289	C	S	.	.			trans	-79.9	6.8	-178.2	-78.2	-84	0	0	0	114.6	F995 P1001 F1012 A1024 E1027 M1028 N1047	F995-F1049 HydrophobicContact CD2-CZ 4.47Å; F995-F1049 HydrophobicContact CE2-CE2 4.48Å; F995-F1049 AromaticContact CE2-CZ 3.95Å; F995-F1049 HydrophobicContact CE2-CZ 3.95Å; P1001-F1049 HydrophobicContact CG-CB 3.37Å; P1001-F1049 HydrophobicContact CG-CG 4.33Å; F1012-F1049 HydrophobicContact CD1-CB 4.3Å; F1012-F1049 AromaticContact CD1-CD1 3.92Å; F1012-F1049 HydrophobicContact CD1-CD1 3.92Å; F1012-F1049 HydrophobicContact CE1-CB 3.83Å; F1012-F1049 HydrophobicContact CE1-CD1 4.04Å; F1012-F1049 HydrophobicContact CE1-CG 4.42Å; F1012-F1049 WeakPolarHBondContact CE1-O 3.21Å; F1012-F1049 HydrophobicContact CZ-CB 4.19Å; F1012-F1049 WeakPolarHBondContact CZ-O 3.28Å; A1024-F1049 HydrophobicContact CB-CE1 4.14Å; E1027-F1049 HydrophobicContact CB-CD1 3.71Å; E1027-F1049 HydrophobicContact CB-CE1 4.11Å; E1027-F1049 HydrophobicContact CB-CG 4.47Å; E1027-F1049 HydrophobicContact CG-CD1 4.2Å; M1028-F1049 HydrophobicContact CG-CE1 4.21Å; M1028-F1049 HydrophobicContact CG-CZ 4.24Å; N1047-F1049 HydrophobicContact CB-CD2 4.16Å; N1047-F1049 HydrophobicContact CB-CE2 3.72Å; N1047-F1049 HydrophobicContact CB-CZ 4.17Å; N1047-F1049 PolarHBondContact O-N 2.57Å
1050	T	73.3	Confident	83	Confident	54 Å²	54	53.6 Å²	53.6	33%	0.331	30%	0.3	S	S	.	.	S	Bend	trans	-59.3	146.6	172.4	51.3	0	0	0	0	111.1	N1048 D1052 K1055	N1048-T1050 VanDerWaalsContact C-N 3.26Å; N1048-T1050 VanDerWaalsContact CG-OG1 3.23Å; N1048-T1050 PolarHBondContact ND2-OG1 3.26Å; N1048-T1050 PolarHBondContact O-N 3.07Å; N1048-T1050 WeakPolarHBondContact OD1-CB 3.47Å; N1048-T1050 VanDerWaalsContact OD1-CG2 3.28Å; N1048-T1050 WeakPolarHBondContact OD1-CG2 3.45Å; N1048-T1050 PolarHBondContact OD1-N 2.87Å; N1048-T1050 PolarHBondContact OD1-OG1 2.77Å; T1050-D1052 PolarHBondContact O-N 2.85Å; T1050-K1055 WeakPolarHBondContact O-CE 3.48Å; T1050-K1055 PolarHBondContact O-NZ 3.4Å; T1050-K1055 VanDerWaalsContact OG1-CE 3.31Å; T1050-K1055 WeakPolarHBondContact OG1-CE 2.89Å; T1050-K1055 PolarHBondContact OG1-NZ 3.37Å
1051	H	75.9	Confident	82.9	Confident	45 Å²	45	59.1 Å²	59.1	21%	0.208	32%	0.321	C	S	.	.			trans	-86.6	112.9	174.1	-175.8	59.8	0	0	0	109.6	I732 W735 E1027	I732-H1051 HydrophobicContact CD1-CB 4.22Å; I732-H1051 VanDerWaalsContact CD1-CD2 3.46Å; I732-H1051 WeakPolarHBondContact CD1-CD2 3.44Å; W735-H1051 AromaticContact CE3-CE1 3.88Å; W735-H1051 AromaticContact CE3-ND1 3.72Å; W735-H1051 HydrophobicContact CZ3-CB 4.32Å; W735-H1051 AromaticContact CZ3-CG 3.95Å; E1027-H1051 IonicContact OE1-ND1 3.84Å
1052	D	80.4	Confident	83.1	Confident	80 Å²	80	59.6 Å²	59.6	43%	0.428	32%	0.318	S	S	.	.			trans	-141.6	126.1	169.7	174.1	10.7	0	0	0	109.1	T1050 A1054 K1055	T1050-D1052 PolarHBondContact O-N 2.85Å; D1052-A1054 PolarHBondContact O-N 3.24Å; D1052-A1054 PolarHBondContact OD1-N 2.71Å; D1052-K1055 HydrophobicContact CB-CD 4.11Å; D1052-K1055 HydrophobicContact CB-CG 3.83Å; D1052-K1055 WeakPolarHBondContact O-CG 3.19Å
1053	R	88.3	Confident	83.2	Confident	63 Å²	63	53 Å²	53	24%	0.238	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.5	-176.8	-62.4	-178	61.3	95.6	1.7	112	N734 G736 S737 D738 E804	N734-R1053 PolarHBondContact OD1-NH1 3.31Å; G736-R1053 PolarHBondContact O-NH1 3.16Å; S737-R1053 CarbonylContact C-O 3.51Å; S737-R1053 WeakPolarHBondContact CA-O 3Å; S737-R1053 WeakPolarHBondContact CB-O 3.45Å; D738-R1053 HydrophobicContact CB-CB 4.31Å; D738-R1053 PolarHBondContact N-O 2.9Å; D738-R1053 IonicContact OD1-CZ 3.46Å; D738-R1053 IonicContact OD1-NE 2.68Å; D738-R1053 PolarHBondContact OD1-NE 2.56Å; D738-R1053 IonicContact OD1-NH2 3.56Å; D738-R1053 PolarHBondContact OD1-NH2 3.3Å; D738-R1053 WeakPolarHBondContact OD2-CB 3.36Å; D738-R1053 IonicContact OD2-NE 2.87Å; E804-R1053 PolarHBondContact O-NH1 2.83Å; E804-R1053 PolarHBondContact O-NH2 3.44Å
1054	A	87.9	Confident	83.4	Confident	62 Å²	62	52.4 Å²	52.4	51%	0.512	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.7	-172.9	0	0	0	0	0	115.4	D1052 I1056	D1052-A1054 PolarHBondContact O-N 3.24Å; D1052-A1054 PolarHBondContact OD1-N 2.71Å; A1054-I1056 VanDerWaalsContact C-N 3.29Å; A1054-I1056 PolarHBondContact O-N 3.36Å
1055	K	90.6	Very high	83.9	Confident	30 Å²	30	51.6 Å²	51.6	13%	0.13	29%	0.294	C	S	.	.			trans	-70.5	-11.3	-170.9	-71.2	177.6	167.5	-172.7	0	117	E1027 I1030 N1034 N1048 T1050 D1052 H1057	E1027-K1055 IonicContact OE2-NZ 2.89Å; E1027-K1055 PolarHBondContact OE2-NZ 3.03Å; I1030-K1055 HydrophobicContact CD1-CB 4.38Å; I1030-K1055 HydrophobicContact CD1-CD 4.49Å; I1030-K1055 HydrophobicContact CG2-CB 3.75Å; N1034-K1055 PolarHBondContact ND2-O 3.07Å; N1048-K1055 PolarHBondContact O-NZ 2.83Å; T1050-K1055 WeakPolarHBondContact O-CE 3.48Å; T1050-K1055 PolarHBondContact O-NZ 3.4Å; T1050-K1055 VanDerWaalsContact OG1-CE 3.31Å; T1050-K1055 WeakPolarHBondContact OG1-CE 2.89Å; T1050-K1055 PolarHBondContact OG1-NZ 3.37Å; D1052-K1055 HydrophobicContact CB-CD 4.11Å; D1052-K1055 HydrophobicContact CB-CG 3.83Å; D1052-K1055 WeakPolarHBondContact O-CG 3.19Å; K1055-H1057 PolarHBondContact O-CD2 2.9Å; K1055-H1057 PolarHBondContact O-N 3.09Å
1056	I	93.2	Very high	84.6	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.036	28%	0.284	C	S	.	.			trans	-70.7	118.2	-175.3	-69.7	176.1	0	0	0	109.2	S737 F739 L803 I812 I1030 A1054	S737-I1056 VanDerWaalsContact CB-CD1 3.42Å; F739-I1056 HydrophobicContact CD2-CG2 4.05Å; F739-I1056 HydrophobicContact CE2-CG2 4.17Å; L803-I1056 HydrophobicContact CD1-CD1 3.97Å; L803-I1056 HydrophobicContact CD2-CD1 3.96Å; L803-I1056 HydrophobicContact CG-CD1 4.38Å; I812-I1056 HydrophobicContact CD1-CD1 4.02Å; I812-I1056 HydrophobicContact CD1-CG1 4.39Å; I812-I1056 HydrophobicContact CG1-CD1 3.92Å; I812-I1056 HydrophobicContact CG2-CG2 4.44Å; I1030-I1056 HydrophobicContact CG1-CG1 4.26Å; A1054-I1056 VanDerWaalsContact C-N 3.29Å; A1054-I1056 PolarHBondContact O-N 3.36Å
1057	H	92.3	Very high	85.5	Confident	97 Å²	97	49.5 Å²	49.5	45%	0.449	28%	0.281	S	S	.	.			trans	-75	152.4	174.3	-69.2	-179.5	0	0	0	111.4	W1033 N1034 L1037 K1055	W1033-H1057 PolarHBondContact NE1-O 2.87Å; N1034-H1057 WeakPolarHBondContact OD1-CB 3.41Å; N1034-H1057 PolarHBondContact OD1-N 3.06Å; L1037-H1057 HydrophobicContact CD1-CB 4.23Å; K1055-H1057 PolarHBondContact O-CD2 2.9Å; K1055-H1057 PolarHBondContact O-N 3.09Å
1058	C	92.1	Very high	86.6	Confident	52 Å²	52	49.2 Å²	49.2	35%	0.351	28%	0.279	S	S	.	.			trans	-108.9	139.6	178.6	-59.8	0	0	0	0	110.7	C741 S1060	C741-C1058 WeakPolarHBondContact CA-SG 3.46Å; C741-C1058 HydrophobicContact CB-CB 3.66Å; C741-C1058 WeakPolarHBondContact CB-SG 3.35Å; C741-C1058 PolarHBondContact N-SG 2.66Å; C741-C1058 VanDerWaalsContact N-SG 3.45Å; C741-C1058 WeakPolarHBondContact SG-CA 3.27Å; C741-C1058 WeakPolarHBondContact SG-CB 3.49Å; C741-C1058 CovalentContact SG-SG 2.04Å; C741-C1058 PolarHBondContact SG-SG 2.88Å; C1058-S1060 PolarHBondContact O-N 2.73Å
1059	P	90.4	Very high	87.6	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.104	29%	0.285	C	S	.	.			trans	-55.6	135.7	169.3	-21.4	31.3	0	0	0	110.5	P759 F816 L1037	P759-P1059 HydrophobicContact CG-CG 3.94Å; F816-P1059 HydrophobicContact CE1-CG 4.14Å; F816-P1059 HydrophobicContact CZ-CG 4.16Å; L1037-P1059 HydrophobicContact CD1-CG 4.2Å; L1037-P1059 HydrophobicContact CD2-CG 4.04Å
1060	S	85.3	Confident	88.4	Confident	60 Å²	60	53.9 Å²	53.9	42%	0.42	31%	0.31	S	S	.	.			trans	-80	157.9	179.6	74.4	0	0	0	0	111.3	C1058 A1062 S1063 P1064	C1058-S1060 PolarHBondContact O-N 2.73Å; S1060-A1062 VanDerWaalsContact C-N 3.25Å; S1060-A1062 PolarHBondContact O-N 3.07Å; S1060-S1063 CarbonylContact O-C 3.6Å; S1060-S1063 PolarHBondContact O-N 2.97Å; S1060-S1063 PolarHBondContact OG-N 2.99Å; S1060-P1064 WeakPolarHBondContact O-CA 3.36Å; S1060-P1064 VanDerWaalsContact O-N 3.16Å
1061	E	83.3	Confident	89.3	Confident	174 Å²	174	53.2 Å²	53.2	81%	0.813	31%	0.305	S	S	*	.	S	Bend	trans	-64.5	-32.6	173	-68	-171.7	168.6	0	0	112.3	S1063	E1061-S1063 VanDerWaalsContact C-N 3.35Å
1062	A	84.3	Confident	89.8	Confident	92 Å²	92	54.6 Å²	54.6	76%	0.76	32%	0.319	S	S	*	.	S	Bend	trans	-72.4	-28.6	178.2	0	0	0	0	0	112.8	S1060	S1060-A1062 VanDerWaalsContact C-N 3.25Å; S1060-A1062 PolarHBondContact O-N 3.07Å
1063	S	85.1	Confident	90.3	Very high	44 Å²	44	53.3 Å²	53.3	31%	0.308	31%	0.314	S	S	.	.			trans	-142.2	79.7	-179.7	-55.6	0	0	0	0	109.5	S1060 E1061 F1065	S1060-S1063 CarbonylContact O-C 3.6Å; S1060-S1063 PolarHBondContact O-N 2.97Å; S1060-S1063 PolarHBondContact OG-N 2.99Å; E1061-S1063 VanDerWaalsContact C-N 3.35Å; S1063-F1065 PolarHBondContact O-N 2.8Å
1064	P	90	Very high	90.4	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.097	32%	0.318	C	S	.	.			trans	-79.6	4	-177.6	33.4	-36.9	0	0	0	113.2	S1060	S1060-P1064 WeakPolarHBondContact O-CA 3.36Å; S1060-P1064 VanDerWaalsContact O-N 3.16Å
1065	F	92.8	Very high	90.5	Very high	46 Å²	46	52.3 Å²	52.3	20%	0.202	31%	0.307	C	S	.	.	S	Bend	trans	-97.9	157	-172.4	-48.1	-63.2	0	0	0	112	M756 L757 R758 S1063	M756-F1065 VanDerWaalsContact C-CD1 3.45Å; M756-F1065 HydrophobicContact CB-CE1 4.35Å; M756-F1065 HydrophobicContact CE-CE1 3.75Å; M756-F1065 HydrophobicContact CE-CE2 3.98Å; M756-F1065 HydrophobicContact CE-CZ 3.31Å; M756-F1065 VanDerWaalsContact O-CD1 3.28Å; M756-F1065 WeakPolarHBondContact O-CD1 3.47Å; M756-F1065 HydrophobicContact SD-CE1 4.24Å; M756-F1065 HydrophobicContact SD-CE2 4.09Å; M756-F1065 HydrophobicContact SD-CZ 3.92Å; L757-F1065 CarbonylContact O-C 3.43Å; L757-F1065 WeakPolarHBondContact O-CA 3.46Å; R758-F1065 HydrophobicContact CG-CD1 3.98Å; R758-F1065 HydrophobicContact CG-CE1 4.23Å; S1063-F1065 PolarHBondContact O-N 2.8Å
1066	I	95.7	Very high	90.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.1	132.1	165	-62.6	165.3	0	0	0	108.1	L757 P759 I762 L915 M1036 N1071	L757-I1066 PolarHBondContact O-N 3.05Å; P759-I1066 HydrophobicContact CG-CG1 4.36Å; I762-I1066 HydrophobicContact CD1-CD1 3.44Å; I762-I1066 VanDerWaalsContact CD1-CD1 3.44Å; I762-I1066 HydrophobicContact CG1-CD1 4.4Å; L915-I1066 HydrophobicContact CD2-CB 4.25Å; L915-I1066 HydrophobicContact CD2-CD1 4.34Å; L915-I1066 HydrophobicContact CD2-CG2 3.58Å; M1036-I1066 HydrophobicContact CB-CG2 4.09Å; M1036-I1066 HydrophobicContact CE-CD1 3.74Å; M1036-I1066 HydrophobicContact CE-CG1 4.22Å; M1036-I1066 HydrophobicContact CE-CG2 3.97Å; I1066-N1071 PolarHBondContact O-ND2 2.65Å
1067	F	96.3	Very high	90.4	Very high	22 Å²	22	56.5 Å²	56.5	10%	0.096	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-77	136.1	-175.3	-78.9	-77.4	0	0	0	112.4	M1036 L1037 E1038 P1039 N1071	M1036-F1067 PolarHBondContact O-N 3.17Å; L1037-F1067 VanDerWaalsContact O-CD2 3.25Å; L1037-F1067 WeakPolarHBondContact O-CD2 3.25Å; L1037-F1067 WeakPolarHBondContact O-CE2 3.17Å; E1038-F1067 VanDerWaalsContact C-CD2 3.49Å; E1038-F1067 WeakPolarHBondContact O-CB 3.43Å; P1039-F1067 HydrophobicContact CB-CD1 4.12Å; P1039-F1067 HydrophobicContact CB-CE1 4.19Å; P1039-F1067 HydrophobicContact CB-CG 4.49Å; P1039-F1067 HydrophobicContact CG-CD1 4.16Å; P1039-F1067 HydrophobicContact CG-CD2 4.46Å; P1039-F1067 HydrophobicContact CG-CE1 3.82Å; P1039-F1067 HydrophobicContact CG-CE2 4.13Å; P1039-F1067 HydrophobicContact CG-CG 4.46Å; P1039-F1067 HydrophobicContact CG-CZ 3.8Å; F1067-N1071 WeakPolarHBondContact CA-OD1 3.21Å; F1067-N1071 WeakPolarHBondContact CD1-O 3.3Å; F1067-N1071 WeakPolarHBondContact CE1-O 3.45Å
1068	T	95.8	Very high	90.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.328	C	S	.	.			trans	-135.2	168.5	178.2	64.3	0	0	0	0	108.1	H755 L915 A988 V990 A1070 N1071 S1072	H755-T1068 PolarHBondContact ND1-OG1 3.1Å; L915-T1068 HydrophobicContact CD1-CG2 4.08Å; A988-T1068 HydrophobicContact CB-CG2 4.21Å; V990-T1068 HydrophobicContact CG2-CG2 4.12Å; T1068-A1070 PolarHBondContact O-N 3.46Å; T1068-A1070 VanDerWaalsContact O-N 3.11Å; T1068-N1071 WeakPolarHBondContact CA-OD1 3.31Å; T1068-N1071 PolarHBondContact N-OD1 3.24Å; T1068-N1071 PolarHBondContact O-N 3.17Å; T1068-N1071 PolarHBondContact O-OD1 2.96Å; T1068-N1071 PolarHBondContact OG1-OD1 3.42Å; T1068-S1072 WeakPolarHBondContact O-CB 3.19Å; T1068-S1072 PolarHBondContact O-N 3.33Å; T1068-S1072 PolarHBondContact O-OG 3.23Å
1069	K	91.9	Very high	90.1	Very high	99 Å²	99	53.9 Å²	53.9	43%	0.43	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.9	-179.6	-172.2	-179	176	-169.4	0	113.7	G978 D982	G978-K1069 PolarHBondContact O-NZ 3.04Å; D982-K1069 IonicContact OD2-NZ 3.91Å; D982-K1069 PolarHBondContact OD2-NZ 3.35Å
1070	A	91.6	Very high	90.1	Very high	72 Å²	72	56.8 Å²	56.8	60%	0.595	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.9	-173.9	0	0	0	0	0	115	H755 T1068	H755-A1070 HydrophobicContact CB-CB 4.47Å; T1068-A1070 PolarHBondContact O-N 3.46Å; T1068-A1070 VanDerWaalsContact O-N 3.11Å
1071	N	92.3	Very high	90.5	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.214	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	12.7	-179.9	71.6	-6.8	0	0	0	113.2	H755 I1066 F1067 T1068	H755-N1071 HydrophobicContact CB-CB 4.39Å; H755-N1071 PolarHBondContact O-ND2 3.08Å; I1066-N1071 PolarHBondContact O-ND2 2.65Å; F1067-N1071 WeakPolarHBondContact CA-OD1 3.21Å; F1067-N1071 WeakPolarHBondContact CD1-O 3.3Å; F1067-N1071 WeakPolarHBondContact CE1-O 3.45Å; T1068-N1071 WeakPolarHBondContact CA-OD1 3.31Å; T1068-N1071 PolarHBondContact N-OD1 3.24Å; T1068-N1071 PolarHBondContact O-N 3.17Å; T1068-N1071 PolarHBondContact O-OD1 2.96Å; T1068-N1071 PolarHBondContact OG1-OD1 3.42Å
1072	S	86.9	Confident	91.1	Very high	74 Å²	74	45.9 Å²	45.9	52%	0.517	29%	0.293	S	S	.	.			trans	-95.6	0	178.8	-63.8	0	0	0	0	113.3	V1040 T1068	V1040-S1072 VanDerWaalsContact N-CB 3.28Å; V1040-S1072 PolarHBondContact N-OG 3.33Å; T1068-S1072 WeakPolarHBondContact O-CB 3.19Å; T1068-S1072 PolarHBondContact O-N 3.33Å; T1068-S1072 PolarHBondContact O-OG 3.23Å

Retrieved 1,072 of 1,072 residues in 3177.2 ms (Link to these results)

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