A0A096NQZ9_PAPAN Loading...

DNA replication licensing factor MCM6

Acts as a component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. Core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity. Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB (A0A2K6M0D4), UniProt , Accession A0A096NQZ9, Species PAPAN (Papio anubis, Olive baboon), Gene MCM6, Length 821 aa.

						>A0A096NQZ9_PAPAN|A0A096NQZ9|MCM6
MDLAAAAEPGAGSQHLEVRDEVAEKCQKLFLDFLEEFQSSDGEVKYLQLAEELIRPERNTLVVSFVDLEQFNQQLSTTIQEEFYRVYPYLCRALKTFVKDRKEIPLAKDFYVAFQDLPTRHKIRELTSSRIGLLTRISGQVVRTHPVHPELVSGTFLCLDCQTVIRDVEQQFKYTQPNICRNPVCANRRRFLLDTNKSRFVDFQKVRIQETQAELPRGSIPRSLEVILRAEAVESAQAGDKCDFTGTLIVVPDVSKLSTPGARAETNSRVSGVDGYETEGIRGLRALGVRDLSYRLVFLACCVAPTNPRFGGKELRDEEQTAESIKNQMTVKEWEKVFEMSQDKNLYHNLCTSLFPTIHGNDEVKRGVLLMLFGGVPKTTGEGTSLRGDINVCIVGDPSTAKSQFLKHVEEFSPRAVYTSGKASSAAGLTAAVVRDEESHEFVIEAGALMLADNGVCCIDEFDKMDVRDQVAIHEAMEQQTISITKAGVKATLNARTSILAAANPISGHYDRSKSLKQNINLSAPIMSRFDLFFILVDECNEVTDYAIARRIVDLHSRIEESIDRVYSLDDIRRYLLFARQFKPKISKESEDFIVEQYKHLRQRDGSGVTKSSWRITVRQLESMIRLSEAMARMHCCDEVQPKHVKEAFRLLNKSIIRVETPDVNLDQEEEIQMEVDEGAGGINGHADSPAPVNGINGYSEDINQESAPKASLRLGFSEYCRISNLIVLHLRKVEEEEDESALKRSELVNWYLKEIESEIDSEEELINKKRIIEKVIHRLTHYDHVLIELTQAGLKGSTEGSESYEEDPYLVVNPNYLLED
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	30.3	Very low	231 Å²	231	133.5 Å²	133.5	100%	1.138	87%	0.874	S	S	*	*				0	102.9	0	-67.7	173.7	-177.9	0	0	106
2	D	29.5	Very low	30.3	Very low	154 Å²	154	127.3 Å²	127.3	82%	0.824	85%	0.852	S	S	*	*			cis	-146.9	130.6	7.9	-79.3	-39.4	0	0	0	109.5
3	L	31.9	Very low	30.9	Very low	179 Å²	179	127.3 Å²	127.3	94%	0.937	85%	0.854	S	S	*	*			trans	-86.6	119.4	160.2	-94.3	139.2	0	0	0	106.4
4	A	28.9	Very low	31.6	Very low	96 Å²	96	130.9 Å²	130.9	79%	0.793	85%	0.853	S	S	*	*			trans	-143.7	83.3	164.5	0	0	0	0	0	109.2	A6	A4-A6 PolarHBondContact O-N 2.97Å
5	A	30.3	Very low	32.5	Very low	99 Å²	99	135.1 Å²	135.1	82%	0.818	86%	0.856	S	S	*	*			trans	-65.1	115.7	160.5	0	0	0	0	0	108.4	A7	A5-A7 PolarHBondContact O-N 3.36Å
6	A	29.8	Very low	34.2	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	85%	0.853	S	S	*	*			trans	-78	104.5	168	0	0	0	0	0	108.3	A4	A4-A6 PolarHBondContact O-N 2.97Å
7	A	27.5	Very low	36.3	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-75.8	119.8	169	0	0	0	0	0	109.4	A5	A5-A7 PolarHBondContact O-N 3.36Å
8	E	29.8	Very low	39	Very low	191 Å²	191	139.3 Å²	139.3	89%	0.893	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-78.3	130.3	163.8	-72.7	-167	157.9	0	0	109.9
9	P	32.6	Very low	41	Very low	132 Å²	132	140.9 Å²	140.9	86%	0.857	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-91.7	131.5	177.1	34.1	-28.3	0	0	0	110.5
10	G	28.7	Very low	43.3	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	81%	0.809	S	S	*	*			trans	138	47.6	164.1	0	0	0	0	0	116.7	G12	G10-G12 PolarHBondContact O-N 3.04Å
11	A	32.4	Very low	45.4	Very low	113 Å²	113	135.3 Å²	135.3	93%	0.934	80%	0.8	S	S	*	*			trans	-72.3	71.9	160.2	0	0	0	0	0	109.7
12	G	30.4	Very low	48.1	Very low	59 Å²	59	127.7 Å²	127.7	61%	0.608	77%	0.766	S	S	*	*			trans	-67.3	132.2	157.1	0	0	0	0	0	107.7	G10 Q14	G10-G12 PolarHBondContact O-N 3.04Å; G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.95Å
13	S	37.2	Very low	50.9	Low	127 Å²	127	120.3 Å²	120.3	89%	0.888	73%	0.727	S	S	*	*			trans	-53.5	87.6	-179.8	56.4	0	0	0	0	112	H15	S13-H15 PolarHBondContact O-N 2.83Å
14	Q	41.4	Very low	53.7	Low	178 Å²	178	115 Å²	115	83%	0.832	70%	0.697	S	S	*	*			trans	-72.2	114	159.9	-70.1	-179.3	-2.5	0	0	105.3	G12 L16	G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.95Å; Q14-L16 PolarHBondContact O-N 3.37Å
15	H	45.2	Very low	56.7	Low	193 Å²	193	117.2 Å²	117.2	89%	0.894	69%	0.689	S	S	*	*			trans	-52.7	108.8	162.3	-126.6	-78.5	0	0	0	105.8	S13 E17	S13-H15 PolarHBondContact O-N 2.83Å; H15-E17 PolarHBondContact O-N 3.35Å
16	L	60.1	Low	59.6	Low	156 Å²	156	112.7 Å²	112.7	82%	0.817	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.7	125.4	179.1	-75.7	154	0	0	0	107.5	Q14 V18	Q14-L16 PolarHBondContact O-N 3.37Å; L16-V18 PolarHBondContact O-N 2.92Å
17	E	69.7	Low	62.6	Low	180 Å²	180	110.1 Å²	110.1	84%	0.841	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-52.7	137.4	172.2	-65.6	-179.8	171.4	0	0	108.6	H15 R19	H15-E17 PolarHBondContact O-N 3.35Å; E17-R19 PolarHBondContact O-N 2.94Å; E17-R19 VanDerWaalsContact O-N 3.12Å
18	V	84.2	Confident	65.7	Low	145 Å²	145	112.1 Å²	112.1	88%	0.879	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-64.1	118.1	178.5	178.9	0	0	0	0	107.5	L16 D20	L16-V18 PolarHBondContact O-N 2.92Å; V18-D20 PolarHBondContact O-N 3.28Å
19	R	78.1	Confident	68.7	Low	171 Å²	171	105.4 Å²	105.4	65%	0.645	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-67.5	129.7	179.2	-70.4	-166.1	172.2	-165.6	-4.6	110.6	E17 E21	E17-R19 PolarHBondContact O-N 2.94Å; E17-R19 VanDerWaalsContact O-N 3.12Å; R19-E21 PolarHBondContact O-N 3.49Å
20	D	86.3	Confident	71.6	Confident	31 Å²	31	99.1 Å²	99.1	17%	0.166	54%	0.541	C	S	.	.			trans	-86.6	86.5	171.2	-168.2	-23.7	0	0	0	109.2	V18 V22 A23 E24 R85	V18-D20 PolarHBondContact O-N 3.28Å; D20-V22 PolarHBondContact O-N 3.22Å; D20-V22 PolarHBondContact OD1-N 2.96Å; D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 2.99Å; D20-A23 VanDerWaalsContact O-N 3.15Å; D20-A23 PolarHBondContact OD1-N 3.38Å; D20-A23 VanDerWaalsContact OD1-N 3.16Å; D20-E24 PolarHBondContact O-N 3.46Å; D20-R85 IonicContact OD1-CZ 3.76Å; D20-R85 IonicContact OD1-NE 2.66Å; D20-R85 IonicContact OD1-NH2 3.34Å; D20-R85 PolarHBondContact OD1-NH2 3.09Å; D20-R85 IonicContact OD2-CZ 3.57Å; D20-R85 VanDerWaalsContact OD2-CZ 3.3Å; D20-R85 IonicContact OD2-NE 2.7Å; D20-R85 PolarHBondContact OD2-NE 3.33Å; D20-R85 IonicContact OD2-NH2 2.76Å; D20-R85 PolarHBondContact OD2-NH2 3.39Å
21	E	88	Confident	74.7	Confident	132 Å²	132	97.1 Å²	97.1	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-55.2	-34.7	-178.1	-65.9	-69.2	160.2	0	0	113	R19 K25	R19-E21 PolarHBondContact O-N 3.49Å; E21-K25 WeakPolarHBondContact O-CB 3.43Å; E21-K25 PolarHBondContact O-N 3.39Å
22	V	88.3	Confident	77.5	Confident	71 Å²	71	94.4 Å²	94.4	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-70.9	-44.9	-179.9	178.6	0	0	0	0	110	D20 C26 T78	D20-V22 PolarHBondContact O-N 3.22Å; D20-V22 PolarHBondContact OD1-N 2.96Å; V22-C26 VanDerWaalsContact O-CB 3.29Å; V22-C26 WeakPolarHBondContact O-CB 2.9Å; V22-C26 PolarHBondContact O-N 3.43Å; V22-T78 HydrophobicContact CG1-CG2 4.23Å
23	A	88.7	Confident	80.5	Confident	0 Å²	0	91.6 Å²	91.6	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-70.6	-40.3	-179.7	0	0	0	0	0	112.4	D20 C26 Q27 Y89	D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 PolarHBondContact O-N 2.99Å; D20-A23 VanDerWaalsContact O-N 3.15Å; D20-A23 PolarHBondContact OD1-N 3.38Å; D20-A23 VanDerWaalsContact OD1-N 3.16Å; A23-C26 WeakPolarHBondContact O-CB 3.4Å; A23-C26 PolarHBondContact O-N 3.22Å; A23-Q27 WeakPolarHBondContact O-CB 3.43Å; A23-Q27 PolarHBondContact O-N 3.02Å; A23-Y89 HydrophobicContact CB-CD1 4.06Å; A23-Y89 HydrophobicContact CB-CD2 3.53Å; A23-Y89 HydrophobicContact CB-CE1 4.05Å; A23-Y89 HydrophobicContact CB-CE2 3.5Å; A23-Y89 VanDerWaalsContact CB-CE2 3.5Å; A23-Y89 HydrophobicContact CB-CG 3.8Å
24	E	89.9	Confident	83	Confident	66 Å²	66	85.6 Å²	85.6	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-40.7	174.9	-72.4	-175.3	-171.6	0	0	111.7	D20 Q27 K28	D20-E24 PolarHBondContact O-N 3.46Å; E24-Q27 WeakPolarHBondContact O-CB 3.49Å; E24-Q27 PolarHBondContact O-N 2.98Å; E24-K28 PolarHBondContact O-N 3.05Å
25	K	91.4	Very high	85.2	Confident	144 Å²	144	80 Å²	80	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-43.6	173.7	-176.5	-178.7	178.1	-174.2	0	111.6	E21 Q27 K28 L29	E21-K25 WeakPolarHBondContact O-CB 3.43Å; E21-K25 PolarHBondContact O-N 3.39Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-K28 PolarHBondContact O-N 3.34Å; K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CG 3.43Å; K25-L29 PolarHBondContact O-N 3.27Å
26	C	92.1	Very high	87.3	Confident	4 Å²	4	77 Å²	77	3%	0.027	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-43.7	175	-174.4	0	0	0	0	111.2	V22 A23 K28 L29 F30 L75 V86	V22-C26 VanDerWaalsContact O-CB 3.29Å; V22-C26 WeakPolarHBondContact O-CB 2.9Å; V22-C26 PolarHBondContact O-N 3.43Å; A23-C26 WeakPolarHBondContact O-CB 3.4Å; A23-C26 PolarHBondContact O-N 3.22Å; C26-K28 PolarHBondContact O-N 3.32Å; C26-L29 PolarHBondContact O-N 3.13Å; C26-F30 VanDerWaalsContact O-CB 3.28Å; C26-F30 WeakPolarHBondContact O-CB 3.28Å; C26-F30 PolarHBondContact O-N 2.86Å; C26-L75 HydrophobicContact CB-CD1 4.38Å; C26-L75 WeakPolarHBondContact SG-CD1 3.49Å; C26-V86 HydrophobicContact CB-CG1 4.39Å
27	Q	92.7	Very high	88.6	Confident	47 Å²	47	70.5 Å²	70.5	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-47.6	176.3	-170.9	-175.5	-18.6	0	0	111.9	A23 E24 K25 F30 L31 A93	A23-Q27 WeakPolarHBondContact O-CB 3.43Å; A23-Q27 PolarHBondContact O-N 3.02Å; E24-Q27 WeakPolarHBondContact O-CB 3.49Å; E24-Q27 PolarHBondContact O-N 2.98Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-F30 PolarHBondContact O-N 3.5Å; Q27-L31 WeakPolarHBondContact O-CB 3.37Å; Q27-L31 PolarHBondContact O-N 3.32Å; Q27-A93 HydrophobicContact CG-CB 3.72Å
28	K	92.5	Very high	89.4	Confident	140 Å²	140	67.9 Å²	67.9	61%	0.609	33%	0.325	S	S	*	.	H	α-helix	trans	-63.8	-50	178.7	-177.5	179.6	175.4	178.8	0	111.6	E24 K25 C26 F30 L31 D32	E24-K28 PolarHBondContact O-N 3.05Å; K25-K28 PolarHBondContact O-N 3.34Å; C26-K28 PolarHBondContact O-N 3.32Å; K28-F30 PolarHBondContact O-N 3.1Å; K28-L31 WeakPolarHBondContact O-CB 3.29Å; K28-L31 PolarHBondContact O-N 3.36Å; K28-L31 VanDerWaalsContact O-N 3.14Å; K28-D32 VanDerWaalsContact O-CG 3.27Å; K28-D32 PolarHBondContact O-N 3.28Å
29	L	93.4	Very high	89.3	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-34.7	179.8	-72	170.5	0	0	0	112.5	K25 C26 F33 L75	K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CG 3.43Å; K25-L29 PolarHBondContact O-N 3.27Å; C26-L29 PolarHBondContact O-N 3.13Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.34Å; L29-L75 HydrophobicContact CB-CD1 3.99Å; L29-L75 HydrophobicContact CB-CD2 4.23Å
30	F	94	Very high	89.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-73	-35.8	176.4	-173.2	-105.7	0	0	0	112.4	C26 Q27 K28 F33 L34 V63 L68 L75 I79 L90 A93 V112 F114	C26-F30 VanDerWaalsContact O-CB 3.28Å; C26-F30 WeakPolarHBondContact O-CB 3.28Å; C26-F30 PolarHBondContact O-N 2.86Å; Q27-F30 PolarHBondContact O-N 3.5Å; K28-F30 PolarHBondContact O-N 3.1Å; F30-F33 HydrophobicContact CD2-CD1 4.1Å; F30-F33 HydrophobicContact CE2-CD1 4.02Å; F30-F33 HydrophobicContact CE2-CE1 4.29Å; F30-F33 WeakPolarHBondContact O-CB 3.18Å; F30-F33 PolarHBondContact O-N 3.49Å; F30-L34 HydrophobicContact CD1-CD1 4.11Å; F30-L34 HydrophobicContact CE1-CD1 3.73Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 HydrophobicContact CZ-CD1 4.35Å; F30-L34 HydrophobicContact CZ-CD2 4.39Å; F30-L34 HydrophobicContact CZ-CG 4.42Å; F30-L34 WeakPolarHBondContact O-CG 3.39Å; F30-L34 PolarHBondContact O-N 3.41Å; F30-L34 VanDerWaalsContact O-N 3.09Å; F30-V63 HydrophobicContact CZ-CG2 4.43Å; F30-L68 HydrophobicContact CD2-CD1 4.01Å; F30-L68 HydrophobicContact CE2-CD1 3.82Å; F30-L75 HydrophobicContact CB-CD2 4.32Å; F30-L75 HydrophobicContact CD2-CD2 4.36Å; F30-I79 HydrophobicContact CD2-CD1 4.36Å; F30-L90 HydrophobicContact CB-CD2 3.8Å; F30-L90 HydrophobicContact CD1-CB 4.46Å; F30-L90 HydrophobicContact CD1-CD2 3.83Å; F30-L90 HydrophobicContact CD2-CD2 4.01Å; F30-L90 HydrophobicContact CE1-CB 4.43Å; F30-L90 HydrophobicContact CE1-CD2 4.39Å; F30-L90 HydrophobicContact CG-CD2 3.6Å; F30-A93 HydrophobicContact CD1-CB 3.93Å; F30-V112 HydrophobicContact CE1-CG2 4.2Å; F30-V112 HydrophobicContact CZ-CG1 4.02Å; F30-V112 HydrophobicContact CZ-CG2 4.34Å; F30-F114 HydrophobicContact CE2-CE1 4.35Å; F30-F114 HydrophobicContact CE2-CZ 4.23Å
31	L	93.1	Very high	88.5	Confident	34 Å²	34	65.4 Å²	65.4	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-47.4	171.6	-178.9	62.4	0	0	0	110.8	Q27 K28 F33 L34 E35 A93 T96 F97	Q27-L31 WeakPolarHBondContact O-CB 3.37Å; Q27-L31 PolarHBondContact O-N 3.32Å; K28-L31 WeakPolarHBondContact O-CB 3.29Å; K28-L31 PolarHBondContact O-N 3.36Å; K28-L31 VanDerWaalsContact O-N 3.14Å; L31-F33 PolarHBondContact O-N 3.36Å; L31-L34 PolarHBondContact O-N 2.98Å; L31-L34 VanDerWaalsContact O-N 3.1Å; L31-E35 PolarHBondContact O-N 3.45Å; L31-A93 HydrophobicContact CB-CB 4.45Å; L31-T96 HydrophobicContact CD2-CG2 4.49Å; L31-F97 HydrophobicContact CD1-CB 3.64Å; L31-F97 HydrophobicContact CD1-CD2 4.06Å; L31-F97 HydrophobicContact CD1-CG 4.32Å
32	D	91.6	Very high	88.1	Confident	56 Å²	56	61.4 Å²	61.4	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-57.8	-39.7	175.9	-62.6	-19	0	0	0	110.9	K28 E35 E36	K28-D32 VanDerWaalsContact O-CG 3.27Å; K28-D32 PolarHBondContact O-N 3.28Å; D32-E35 PolarHBondContact O-N 2.96Å; D32-E36 WeakPolarHBondContact O-CB 2.97Å; D32-E36 WeakPolarHBondContact O-CG 3.24Å; D32-E36 PolarHBondContact O-N 2.99Å
33	F	93	Very high	87.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-44	174.6	164	-104.9	0	0	0	113	L29 F30 L31 E35 F37 Y46 V63 D67 L68 F71	L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.34Å; F30-F33 HydrophobicContact CD2-CD1 4.1Å; F30-F33 HydrophobicContact CE2-CD1 4.02Å; F30-F33 HydrophobicContact CE2-CE1 4.29Å; F30-F33 WeakPolarHBondContact O-CB 3.18Å; F30-F33 PolarHBondContact O-N 3.49Å; L31-F33 PolarHBondContact O-N 3.36Å; F33-E35 PolarHBondContact O-N 2.92Å; F33-F37 HydrophobicContact CD2-CB 3.91Å; F33-F37 HydrophobicContact CD2-CD2 4.27Å; F33-F37 HydrophobicContact CD2-CG 4.27Å; F33-F37 HydrophobicContact CE2-CB 3.83Å; F33-F37 HydrophobicContact CE2-CD1 4.44Å; F33-F37 AromaticContact CE2-CD2 3.74Å; F33-F37 HydrophobicContact CE2-CD2 3.74Å; F33-F37 HydrophobicContact CE2-CE2 4.42Å; F33-F37 AromaticContact CE2-CG 3.73Å; F33-F37 HydrophobicContact CE2-CG 3.73Å; F33-F37 HydrophobicContact CZ-CG 4.44Å; F33-F37 WeakPolarHBondContact O-CB 3.43Å; F33-F37 PolarHBondContact O-N 3.43Å; F33-F37 VanDerWaalsContact O-N 3.1Å; F33-Y46 HydrophobicContact CE1-CD2 4.26Å; F33-Y46 AromaticContact CE1-CE2 3.83Å; F33-Y46 HydrophobicContact CE1-CE2 3.83Å; F33-Y46 HydrophobicContact CE2-CE2 4.19Å; F33-Y46 HydrophobicContact CZ-CD2 4.18Å; F33-Y46 AromaticContact CZ-CE2 3.42Å; F33-Y46 HydrophobicContact CZ-CE2 3.42Å; F33-Y46 VanDerWaalsContact CZ-CE2 3.42Å; F33-Y46 AromaticContact CZ-CZ 3.98Å; F33-V63 HydrophobicContact CE1-CG1 3.74Å; F33-V63 HydrophobicContact CZ-CG1 4.17Å; F33-D67 HydrophobicContact CE2-CB 4.5Å; F33-D67 HydrophobicContact CZ-CB 4.3Å; F33-L68 HydrophobicContact CD1-CD1 4.44Å; F33-L68 HydrophobicContact CE1-CB 4.49Å; F33-L68 HydrophobicContact CE1-CD1 4.24Å; F33-L68 HydrophobicContact CE1-CG 4.44Å; F33-L68 HydrophobicContact CE2-CB 4.3Å; F33-L68 HydrophobicContact CZ-CB 4.04Å; F33-L68 HydrophobicContact CZ-CG 4.39Å; F33-F71 HydrophobicContact CB-CD1 3.77Å; F33-F71 HydrophobicContact CB-CE1 3.78Å; F33-F71 HydrophobicContact CD2-CB 3.66Å; F33-F71 AromaticContact CD2-CD1 3.65Å; F33-F71 HydrophobicContact CD2-CD1 3.65Å; F33-F71 HydrophobicContact CD2-CD2 4.46Å; F33-F71 HydrophobicContact CD2-CE1 4.39Å; F33-F71 AromaticContact CD2-CG 3.69Å; F33-F71 HydrophobicContact CD2-CG 3.69Å; F33-F71 HydrophobicContact CE2-CB 4Å; F33-F71 HydrophobicContact CE2-CG 4.47Å; F33-F71 HydrophobicContact CG-CD1 4.18Å
34	L	90.1	Very high	87.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-28.3	179.7	-70.7	175.3	0	0	0	112.7	F30 L31 Y46 L61 L94 F97	F30-L34 HydrophobicContact CD1-CD1 4.11Å; F30-L34 HydrophobicContact CE1-CD1 3.73Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 HydrophobicContact CZ-CD1 4.35Å; F30-L34 HydrophobicContact CZ-CD2 4.39Å; F30-L34 HydrophobicContact CZ-CG 4.42Å; F30-L34 WeakPolarHBondContact O-CG 3.39Å; F30-L34 PolarHBondContact O-N 3.41Å; F30-L34 VanDerWaalsContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 2.98Å; L31-L34 VanDerWaalsContact O-N 3.1Å; L34-Y46 HydrophobicContact CD2-CD2 4.43Å; L34-Y46 HydrophobicContact CD2-CG 4.08Å; L34-L61 HydrophobicContact CD2-CD2 4Å; L34-L94 HydrophobicContact CD1-CD1 4.19Å; L34-F97 HydrophobicContact CB-CD1 4.45Å; L34-F97 HydrophobicContact CB-CD2 3.97Å; L34-F97 HydrophobicContact CB-CE1 4.4Å; L34-F97 HydrophobicContact CB-CE2 3.92Å; L34-F97 HydrophobicContact CB-CG 4.23Å; L34-F97 HydrophobicContact CB-CZ 4.14Å; L34-F97 HydrophobicContact CD1-CB 4.32Å; L34-F97 HydrophobicContact CD1-CD1 4.28Å; L34-F97 HydrophobicContact CD1-CG 4.2Å
35	E	87.9	Confident	87.2	Confident	60 Å²	60	65.6 Å²	65.6	28%	0.28	34%	0.343	S	S	.	.	H	α-helix	trans	-84.9	-42.8	-179.7	-71.3	179.5	177.3	0	0	113	L31 D32 F33 F97	L31-E35 PolarHBondContact O-N 3.45Å; D32-E35 PolarHBondContact O-N 2.96Å; F33-E35 PolarHBondContact O-N 2.92Å; E35-F97 HydrophobicContact CB-CE2 4.5Å; E35-F97 HydrophobicContact CG-CD2 3.74Å; E35-F97 HydrophobicContact CG-CE2 3.58Å
36	E	88.4	Confident	87.1	Confident	130 Å²	130	58.9 Å²	58.9	61%	0.607	31%	0.314	S	S	*	.	H	α-helix	trans	-95.8	-18.6	-169.2	-63.4	-66.6	148.3	0	0	113.7	D32 Q38 F71	D32-E36 WeakPolarHBondContact O-CB 2.97Å; D32-E36 WeakPolarHBondContact O-CG 3.24Å; D32-E36 PolarHBondContact O-N 2.99Å; E36-Q38 PolarHBondContact O-N 2.65Å; E36-Q38 VanDerWaalsContact O-N 3.09Å; E36-F71 HydrophobicContact CB-CE2 3.98Å; E36-F71 HydrophobicContact CB-CZ 4.13Å
37	F	88.3	Confident	86.8	Confident	20 Å²	20	61.5 Å²	61.5	9%	0.088	33%	0.327	C	S	.	.			trans	-71	110.8	-176	-173.7	-95.4	0	0	0	112.2	F33 K45 Y46 D67 F71	F33-F37 HydrophobicContact CD2-CB 3.91Å; F33-F37 HydrophobicContact CD2-CD2 4.27Å; F33-F37 HydrophobicContact CD2-CG 4.27Å; F33-F37 HydrophobicContact CE2-CB 3.83Å; F33-F37 HydrophobicContact CE2-CD1 4.44Å; F33-F37 AromaticContact CE2-CD2 3.74Å; F33-F37 HydrophobicContact CE2-CD2 3.74Å; F33-F37 HydrophobicContact CE2-CE2 4.42Å; F33-F37 AromaticContact CE2-CG 3.73Å; F33-F37 HydrophobicContact CE2-CG 3.73Å; F33-F37 HydrophobicContact CZ-CG 4.44Å; F33-F37 WeakPolarHBondContact O-CB 3.43Å; F33-F37 PolarHBondContact O-N 3.43Å; F33-F37 VanDerWaalsContact O-N 3.1Å; F37-K45 HydrophobicContact CE1-CD 4.42Å; F37-Y46 HydrophobicContact CB-CD2 4.34Å; F37-Y46 HydrophobicContact CB-CE2 4.45Å; F37-Y46 AromaticContact CD1-CD2 3.91Å; F37-Y46 HydrophobicContact CD1-CD2 3.91Å; F37-Y46 AromaticContact CD1-CE2 3.51Å; F37-Y46 HydrophobicContact CD1-CE2 3.51Å; F37-Y46 HydrophobicContact CE1-CE2 4.06Å; F37-Y46 HydrophobicContact CG-CD2 4.48Å; F37-Y46 HydrophobicContact CG-CE2 4.17Å; F37-D67 HydrophobicContact CD1-CB 4.48Å; F37-D67 HydrophobicContact CE1-CB 3.72Å; F37-D67 HydrophobicContact CE2-CB 3.96Å; F37-D67 WeakPolarHBondContact CE2-O 3.3Å; F37-D67 HydrophobicContact CZ-CB 3.41Å; F37-D67 VanDerWaalsContact CZ-CB 3.41Å; F37-F71 HydrophobicContact CD2-CB 4.09Å; F37-F71 HydrophobicContact CD2-CD2 4.42Å
38	Q	85.1	Confident	86.3	Confident	126 Å²	126	64.6 Å²	64.6	59%	0.589	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-102.7	141.9	177.9	60.6	-175.1	-2.3	0	0	111.9	E36 E43	E36-Q38 PolarHBondContact O-N 2.65Å; E36-Q38 VanDerWaalsContact O-N 3.09Å; Q38-E43 WeakPolarHBondContact CA-O 3.49Å
39	S	81.7	Confident	86	Confident	39 Å²	39	60.9 Å²	60.9	27%	0.273	33%	0.328	S	S	.	.			trans	-69.2	174.4	168.9	-68.4	0	0	0	0	111.3	D41 G42 E43 K45	S39-D41 PolarHBondContact O-N 3.05Å; S39-G42 PolarHBondContact O-N 2.84Å; S39-G42 VanDerWaalsContact O-N 3.07Å; S39-E43 PolarHBondContact N-O 3.38Å; S39-K45 WeakPolarHBondContact OG-CB 3.27Å
40	S	76.8	Confident	85.5	Confident	120 Å²	120	59 Å²	59	84%	0.839	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-26.5	171.1	50	0	0	0	0	114	G42	S40-G42 VanDerWaalsContact C-N 3.33Å
41	D	72.4	Confident	85	Confident	135 Å²	135	63.6 Å²	63.6	72%	0.722	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.1	-174.5	-50.2	-30.7	0	0	0	112.8	S39 E43	S39-D41 PolarHBondContact O-N 3.05Å; D41-E43 PolarHBondContact O-N 3.39Å
42	G	77.9	Confident	84.5	Confident	49 Å²	49	65.8 Å²	65.8	51%	0.505	35%	0.351	S	S	.	.	S	Bend	trans	77.8	3.1	-179.8	0	0	0	0	0	114.7	S39 S40	S39-G42 PolarHBondContact O-N 2.84Å; S39-G42 VanDerWaalsContact O-N 3.07Å; S40-G42 VanDerWaalsContact C-N 3.33Å
43	E	82	Confident	84.1	Confident	113 Å²	113	63.2 Å²	63.2	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-93.1	144	174.1	-63.5	-170.4	163.4	0	0	111.8	Q38 S39 D41 K45 Q48	Q38-E43 WeakPolarHBondContact CA-O 3.49Å; S39-E43 PolarHBondContact N-O 3.38Å; D41-E43 PolarHBondContact O-N 3.39Å; E43-K45 PolarHBondContact O-N 3.39Å; E43-Q48 PolarHBondContact OE2-NE2 3.4Å
44	V	83.1	Confident	83.5	Confident	43 Å²	43	66.5 Å²	66.5	26%	0.261	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-74.6	105.1	176.7	-175.7	0	0	0	0	109.7	Y46 L47	V44-Y46 PolarHBondContact O-N 3.09Å; V44-L47 HydrophobicContact CB-CB 3.94Å; V44-L47 HydrophobicContact CG1-CB 3.81Å; V44-L47 WeakPolarHBondContact O-CB 3.3Å; V44-L47 PolarHBondContact O-N 3.05Å
45	K	84.5	Confident	83.2	Confident	69 Å²	69	73 Å²	73	30%	0.3	38%	0.378	S	S	.	.	H	α-helix	trans	-56.3	-48.2	-175.5	-171.6	178.2	174	-177	0	113	F37 S39 E43 L47 D67	F37-K45 HydrophobicContact CE1-CD 4.42Å; S39-K45 WeakPolarHBondContact OG-CB 3.27Å; E43-K45 PolarHBondContact O-N 3.39Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 3.07Å; K45-D67 IonicContact NZ-OD1 3.84Å; K45-D67 IonicContact NZ-OD2 2.95Å; K45-D67 PolarHBondContact NZ-OD2 3.18Å
46	Y	87.8	Confident	82.7	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.008	40%	0.402	C	S	.	.	H	α-helix	trans	-75.4	-16.9	-173.3	-65.7	-64.5	0	0	0	113.1	F33 L34 F37 V44 L49 A50 V63 S64 D67	F33-Y46 HydrophobicContact CE1-CD2 4.26Å; F33-Y46 AromaticContact CE1-CE2 3.83Å; F33-Y46 HydrophobicContact CE1-CE2 3.83Å; F33-Y46 HydrophobicContact CE2-CE2 4.19Å; F33-Y46 HydrophobicContact CZ-CD2 4.18Å; F33-Y46 AromaticContact CZ-CE2 3.42Å; F33-Y46 HydrophobicContact CZ-CE2 3.42Å; F33-Y46 VanDerWaalsContact CZ-CE2 3.42Å; F33-Y46 AromaticContact CZ-CZ 3.98Å; L34-Y46 HydrophobicContact CD2-CD2 4.43Å; L34-Y46 HydrophobicContact CD2-CG 4.08Å; F37-Y46 HydrophobicContact CB-CD2 4.34Å; F37-Y46 HydrophobicContact CB-CE2 4.45Å; F37-Y46 AromaticContact CD1-CD2 3.91Å; F37-Y46 HydrophobicContact CD1-CD2 3.91Å; F37-Y46 AromaticContact CD1-CE2 3.51Å; F37-Y46 HydrophobicContact CD1-CE2 3.51Å; F37-Y46 HydrophobicContact CE1-CE2 4.06Å; F37-Y46 HydrophobicContact CG-CD2 4.48Å; F37-Y46 HydrophobicContact CG-CE2 4.17Å; V44-Y46 PolarHBondContact O-N 3.09Å; Y46-L49 HydrophobicContact CD1-CD1 4.05Å; Y46-L49 HydrophobicContact CE1-CD1 4.37Å; Y46-A50 VanDerWaalsContact O-CB 3.26Å; Y46-A50 WeakPolarHBondContact O-CB 3.37Å; Y46-A50 PolarHBondContact O-N 3.43Å; Y46-V63 HydrophobicContact CD1-CG2 4.48Å; Y46-V63 HydrophobicContact CE1-CB 4.28Å; Y46-V63 HydrophobicContact CE1-CG1 4.13Å; Y46-V63 HydrophobicContact CE1-CG2 4.18Å; Y46-S64 PolarHBondContact OH-N 3.46Å; Y46-D67 WeakPolarHBondContact OH-CB 3.35Å; Y46-D67 PolarHBondContact OH-OD2 2.98Å
47	L	87	Confident	82.3	Confident	59 Å²	59	78.2 Å²	78.2	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-68.6	-48.4	175.6	-173.7	64.7	0	0	0	111	V44 K45 L49 A50 E51 F97 R101	V44-L47 HydrophobicContact CB-CB 3.94Å; V44-L47 HydrophobicContact CG1-CB 3.81Å; V44-L47 WeakPolarHBondContact O-CB 3.3Å; V44-L47 PolarHBondContact O-N 3.05Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 3.07Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 3.02Å; L47-A50 PolarHBondContact O-N 2.91Å; L47-A50 VanDerWaalsContact O-N 3.15Å; L47-E51 PolarHBondContact O-N 3.48Å; L47-F97 HydrophobicContact CD1-CZ 4.24Å; L47-R101 HydrophobicContact CD1-CG 4.49Å
48	Q	82.9	Confident	82.1	Confident	113 Å²	113	80.4 Å²	80.4	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-39.2	177.1	-65.6	175.5	-5.1	0	0	111.8	E43 A50 E51 E52	E43-Q48 PolarHBondContact OE2-NE2 3.4Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-E51 PolarHBondContact O-N 2.92Å; Q48-E52 PolarHBondContact O-N 3.44Å
49	L	84.2	Confident	82.3	Confident	61 Å²	61	76.2 Å²	76.2	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-68.2	-33.2	176.6	-63.6	176.6	0	0	0	112.4	Y46 L47 E52 L53 L61	Y46-L49 HydrophobicContact CD1-CD1 4.05Å; Y46-L49 HydrophobicContact CE1-CD1 4.37Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 3.02Å; L49-E52 PolarHBondContact O-N 3.36Å; L49-L53 PolarHBondContact O-N 3.04Å; L49-L61 HydrophobicContact CB-CD1 3.69Å
50	A	84.6	Confident	82.7	Confident	10 Å²	10	75.1 Å²	75.1	8%	0.083	39%	0.394	C	S	.	.	H	α-helix	trans	-73.9	-30.8	175.8	0	0	0	0	0	112.8	Y46 L47 Q48 E52 L53 F97	Y46-A50 VanDerWaalsContact O-CB 3.26Å; Y46-A50 WeakPolarHBondContact O-CB 3.37Å; Y46-A50 PolarHBondContact O-N 3.43Å; L47-A50 PolarHBondContact O-N 2.91Å; L47-A50 VanDerWaalsContact O-N 3.15Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.02Å; A50-L53 WeakPolarHBondContact O-CB 3.34Å; A50-L53 PolarHBondContact O-N 3.44Å; A50-L53 VanDerWaalsContact O-N 3.1Å; A50-F97 HydrophobicContact CB-CD1 4.24Å; A50-F97 HydrophobicContact CB-CE1 3.64Å
51	E	83	Confident	83.4	Confident	97 Å²	97	69.6 Å²	69.6	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-40.5	170.7	-71.6	-65.2	157.4	0	0	111	L47 Q48 L53 I54	L47-E51 PolarHBondContact O-N 3.48Å; Q48-E51 PolarHBondContact O-N 2.92Å; E51-L53 PolarHBondContact O-N 2.96Å; E51-I54 WeakPolarHBondContact O-CB 3.44Å; E51-I54 WeakPolarHBondContact O-CG2 3.42Å; E51-I54 PolarHBondContact O-N 3.13Å
52	E	82.5	Confident	84.3	Confident	79 Å²	79	65.5 Å²	65.5	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-24.6	174.6	-76.4	-66.6	138.8	0	0	113.5	Q48 L49 A50 I54 R55	Q48-E52 PolarHBondContact O-N 3.44Å; L49-E52 PolarHBondContact O-N 3.36Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.02Å; E52-I54 PolarHBondContact O-N 3.44Å; E52-R55 VanDerWaalsContact CD-NH2 3.3Å; E52-R55 WeakPolarHBondContact O-CG 3.4Å; E52-R55 PolarHBondContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 2.99Å; E52-R55 IonicContact OE1-NE 2.78Å; E52-R55 IonicContact OE1-NH2 2.69Å; E52-R55 PolarHBondContact OE1-NH2 3.31Å; E52-R55 IonicContact OE2-CZ 3.75Å; E52-R55 IonicContact OE2-NE 3.27Å; E52-R55 PolarHBondContact OE2-NE 2.94Å; E52-R55 IonicContact OE2-NH1 3.34Å; E52-R55 IonicContact OE2-NH2 3.83Å; E52-R55 PolarHBondContact OE2-NH2 2.65Å
53	L	83.6	Confident	85	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.7	178.8	-161.1	62.7	0	0	0	113.2	L49 A50 E51 R55 R58 T60 L61 L94 V98 K108 F110	L49-L53 PolarHBondContact O-N 3.04Å; A50-L53 WeakPolarHBondContact O-CB 3.34Å; A50-L53 PolarHBondContact O-N 3.44Å; A50-L53 VanDerWaalsContact O-N 3.1Å; E51-L53 PolarHBondContact O-N 2.96Å; L53-R55 VanDerWaalsContact C-N 3.25Å; L53-R55 PolarHBondContact O-N 3.36Å; L53-R58 HydrophobicContact CD1-CB 4.25Å; L53-T60 VanDerWaalsContact CD1-O 3.3Å; L53-T60 WeakPolarHBondContact CD1-O 3.49Å; L53-L61 HydrophobicContact CD2-CB 4.2Å; L53-L94 HydrophobicContact CD2-CD1 4.45Å; L53-L94 HydrophobicContact CD2-CD2 4.32Å; L53-V98 HydrophobicContact CD2-CG2 4.22Å; L53-K108 PolarHBondContact O-NZ 3.29Å; L53-F110 HydrophobicContact CD1-CD1 4.17Å; L53-F110 HydrophobicContact CD2-CB 4.42Å; L53-F110 HydrophobicContact CD2-CD1 3.44Å; L53-F110 VanDerWaalsContact CD2-CD1 3.44Å; L53-F110 HydrophobicContact CD2-CE1 3.9Å; L53-F110 HydrophobicContact CD2-CG 4.07Å; L53-F110 HydrophobicContact CG-CD1 3.58Å; L53-F110 HydrophobicContact CG-CE1 3.71Å
54	I	80.5	Confident	85.4	Confident	68 Å²	68	58.2 Å²	58.2	35%	0.349	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.2	176.2	-155.4	170.9	0	0	0	112	E51 E52 K102 I104	E51-I54 WeakPolarHBondContact O-CB 3.44Å; E51-I54 WeakPolarHBondContact O-CG2 3.42Å; E51-I54 PolarHBondContact O-N 3.13Å; E52-I54 PolarHBondContact O-N 3.44Å; I54-K102 HydrophobicContact CD1-CB 3.81Å; I54-K102 HydrophobicContact CD1-CG 3.49Å; I54-K102 VanDerWaalsContact CD1-CG 3.49Å; I54-I104 HydrophobicContact CG1-CG2 4.28Å
55	R	82.8	Confident	85.9	Confident	138 Å²	138	56.1 Å²	56.1	52%	0.521	28%	0.276	S	S	.	.	S	Bend	trans	-55.1	139.2	179.1	-63.7	-173.5	-170.6	-166.6	9.4	109.6	E52 L53 E57 R58 K108	E52-R55 VanDerWaalsContact CD-NH2 3.3Å; E52-R55 WeakPolarHBondContact O-CG 3.4Å; E52-R55 PolarHBondContact O-N 3.13Å; E52-R55 IonicContact OE1-CZ 2.99Å; E52-R55 IonicContact OE1-NE 2.78Å; E52-R55 IonicContact OE1-NH2 2.69Å; E52-R55 PolarHBondContact OE1-NH2 3.31Å; E52-R55 IonicContact OE2-CZ 3.75Å; E52-R55 IonicContact OE2-NE 3.27Å; E52-R55 PolarHBondContact OE2-NE 2.94Å; E52-R55 IonicContact OE2-NH1 3.34Å; E52-R55 IonicContact OE2-NH2 3.83Å; E52-R55 PolarHBondContact OE2-NH2 2.65Å; L53-R55 VanDerWaalsContact C-N 3.25Å; L53-R55 PolarHBondContact O-N 3.36Å; R55-E57 PolarHBondContact O-N 3.13Å; R55-R58 HydrophobicContact CB-CG 4.36Å; R55-R58 PolarHBondContact O-N 2.86Å; R55-R58 VanDerWaalsContact O-N 3.15Å; R55-K108 PolarHBondContact O-NZ 2.96Å
56	P	77.6	Confident	86.2	Confident	120 Å²	120	55.4 Å²	55.4	78%	0.779	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.7	-169.7	22.1	-32.7	0	0	0	112.9
57	E	80.4	Confident	86.4	Confident	179 Å²	179	56.2 Å²	56.2	84%	0.836	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.8	-176.9	-63.5	173.4	-179.5	0	0	113.9	R55	R55-E57 PolarHBondContact O-N 3.13Å
58	R	84.9	Confident	86.6	Confident	65 Å²	65	53.4 Å²	53.4	25%	0.245	27%	0.267	C	S	.	.			trans	-101	131.5	-177	-63.9	-64.3	-59.7	-98.9	11.6	110.9	L53 R55 K108 E231	L53-R58 HydrophobicContact CD1-CB 4.25Å; R55-R58 HydrophobicContact CB-CG 4.36Å; R55-R58 PolarHBondContact O-N 2.86Å; R55-R58 VanDerWaalsContact O-N 3.15Å; R58-K108 WeakPolarHBondContact O-CE 3.4Å; R58-K108 PolarHBondContact O-NZ 3.27Å; R58-E231 VanDerWaalsContact CD-OE1 3.31Å; R58-E231 WeakPolarHBondContact CD-OE1 3.3Å; R58-E231 IonicContact CZ-OE1 2.81Å; R58-E231 IonicContact CZ-OE2 3.62Å; R58-E231 IonicContact NE-OE1 2.59Å; R58-E231 PolarHBondContact NE-OE1 2.69Å; R58-E231 IonicContact NE-OE2 3.86Å; R58-E231 PolarHBondContact NE-OE2 2.95Å; R58-E231 IonicContact NH2-OE1 3.88Å; R58-E231 PolarHBondContact NH2-OE1 3.43Å; R58-E231 IonicContact NH2-OE2 2.62Å
59	N	87.9	Confident	87	Confident	39 Å²	39	51.4 Å²	51.4	21%	0.209	26%	0.257	C	S	.	.			trans	-141.7	2.4	177.2	65.1	10.4	0	0	0	114.1	F110 Y111	N59-F110 CarbonylContact O-C 3.56Å; N59-F110 VanDerWaalsContact O-CA 3.25Å; N59-F110 WeakPolarHBondContact O-CA 3.14Å; N59-Y111 PolarHBondContact O-N 3.28Å
60	T	90.4	Very high	87.3	Confident	16 Å²	16	55.2 Å²	55.2	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	175.4	66.8	0	0	0	0	111.9	L53 Y111 A230 E231	L53-T60 VanDerWaalsContact CD1-O 3.3Å; L53-T60 WeakPolarHBondContact CD1-O 3.49Å; T60-Y111 WeakPolarHBondContact CA-O 3.48Å; T60-A230 HydrophobicContact CG2-CB 4.05Å; T60-E231 HydrophobicContact CG2-CB 3.44Å; T60-E231 VanDerWaalsContact CG2-CB 3.44Å; T60-E231 PolarHBondContact N-OE2 3.04Å; T60-E231 VanDerWaalsContact OG1-CD 3.3Å; T60-E231 PolarHBondContact OG1-OE2 2.83Å
61	L	91.8	Very high	87.6	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123	166.7	-176.1	68.4	0	0	0	108.9	L34 L49 L53 V63 L94 Y111 A113	L34-L61 HydrophobicContact CD2-CD2 4Å; L49-L61 HydrophobicContact CB-CD1 3.69Å; L53-L61 HydrophobicContact CD2-CB 4.2Å; L61-V63 HydrophobicContact CD2-CG2 4.07Å; L61-V63 HydrophobicContact CG-CG2 4.13Å; L61-L94 HydrophobicContact CB-CD1 4.21Å; L61-L94 HydrophobicContact CB-CD2 3.67Å; L61-L94 HydrophobicContact CD2-CD1 3.51Å; L61-L94 HydrophobicContact CD2-CD2 4.38Å; L61-L94 HydrophobicContact CG-CD1 4.47Å; L61-Y111 PolarHBondContact N-O 3.05Å; L61-A113 PolarHBondContact O-N 3.23Å
62	V	90.8	Very high	88	Confident	49 Å²	49	55.9 Å²	55.9	30%	0.297	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.5	176.5	-173.8	0	0	0	0	109.4	A113 Q115	V62-A113 CarbonylContact C-O 3.54Å; V62-A113 WeakPolarHBondContact CA-O 3.29Å; V62-A113 HydrophobicContact CG2-CB 4.29Å; V62-Q115 HydrophobicContact CG1-CB 4.13Å; V62-Q115 HydrophobicContact CG1-CG 3.7Å
63	V	92.3	Very high	88.5	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.9	-176.9	-179.9	0	0	0	0	109.2	F30 F33 Y46 L61 V112 A113 F114 Q115	F30-V63 HydrophobicContact CZ-CG2 4.43Å; F33-V63 HydrophobicContact CE1-CG1 3.74Å; F33-V63 HydrophobicContact CZ-CG1 4.17Å; Y46-V63 HydrophobicContact CD1-CG2 4.48Å; Y46-V63 HydrophobicContact CE1-CB 4.28Å; Y46-V63 HydrophobicContact CE1-CG1 4.13Å; Y46-V63 HydrophobicContact CE1-CG2 4.18Å; L61-V63 HydrophobicContact CD2-CG2 4.07Å; L61-V63 HydrophobicContact CG-CG2 4.13Å; V63-V112 HydrophobicContact CB-CG1 4.47Å; V63-V112 HydrophobicContact CG2-CG1 4.06Å; V63-A113 PolarHBondContact N-O 2.84Å; V63-F114 HydrophobicContact CB-CD1 4.32Å; V63-F114 HydrophobicContact CB-CE1 4.32Å; V63-F114 HydrophobicContact CG1-CD1 4.41Å; V63-F114 HydrophobicContact CG1-CE1 4.19Å; V63-F114 WeakPolarHBondContact O-CA 3.19Å; V63-Q115 PolarHBondContact O-N 3.31Å
64	S	91.7	Very high	88.8	Confident	8 Å²	8	65.4 Å²	65.4	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.7	175.9	-171.9	0	0	0	0	109.9	Y46 V66 D67 L68 D116	Y46-S64 PolarHBondContact OH-N 3.46Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 3.05Å; S64-D67 PolarHBondContact O-N 3.04Å; S64-L68 PolarHBondContact O-N 3.4Å; S64-D116 PolarHBondContact OG-OD2 3.33Å
65	F	92.8	Very high	89.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-30.3	-180	-163.6	-99.9	0	0	0	112	L68 E69 I79 Q80 F114 Q115 L117 L134	F65-L68 WeakPolarHBondContact O-CB 3.41Å; F65-L68 PolarHBondContact O-N 3.08Å; F65-E69 HydrophobicContact CD1-CG 4.07Å; F65-E69 WeakPolarHBondContact CD1-OE1 3.4Å; F65-E69 HydrophobicContact CE1-CG 3.95Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.25Å; F65-E69 PolarHBondContact O-N 3.24Å; F65-I79 HydrophobicContact CE2-CG2 4.31Å; F65-Q80 HydrophobicContact CZ-CB 4.17Å; F65-F114 HydrophobicContact CD2-CD1 4.13Å; F65-Q115 WeakPolarHBondContact CB-O 3.46Å; F65-Q115 PolarHBondContact N-O 2.95Å; F65-L117 HydrophobicContact CB-CD1 3.94Å; F65-L117 HydrophobicContact CB-CG 4.45Å; F65-L117 HydrophobicContact CD1-CG 4.39Å; F65-L117 HydrophobicContact CD2-CD1 4.41Å; F65-L117 HydrophobicContact CG-CD1 4.12Å; F65-L117 HydrophobicContact CG-CG 4.29Å; F65-L134 HydrophobicContact CD2-CD2 4.13Å; F65-L134 HydrophobicContact CE2-CD2 3.96Å
66	V	91.9	Very high	89.8	Confident	54 Å²	54	55.9 Å²	55.9	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.2	179.6	0	0	0	0	111.3	S64 L68 E69 Q70 D116	S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 3.05Å; V66-L68 VanDerWaalsContact C-N 3.26Å; V66-L68 PolarHBondContact O-N 2.96Å; V66-E69 PolarHBondContact O-N 3.43Å; V66-Q70 WeakPolarHBondContact O-CG 3.27Å; V66-Q70 PolarHBondContact O-N 3.17Å; V66-D116 HydrophobicContact CG2-CB 4.17Å; V66-D116 WeakPolarHBondContact CG2-O 3.37Å
67	D	91.4	Very high	90.6	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-39.3	176.4	-68	-6.5	0	0	0	111	F33 F37 K45 Y46 S64 Q70 F71	F33-D67 HydrophobicContact CE2-CB 4.5Å; F33-D67 HydrophobicContact CZ-CB 4.3Å; F37-D67 HydrophobicContact CD1-CB 4.48Å; F37-D67 HydrophobicContact CE1-CB 3.72Å; F37-D67 HydrophobicContact CE2-CB 3.96Å; F37-D67 WeakPolarHBondContact CE2-O 3.3Å; F37-D67 HydrophobicContact CZ-CB 3.41Å; F37-D67 VanDerWaalsContact CZ-CB 3.41Å; K45-D67 IonicContact NZ-OD1 3.84Å; K45-D67 IonicContact NZ-OD2 2.95Å; K45-D67 PolarHBondContact NZ-OD2 3.18Å; Y46-D67 WeakPolarHBondContact OH-CB 3.35Å; Y46-D67 PolarHBondContact OH-OD2 2.98Å; S64-D67 PolarHBondContact O-N 3.04Å; D67-Q70 PolarHBondContact O-N 3.23Å; D67-F71 PolarHBondContact O-N 3.44Å; D67-F71 VanDerWaalsContact O-N 3.12Å
68	L	91.2	Very high	91.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-39.8	178.6	-162.4	152.3	0	0	0	111.8	F30 F33 S64 F65 V66 F71 N72 L75 S76 I79 F114	F30-L68 HydrophobicContact CD2-CD1 4.01Å; F30-L68 HydrophobicContact CE2-CD1 3.82Å; F33-L68 HydrophobicContact CD1-CD1 4.44Å; F33-L68 HydrophobicContact CE1-CB 4.49Å; F33-L68 HydrophobicContact CE1-CD1 4.24Å; F33-L68 HydrophobicContact CE1-CG 4.44Å; F33-L68 HydrophobicContact CE2-CB 4.3Å; F33-L68 HydrophobicContact CZ-CB 4.04Å; F33-L68 HydrophobicContact CZ-CG 4.39Å; S64-L68 PolarHBondContact O-N 3.4Å; F65-L68 WeakPolarHBondContact O-CB 3.41Å; F65-L68 PolarHBondContact O-N 3.08Å; V66-L68 VanDerWaalsContact C-N 3.26Å; V66-L68 PolarHBondContact O-N 2.96Å; L68-F71 PolarHBondContact O-N 3.43Å; L68-N72 CarbonylContact O-C 3.56Å; L68-N72 PolarHBondContact O-N 3.26Å; L68-L75 HydrophobicContact CD1-CD2 4.48Å; L68-L75 HydrophobicContact CD2-CB 4.22Å; L68-L75 HydrophobicContact CD2-CD2 4.11Å; L68-L75 HydrophobicContact CD2-CG 4.01Å; L68-L75 HydrophobicContact CG-CD2 4.32Å; L68-S76 WeakPolarHBondContact CD2-OG 3.43Å; L68-S76 PolarHBondContact O-OG 3.28Å; L68-I79 HydrophobicContact CD1-CD1 3.83Å; L68-I79 HydrophobicContact CD2-CD1 4.24Å; L68-F114 HydrophobicContact CD1-CE1 3.89Å
69	E	90.9	Very high	91.6	Very high	70 Å²	70	44 Å²	44	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-40.6	171.8	-74.7	-178.4	178	0	0	113	F65 V66 S76	F65-E69 HydrophobicContact CD1-CG 4.07Å; F65-E69 WeakPolarHBondContact CD1-OE1 3.4Å; F65-E69 HydrophobicContact CE1-CG 3.95Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.25Å; F65-E69 PolarHBondContact O-N 3.24Å; V66-E69 PolarHBondContact O-N 3.43Å; E69-S76 VanDerWaalsContact CA-OG 3.22Å; E69-S76 WeakPolarHBondContact CA-OG 3.11Å; E69-S76 WeakPolarHBondContact CG-OG 3.32Å; E69-S76 PolarHBondContact N-OG 3.3Å
70	Q	89.8	Confident	91.8	Very high	142 Å²	142	44.6 Å²	44.6	66%	0.664	23%	0.226	S	C	*	.	H	α-helix	trans	-66.1	-38.8	178.4	-72	178.7	17.6	0	0	112.3	V66 D67	V66-Q70 WeakPolarHBondContact O-CG 3.27Å; V66-Q70 PolarHBondContact O-N 3.17Å; D67-Q70 PolarHBondContact O-N 3.23Å
71	F	90.9	Very high	91.9	Very high	83 Å²	83	48.2 Å²	48.2	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-75.4	-49.3	178.5	-175.4	-102.7	0	0	0	112.2	F33 E36 F37 D67 L68	F33-F71 HydrophobicContact CB-CD1 3.77Å; F33-F71 HydrophobicContact CB-CE1 3.78Å; F33-F71 HydrophobicContact CD2-CB 3.66Å; F33-F71 AromaticContact CD2-CD1 3.65Å; F33-F71 HydrophobicContact CD2-CD1 3.65Å; F33-F71 HydrophobicContact CD2-CD2 4.46Å; F33-F71 HydrophobicContact CD2-CE1 4.39Å; F33-F71 AromaticContact CD2-CG 3.69Å; F33-F71 HydrophobicContact CD2-CG 3.69Å; F33-F71 HydrophobicContact CE2-CB 4Å; F33-F71 HydrophobicContact CE2-CG 4.47Å; F33-F71 HydrophobicContact CG-CD1 4.18Å; E36-F71 HydrophobicContact CB-CE2 3.98Å; E36-F71 HydrophobicContact CB-CZ 4.13Å; F37-F71 HydrophobicContact CD2-CB 4.09Å; F37-F71 HydrophobicContact CD2-CD2 4.42Å; D67-F71 PolarHBondContact O-N 3.44Å; D67-F71 VanDerWaalsContact O-N 3.12Å; L68-F71 PolarHBondContact O-N 3.43Å
72	N	92.6	Very high	91.9	Very high	37 Å²	37	52.6 Å²	52.6	20%	0.198	26%	0.262	C	S	.	.			trans	-153.9	99.9	-174.3	-168.2	-27.9	0	0	0	113.6	L68 Q74 L75 S76	L68-N72 CarbonylContact O-C 3.56Å; L68-N72 PolarHBondContact O-N 3.26Å; N72-Q74 VanDerWaalsContact C-N 3.33Å; N72-Q74 PolarHBondContact O-N 2.93Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.28Å; N72-Q74 PolarHBondContact OD1-N 3.29Å; N72-L75 HydrophobicContact CB-CB 3.97Å; N72-L75 WeakPolarHBondContact O-CB 3.47Å; N72-L75 PolarHBondContact O-N 2.99Å; N72-L75 PolarHBondContact OD1-N 3.49Å; N72-L75 VanDerWaalsContact OD1-N 3.14Å; N72-S76 PolarHBondContact O-N 2.95Å; N72-S76 VanDerWaalsContact O-N 3.15Å; N72-S76 PolarHBondContact O-OG 2.82Å
73	Q	91.6	Very high	92.1	Very high	144 Å²	144	50.5 Å²	50.5	67%	0.673	25%	0.249	S	C	*	.	H	α-helix	trans	-62.4	-32.5	178.2	-168.5	176.2	24.1	0	0	114.6	L75 S76 T77	Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-S76 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-N 2.97Å; Q73-T77 PolarHBondContact O-OG1 3.46Å
74	Q	91.8	Very high	92.1	Very high	139 Å²	139	55.8 Å²	55.8	65%	0.65	27%	0.27	S	S	*	.	H	α-helix	trans	-68.3	-37.8	178.5	-66.5	-67.8	-47	0	0	110.9	N72 T78	N72-Q74 VanDerWaalsContact C-N 3.33Å; N72-Q74 PolarHBondContact O-N 2.93Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.28Å; N72-Q74 PolarHBondContact OD1-N 3.29Å; Q74-T78 PolarHBondContact O-N 3.12Å; Q74-T78 VanDerWaalsContact O-N 3.14Å; Q74-T78 PolarHBondContact O-OG1 3.45Å
75	L	91.6	Very high	92	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-47.2	174.5	-175	63.5	0	0	0	110.7	C26 L29 F30 L68 N72 Q73 T77 T78 I79	C26-L75 HydrophobicContact CB-CD1 4.38Å; C26-L75 WeakPolarHBondContact SG-CD1 3.49Å; L29-L75 HydrophobicContact CB-CD1 3.99Å; L29-L75 HydrophobicContact CB-CD2 4.23Å; F30-L75 HydrophobicContact CB-CD2 4.32Å; F30-L75 HydrophobicContact CD2-CD2 4.36Å; L68-L75 HydrophobicContact CD1-CD2 4.48Å; L68-L75 HydrophobicContact CD2-CB 4.22Å; L68-L75 HydrophobicContact CD2-CD2 4.11Å; L68-L75 HydrophobicContact CD2-CG 4.01Å; L68-L75 HydrophobicContact CG-CD2 4.32Å; N72-L75 HydrophobicContact CB-CB 3.97Å; N72-L75 WeakPolarHBondContact O-CB 3.47Å; N72-L75 PolarHBondContact O-N 2.99Å; N72-L75 PolarHBondContact OD1-N 3.49Å; N72-L75 VanDerWaalsContact OD1-N 3.14Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.35Å; L75-T78 PolarHBondContact O-N 3.44Å; L75-T78 VanDerWaalsContact O-N 3.15Å; L75-I79 HydrophobicContact CD1-CD1 4.09Å; L75-I79 HydrophobicContact CD1-CG1 4.33Å; L75-I79 HydrophobicContact CD2-CD1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 HydrophobicContact CG-CG1 4.44Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.96Å
76	S	92.3	Very high	92.1	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-46.7	177.6	-49.2	0	0	0	0	112.3	L68 E69 N72 Q73 T78 I79 Q80	L68-S76 WeakPolarHBondContact CD2-OG 3.43Å; L68-S76 PolarHBondContact O-OG 3.28Å; E69-S76 VanDerWaalsContact CA-OG 3.22Å; E69-S76 WeakPolarHBondContact CA-OG 3.11Å; E69-S76 WeakPolarHBondContact CG-OG 3.32Å; E69-S76 PolarHBondContact N-OG 3.3Å; N72-S76 PolarHBondContact O-N 2.95Å; N72-S76 VanDerWaalsContact O-N 3.15Å; N72-S76 PolarHBondContact O-OG 2.82Å; Q73-S76 PolarHBondContact O-N 3.25Å; S76-T78 VanDerWaalsContact C-N 3.32Å; S76-T78 PolarHBondContact O-N 3.47Å; S76-I79 PolarHBondContact O-N 3.45Å; S76-Q80 VanDerWaalsContact O-CB 3.3Å; S76-Q80 WeakPolarHBondContact O-CB 3.42Å; S76-Q80 PolarHBondContact O-N 3.39Å
77	T	93.1	Very high	92.1	Very high	69 Å²	69	60.6 Å²	60.6	42%	0.423	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-42.1	179.5	-50.9	0	0	0	0	111	Q73 L75 Q80 E81	Q73-T77 PolarHBondContact O-N 2.97Å; Q73-T77 PolarHBondContact O-OG1 3.46Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.35Å; T77-Q80 PolarHBondContact O-N 2.94Å; T77-E81 HydrophobicContact CG2-CG 4.5Å; T77-E81 WeakPolarHBondContact O-CG 3.39Å; T77-E81 PolarHBondContact O-N 3.5Å
78	T	93.5	Very high	92.1	Very high	46 Å²	46	62.3 Å²	62.3	28%	0.282	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-43.4	178	-53.2	0	0	0	0	111.6	V22 Q74 L75 S76 Q80 E82	V22-T78 HydrophobicContact CG1-CG2 4.23Å; Q74-T78 PolarHBondContact O-N 3.12Å; Q74-T78 VanDerWaalsContact O-N 3.14Å; Q74-T78 PolarHBondContact O-OG1 3.45Å; L75-T78 PolarHBondContact O-N 3.44Å; L75-T78 VanDerWaalsContact O-N 3.15Å; S76-T78 VanDerWaalsContact C-N 3.32Å; S76-T78 PolarHBondContact O-N 3.47Å; T78-Q80 VanDerWaalsContact C-N 3.35Å; T78-E82 PolarHBondContact O-N 2.85Å
79	I	93.6	Very high	92.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-37.4	178.2	-68.2	177.3	0	0	0	110.9	F30 F65 L68 L75 S76 F83 V86 L90 F114 L134	F30-I79 HydrophobicContact CD2-CD1 4.36Å; F65-I79 HydrophobicContact CE2-CG2 4.31Å; L68-I79 HydrophobicContact CD1-CD1 3.83Å; L68-I79 HydrophobicContact CD2-CD1 4.24Å; L75-I79 HydrophobicContact CD1-CD1 4.09Å; L75-I79 HydrophobicContact CD1-CG1 4.33Å; L75-I79 HydrophobicContact CD2-CD1 4.48Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 HydrophobicContact CG-CG1 4.44Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 2.96Å; S76-I79 PolarHBondContact O-N 3.45Å; I79-F83 HydrophobicContact CG2-CD2 3.92Å; I79-F83 HydrophobicContact CG2-CE2 4.42Å; I79-F83 WeakPolarHBondContact O-CA 3.17Å; I79-F83 WeakPolarHBondContact O-CB 3.45Å; I79-F83 PolarHBondContact O-N 3.38Å; I79-V86 HydrophobicContact CG1-CG2 4.42Å; I79-L90 HydrophobicContact CD1-CD1 4.24Å; I79-L90 HydrophobicContact CD1-CD2 4.23Å; I79-L90 HydrophobicContact CG1-CD1 4.38Å; I79-L90 HydrophobicContact CG2-CD1 4.48Å; I79-F114 HydrophobicContact CD1-CZ 4.32Å; I79-F114 HydrophobicContact CG2-CE2 4.27Å; I79-F114 HydrophobicContact CG2-CZ 4.11Å; I79-L134 HydrophobicContact CG2-CD2 4.42Å
80	Q	93.1	Very high	92.3	Very high	52 Å²	52	61.3 Å²	61.3	24%	0.243	29%	0.288	C	S	.	.	H	α-helix	trans	-71.3	-41.5	-178.3	-170.6	171.7	-5.1	0	0	112.6	F65 S76 T77 T78 L133 L134	F65-Q80 HydrophobicContact CZ-CB 4.17Å; S76-Q80 VanDerWaalsContact O-CB 3.3Å; S76-Q80 WeakPolarHBondContact O-CB 3.42Å; S76-Q80 PolarHBondContact O-N 3.39Å; T77-Q80 PolarHBondContact O-N 2.94Å; T78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-L133 WeakPolarHBondContact O-CA 3.5Å; Q80-L134 PolarHBondContact O-N 2.98Å
81	E	91.8	Very high	92.3	Very high	92 Å²	92	55.4 Å²	55.4	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-81.5	-41.4	-178.9	-63.8	-62.9	159.7	0	0	112.5	T77 L133	T77-E81 HydrophobicContact CG2-CG 4.5Å; T77-E81 WeakPolarHBondContact O-CG 3.39Å; T77-E81 PolarHBondContact O-N 3.5Å; E81-L133 WeakPolarHBondContact O-CD2 3.41Å
82	E	91.8	Very high	92.3	Very high	95 Å²	95	57.3 Å²	57.3	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	-115.1	35.4	-172.2	-66.4	-68.8	164.2	0	0	112.5	T78 Y84 R85 V86	T78-E82 PolarHBondContact O-N 2.85Å; E82-Y84 PolarHBondContact O-N 3.28Å; E82-R85 PolarHBondContact O-N 2.82Å; E82-V86 WeakPolarHBondContact O-CG2 3.43Å; E82-V86 PolarHBondContact O-N 2.89Å; E82-V86 VanDerWaalsContact O-N 3.11Å
83	F	93.9	Very high	92.3	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-51.9	-52.7	-172.6	-175.1	-107.6	0	0	0	113	I79 R85 V86 Y87 F114 G132 L134 T247	I79-F83 HydrophobicContact CG2-CD2 3.92Å; I79-F83 HydrophobicContact CG2-CE2 4.42Å; I79-F83 WeakPolarHBondContact O-CA 3.17Å; I79-F83 WeakPolarHBondContact O-CB 3.45Å; I79-F83 PolarHBondContact O-N 3.38Å; F83-R85 PolarHBondContact O-N 3.27Å; F83-V86 PolarHBondContact O-N 3.03Å; F83-Y87 AromaticContact CE1-CD2 3.84Å; F83-Y87 HydrophobicContact CE1-CD2 3.84Å; F83-Y87 HydrophobicContact CE1-CE2 4.35Å; F83-Y87 HydrophobicContact CE1-CG 4.31Å; F83-Y87 AromaticContact CE2-CD2 3.81Å; F83-Y87 HydrophobicContact CE2-CD2 3.81Å; F83-Y87 HydrophobicContact CE2-CE2 4.45Å; F83-Y87 AromaticContact CZ-CD2 3.29Å; F83-Y87 HydrophobicContact CZ-CD2 3.29Å; F83-Y87 AromaticContact CZ-CE2 3.7Å; F83-Y87 HydrophobicContact CZ-CE2 3.7Å; F83-Y87 HydrophobicContact CZ-CG 4.17Å; F83-Y87 VanDerWaalsContact O-CB 3.23Å; F83-Y87 WeakPolarHBondContact O-CB 3.33Å; F83-Y87 PolarHBondContact O-N 3.2Å; F83-F114 AromaticContact CE2-CD2 3.58Å; F83-F114 HydrophobicContact CE2-CD2 3.58Å; F83-F114 AromaticContact CE2-CE2 3.58Å; F83-F114 HydrophobicContact CE2-CE2 3.58Å; F83-F114 HydrophobicContact CZ-CD2 4.15Å; F83-F114 HydrophobicContact CZ-CE2 4.37Å; F83-G132 WeakPolarHBondContact CB-O 3.49Å; F83-G132 PolarHBondContact N-O 3.21Å; F83-L134 HydrophobicContact CB-CB 4.03Å; F83-L134 HydrophobicContact CD1-CD1 4.13Å; F83-L134 HydrophobicContact CD2-CB 4.12Å; F83-L134 HydrophobicContact CD2-CD1 3.86Å; F83-L134 HydrophobicContact CD2-CD2 4.27Å; F83-L134 HydrophobicContact CD2-CG 4.3Å; F83-L134 HydrophobicContact CE1-CD1 4.06Å; F83-L134 HydrophobicContact CE2-CD1 3.79Å; F83-L134 HydrophobicContact CE2-CD2 4.42Å; F83-L134 HydrophobicContact CG-CB 4.05Å; F83-L134 HydrophobicContact CG-CD1 4.02Å; F83-L134 HydrophobicContact CZ-CD1 3.87Å; F83-T247 HydrophobicContact CD1-CG2 3.9Å; F83-T247 HydrophobicContact CE1-CG2 4.16Å
84	Y	92.1	Very high	92.2	Very high	112 Å²	112	48.7 Å²	48.7	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-34.2	-174.8	-171.5	-100.5	0	0	0	112.8	E82 G132 T247 I249	E82-Y84 PolarHBondContact O-N 3.28Å; Y84-G132 PolarHBondContact N-O 3.29Å; Y84-G132 VanDerWaalsContact N-O 3.16Å; Y84-T247 HydrophobicContact CD2-CG2 4.26Å; Y84-I249 HydrophobicContact CD2-CG2 4.07Å; Y84-I249 HydrophobicContact CE2-CG2 3.99Å
85	R	91.4	Very high	92.1	Very high	108 Å²	108	43.9 Å²	43.9	41%	0.408	20%	0.202	S	C	.	.	H	α-helix	trans	-74.8	-42.7	179.4	179.5	179	167	-166.3	-3.2	112	D20 E82 F83	D20-R85 IonicContact OD1-CZ 3.76Å; D20-R85 IonicContact OD1-NE 2.66Å; D20-R85 IonicContact OD1-NH2 3.34Å; D20-R85 PolarHBondContact OD1-NH2 3.09Å; D20-R85 IonicContact OD2-CZ 3.57Å; D20-R85 VanDerWaalsContact OD2-CZ 3.3Å; D20-R85 IonicContact OD2-NE 2.7Å; D20-R85 PolarHBondContact OD2-NE 3.33Å; D20-R85 IonicContact OD2-NH2 2.76Å; D20-R85 PolarHBondContact OD2-NH2 3.39Å; E82-R85 PolarHBondContact O-N 2.82Å; F83-R85 PolarHBondContact O-N 3.27Å
86	V	93.6	Very high	92	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-85	-19.5	-176.5	-56.7	0	0	0	0	113.4	C26 I79 E82 F83 Y89 L90	C26-V86 HydrophobicContact CB-CG1 4.39Å; I79-V86 HydrophobicContact CG1-CG2 4.42Å; E82-V86 WeakPolarHBondContact O-CG2 3.43Å; E82-V86 PolarHBondContact O-N 2.89Å; E82-V86 VanDerWaalsContact O-N 3.11Å; F83-V86 PolarHBondContact O-N 3.03Å; V86-Y89 WeakPolarHBondContact O-CA 3.49Å; V86-Y89 WeakPolarHBondContact O-CB 3.34Å; V86-Y89 PolarHBondContact O-N 3.3Å; V86-L90 HydrophobicContact CG2-CD1 4.19Å; V86-L90 HydrophobicContact CG2-CG 4.48Å; V86-L90 PolarHBondContact O-N 3.38Å
87	Y	92.9	Very high	91.8	Very high	54 Å²	54	46.4 Å²	46.4	21%	0.212	22%	0.217	C	C	.	.	H	α-helix	trans	-52.6	-46.1	-175.1	-175.1	-104.1	0	0	0	115	F83 Y89 L90 C91 V112	F83-Y87 AromaticContact CE1-CD2 3.84Å; F83-Y87 HydrophobicContact CE1-CD2 3.84Å; F83-Y87 HydrophobicContact CE1-CE2 4.35Å; F83-Y87 HydrophobicContact CE1-CG 4.31Å; F83-Y87 AromaticContact CE2-CD2 3.81Å; F83-Y87 HydrophobicContact CE2-CD2 3.81Å; F83-Y87 HydrophobicContact CE2-CE2 4.45Å; F83-Y87 AromaticContact CZ-CD2 3.29Å; F83-Y87 HydrophobicContact CZ-CD2 3.29Å; F83-Y87 AromaticContact CZ-CE2 3.7Å; F83-Y87 HydrophobicContact CZ-CE2 3.7Å; F83-Y87 HydrophobicContact CZ-CG 4.17Å; F83-Y87 VanDerWaalsContact O-CB 3.23Å; F83-Y87 WeakPolarHBondContact O-CB 3.33Å; F83-Y87 PolarHBondContact O-N 3.2Å; Y87-Y89 PolarHBondContact O-N 2.99Å; Y87-L90 PolarHBondContact O-N 3.01Å; Y87-C91 PolarHBondContact O-N 2.97Å; Y87-C91 VanDerWaalsContact O-N 3.14Å; Y87-C91 PolarHBondContact O-SG 3.36Å; Y87-V112 WeakPolarHBondContact CE2-O 3.43Å; Y87-V112 PolarHBondContact OH-O 2.91Å
88	P	90.9	Very high	91.6	Very high	56 Å²	56	43.5 Å²	43.5	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-60.6	-31.8	176.7	-23.2	35.1	0	0	0	113.3	R92	P88-R92 WeakPolarHBondContact O-CG 3.36Å; P88-R92 PolarHBondContact O-N 3.14Å
89	Y	92.3	Very high	91.1	Very high	49 Å²	49	45.8 Å²	45.8	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-75.5	-36	178.4	-63.6	-94.5	0	0	0	111.7	A23 V86 Y87 C91 R92 A93	A23-Y89 HydrophobicContact CB-CD1 4.06Å; A23-Y89 HydrophobicContact CB-CD2 3.53Å; A23-Y89 HydrophobicContact CB-CE1 4.05Å; A23-Y89 HydrophobicContact CB-CE2 3.5Å; A23-Y89 VanDerWaalsContact CB-CE2 3.5Å; A23-Y89 HydrophobicContact CB-CG 3.8Å; V86-Y89 WeakPolarHBondContact O-CA 3.49Å; V86-Y89 WeakPolarHBondContact O-CB 3.34Å; V86-Y89 PolarHBondContact O-N 3.3Å; Y87-Y89 PolarHBondContact O-N 2.99Å; Y89-C91 VanDerWaalsContact C-N 3.34Å; Y89-C91 PolarHBondContact O-N 3.06Å; Y89-R92 WeakPolarHBondContact O-CB 3.4Å; Y89-R92 PolarHBondContact O-N 2.92Å; Y89-R92 VanDerWaalsContact O-N 3.16Å; Y89-A93 PolarHBondContact O-N 3.38Å
90	L	93.3	Very high	90.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-43	172.5	-60	178.2	0	0	0	111.5	F30 I79 V86 Y87 R92 A93 L94 V112 F114	F30-L90 HydrophobicContact CB-CD2 3.8Å; F30-L90 HydrophobicContact CD1-CB 4.46Å; F30-L90 HydrophobicContact CD1-CD2 3.83Å; F30-L90 HydrophobicContact CD2-CD2 4.01Å; F30-L90 HydrophobicContact CE1-CB 4.43Å; F30-L90 HydrophobicContact CE1-CD2 4.39Å; F30-L90 HydrophobicContact CG-CD2 3.6Å; I79-L90 HydrophobicContact CD1-CD1 4.24Å; I79-L90 HydrophobicContact CD1-CD2 4.23Å; I79-L90 HydrophobicContact CG1-CD1 4.38Å; I79-L90 HydrophobicContact CG2-CD1 4.48Å; V86-L90 HydrophobicContact CG2-CD1 4.19Å; V86-L90 HydrophobicContact CG2-CG 4.48Å; V86-L90 PolarHBondContact O-N 3.38Å; Y87-L90 PolarHBondContact O-N 3.01Å; L90-R92 VanDerWaalsContact C-N 3.3Å; L90-R92 PolarHBondContact O-N 3.19Å; L90-A93 WeakPolarHBondContact O-CB 3.43Å; L90-A93 PolarHBondContact O-N 2.93Å; L90-L94 PolarHBondContact O-N 3.49Å; L90-V112 HydrophobicContact CB-CG2 4.34Å; L90-F114 HydrophobicContact CD1-CE2 3.95Å; L90-F114 HydrophobicContact CD1-CZ 3.94Å
91	C	91.4	Very high	89.8	Confident	17 Å²	17	54.6 Å²	54.6	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-34.7	174.5	-63.2	0	0	0	0	112.5	Y87 Y89 K95 F110	Y87-C91 PolarHBondContact O-N 2.97Å; Y87-C91 VanDerWaalsContact O-N 3.14Å; Y87-C91 PolarHBondContact O-SG 3.36Å; Y89-C91 VanDerWaalsContact C-N 3.34Å; Y89-C91 PolarHBondContact O-N 3.06Å; C91-K95 WeakPolarHBondContact O-CB 3.31Å; C91-K95 PolarHBondContact O-N 2.74Å; C91-F110 WeakPolarHBondContact CB-O 3.37Å
92	R	90.1	Very high	88.9	Confident	123 Å²	123	56.3 Å²	56.3	46%	0.464	25%	0.25	S	S	.	.	H	α-helix	trans	-68.9	-42.1	173.7	-71.2	173.4	-168.8	174.6	3.2	111.9	P88 Y89 L90 L94 K95 T96	P88-R92 WeakPolarHBondContact O-CG 3.36Å; P88-R92 PolarHBondContact O-N 3.14Å; Y89-R92 WeakPolarHBondContact O-CB 3.4Å; Y89-R92 PolarHBondContact O-N 2.92Å; Y89-R92 VanDerWaalsContact O-N 3.16Å; L90-R92 VanDerWaalsContact C-N 3.3Å; L90-R92 PolarHBondContact O-N 3.19Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.2Å; R92-K95 PolarHBondContact O-N 3.48Å; R92-T96 PolarHBondContact O-N 2.87Å; R92-T96 PolarHBondContact O-OG1 3.4Å
93	A	91.8	Very high	88.2	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-48.4	173.4	0	0	0	0	0	110.9	Q27 F30 L31 Y89 L90 K95 T96 F97	Q27-A93 HydrophobicContact CG-CB 3.72Å; F30-A93 HydrophobicContact CD1-CB 3.93Å; L31-A93 HydrophobicContact CB-CB 4.45Å; Y89-A93 PolarHBondContact O-N 3.38Å; L90-A93 WeakPolarHBondContact O-CB 3.43Å; L90-A93 PolarHBondContact O-N 2.93Å; A93-K95 VanDerWaalsContact C-N 3.31Å; A93-K95 PolarHBondContact O-N 3.04Å; A93-T96 PolarHBondContact O-N 3.36Å; A93-T96 VanDerWaalsContact O-N 3.15Å; A93-F97 PolarHBondContact O-N 2.85Å
94	L	91.1	Very high	87.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-41	176.6	179.7	58.7	0	0	0	112.1	L34 L53 L61 L90 R92 T96 F97 V98 F110 V112	L34-L94 HydrophobicContact CD1-CD1 4.19Å; L53-L94 HydrophobicContact CD2-CD1 4.45Å; L53-L94 HydrophobicContact CD2-CD2 4.32Å; L61-L94 HydrophobicContact CB-CD1 4.21Å; L61-L94 HydrophobicContact CB-CD2 3.67Å; L61-L94 HydrophobicContact CD2-CD1 3.51Å; L61-L94 HydrophobicContact CD2-CD2 4.38Å; L61-L94 HydrophobicContact CG-CD1 4.47Å; L90-L94 PolarHBondContact O-N 3.49Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.2Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.48Å; L94-F97 HydrophobicContact CD1-CD1 4.31Å; L94-F97 WeakPolarHBondContact O-CB 3.24Å; L94-F97 PolarHBondContact O-N 2.81Å; L94-V98 HydrophobicContact CD1-CG2 4.16Å; L94-V98 WeakPolarHBondContact O-CG2 3.14Å; L94-V98 PolarHBondContact O-N 3.02Å; L94-F110 HydrophobicContact CD2-CB 3.6Å; L94-F110 HydrophobicContact CG-CB 3.94Å; L94-V112 HydrophobicContact CB-CG2 4.25Å; L94-V112 HydrophobicContact CD2-CG2 3.88Å
95	K	88.9	Confident	86.8	Confident	38 Å²	38	60.7 Å²	60.7	17%	0.165	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-39.4	176	-174.1	176.4	-64.2	-157.7	0	112.2	C91 R92 A93 K99 K108 D109 F110	C91-K95 WeakPolarHBondContact O-CB 3.31Å; C91-K95 PolarHBondContact O-N 2.74Å; R92-K95 PolarHBondContact O-N 3.48Å; A93-K95 VanDerWaalsContact C-N 3.31Å; A93-K95 PolarHBondContact O-N 3.04Å; K95-K99 HydrophobicContact CG-CD 4.43Å; K95-K99 WeakPolarHBondContact O-CB 3.1Å; K95-K99 VanDerWaalsContact O-CG 3.24Å; K95-K99 WeakPolarHBondContact O-CG 3.34Å; K95-K99 PolarHBondContact O-N 3.1Å; K95-K99 VanDerWaalsContact O-N 3.17Å; K95-K108 VanDerWaalsContact CE-O 3.25Å; K95-K108 WeakPolarHBondContact CE-O 3.46Å; K95-K108 PolarHBondContact NZ-O 3.05Å; K95-D109 IonicContact NZ-OD1 3.52Å; K95-D109 PolarHBondContact NZ-OD1 2.84Å; K95-F110 HydrophobicContact CB-CD2 4.24Å; K95-F110 HydrophobicContact CG-CD2 4.37Å
96	T	89	Confident	85.9	Confident	55 Å²	55	62.6 Å²	62.6	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-48.7	174.8	-57	0	0	0	0	110.7	L31 R92 A93 L94 V98 K99 D100	L31-T96 HydrophobicContact CD2-CG2 4.49Å; R92-T96 PolarHBondContact O-N 2.87Å; R92-T96 PolarHBondContact O-OG1 3.4Å; A93-T96 PolarHBondContact O-N 3.36Å; A93-T96 VanDerWaalsContact O-N 3.15Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.48Å; T96-V98 VanDerWaalsContact C-N 3.3Å; T96-V98 PolarHBondContact O-N 3.12Å; T96-K99 WeakPolarHBondContact O-CB 3.5Å; T96-K99 PolarHBondContact O-N 3.48Å; T96-D100 PolarHBondContact O-N 2.95Å; T96-D100 VanDerWaalsContact O-N 3.14Å
97	F	89	Confident	85	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-52.4	-45	178	179.8	-108.6	0	0	0	112.9	L31 L34 E35 L47 A50 A93 L94	L31-F97 HydrophobicContact CD1-CB 3.64Å; L31-F97 HydrophobicContact CD1-CD2 4.06Å; L31-F97 HydrophobicContact CD1-CG 4.32Å; L34-F97 HydrophobicContact CB-CD1 4.45Å; L34-F97 HydrophobicContact CB-CD2 3.97Å; L34-F97 HydrophobicContact CB-CE1 4.4Å; L34-F97 HydrophobicContact CB-CE2 3.92Å; L34-F97 HydrophobicContact CB-CG 4.23Å; L34-F97 HydrophobicContact CB-CZ 4.14Å; L34-F97 HydrophobicContact CD1-CB 4.32Å; L34-F97 HydrophobicContact CD1-CD1 4.28Å; L34-F97 HydrophobicContact CD1-CG 4.2Å; E35-F97 HydrophobicContact CB-CE2 4.5Å; E35-F97 HydrophobicContact CG-CD2 3.74Å; E35-F97 HydrophobicContact CG-CE2 3.58Å; L47-F97 HydrophobicContact CD1-CZ 4.24Å; A50-F97 HydrophobicContact CB-CD1 4.24Å; A50-F97 HydrophobicContact CB-CE1 3.64Å; A93-F97 PolarHBondContact O-N 2.85Å; L94-F97 HydrophobicContact CD1-CD1 4.31Å; L94-F97 WeakPolarHBondContact O-CB 3.24Å; L94-F97 PolarHBondContact O-N 2.81Å
98	V	87.3	Confident	84.5	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-72.2	-36.3	179.2	178.1	0	0	0	0	112.1	L53 L94 T96 D100 R101 K102 I104 F110	L53-V98 HydrophobicContact CD2-CG2 4.22Å; L94-V98 HydrophobicContact CD1-CG2 4.16Å; L94-V98 WeakPolarHBondContact O-CG2 3.14Å; L94-V98 PolarHBondContact O-N 3.02Å; T96-V98 VanDerWaalsContact C-N 3.3Å; T96-V98 PolarHBondContact O-N 3.12Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.09Å; V98-R101 PolarHBondContact O-N 3.16Å; V98-K102 PolarHBondContact O-N 2.85Å; V98-I104 HydrophobicContact CG1-CD1 4.05Å; V98-I104 HydrophobicContact CG1-CG2 3.87Å; V98-F110 HydrophobicContact CB-CE2 4.23Å; V98-F110 HydrophobicContact CB-CZ 4.46Å; V98-F110 HydrophobicContact CG1-CE2 4.17Å; V98-F110 HydrophobicContact CG1-CZ 3.95Å; V98-F110 HydrophobicContact CG2-CE2 4.48Å
99	K	84.9	Confident	84.2	Confident	93 Å²	93	64 Å²	64	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-36.4	179.4	-82.2	177.6	177.6	-176.3	0	113	K95 T96 R101 I104	K95-K99 HydrophobicContact CG-CD 4.43Å; K95-K99 WeakPolarHBondContact O-CB 3.1Å; K95-K99 VanDerWaalsContact O-CG 3.24Å; K95-K99 WeakPolarHBondContact O-CG 3.34Å; K95-K99 PolarHBondContact O-N 3.1Å; K95-K99 VanDerWaalsContact O-N 3.17Å; T96-K99 WeakPolarHBondContact O-CB 3.5Å; T96-K99 PolarHBondContact O-N 3.48Å; K99-R101 PolarHBondContact O-N 2.85Å; K99-I104 HydrophobicContact CG-CD1 3.89Å; K99-I104 HydrophobicContact CG-CG1 4.1Å
100	D	82.5	Confident	84	Confident	105 Å²	105	61.8 Å²	61.8	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.4	-176.3	-65.7	-23.3	0	0	0	112.6	T96 V98	T96-D100 PolarHBondContact O-N 2.95Å; T96-D100 VanDerWaalsContact O-N 3.14Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.09Å
101	R	76.3	Confident	84	Confident	132 Å²	132	63.6 Å²	63.6	50%	0.498	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-36.6	-177.2	-52	-60.1	177.7	173.8	-2.1	113.2	L47 V98 K99	L47-R101 HydrophobicContact CD1-CG 4.49Å; V98-R101 PolarHBondContact O-N 3.16Å; K99-R101 PolarHBondContact O-N 2.85Å
102	K	73.4	Confident	84	Confident	129 Å²	129	62.8 Å²	62.8	56%	0.561	31%	0.311	S	S	*	.	S	Bend	trans	-152.4	157.6	-178.3	-148	66.9	179.4	-177.4	0	115	I54 V98 I104	I54-K102 HydrophobicContact CD1-CB 3.81Å; I54-K102 HydrophobicContact CD1-CG 3.49Å; I54-K102 VanDerWaalsContact CD1-CG 3.49Å; V98-K102 PolarHBondContact O-N 2.85Å; K102-I104 PolarHBondContact O-N 3.04Å
103	E	75.4	Confident	84.1	Confident	190 Å²	190	57.2 Å²	57.2	89%	0.888	29%	0.291	S	S	*	.			trans	-70.8	106	175	-66	178.2	-173.6	0	0	111
104	I	79.1	Confident	84.2	Confident	23 Å²	23	57.1 Å²	57.1	12%	0.118	29%	0.291	C	S	.	.			trans	-108.6	152.7	170.9	53.1	163.8	0	0	0	110.4	I54 V98 K99 K102 L106 F110	I54-I104 HydrophobicContact CG1-CG2 4.28Å; V98-I104 HydrophobicContact CG1-CD1 4.05Å; V98-I104 HydrophobicContact CG1-CG2 3.87Å; K99-I104 HydrophobicContact CG-CD1 3.89Å; K99-I104 HydrophobicContact CG-CG1 4.1Å; K102-I104 PolarHBondContact O-N 3.04Å; I104-L106 PolarHBondContact O-N 3.23Å; I104-F110 HydrophobicContact CD1-CE2 3.4Å; I104-F110 HydrophobicContact CD1-CZ 3.74Å; I104-F110 HydrophobicContact CG2-CZ 4.39Å
105	P	77.4	Confident	84.1	Confident	91 Å²	91	60.4 Å²	60.4	59%	0.591	31%	0.306	S	S	*	.			trans	-56.1	125.8	169.3	-23.1	33.5	0	0	0	110.5	A107 K108	P105-A107 PolarHBondContact O-N 3.46Å; P105-K108 WeakPolarHBondContact O-CB 3.23Å; P105-K108 PolarHBondContact O-N 3.21Å
106	L	73.1	Confident	83.9	Confident	147 Å²	147	62.1 Å²	62.1	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.7	-177.7	-77.4	137.7	0	0	0	113.9	I104	I104-L106 PolarHBondContact O-N 3.23Å
107	A	74.8	Confident	83.9	Confident	80 Å²	80	59.8 Å²	59.8	66%	0.661	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.8	179.6	0	0	0	0	0	114.2	P105	P105-A107 PolarHBondContact O-N 3.46Å
108	K	82.5	Confident	83.8	Confident	35 Å²	35	63.5 Å²	63.5	15%	0.152	33%	0.327	C	S	.	.			trans	-71.4	136.6	178.2	-166.7	176.8	-177.9	-171.8	0	109.6	L53 R55 R58 K95 P105 F110	L53-K108 PolarHBondContact O-NZ 3.29Å; R55-K108 PolarHBondContact O-NZ 2.96Å; R58-K108 WeakPolarHBondContact O-CE 3.4Å; R58-K108 PolarHBondContact O-NZ 3.27Å; K95-K108 VanDerWaalsContact CE-O 3.25Å; K95-K108 WeakPolarHBondContact CE-O 3.46Å; K95-K108 PolarHBondContact NZ-O 3.05Å; P105-K108 WeakPolarHBondContact O-CB 3.23Å; P105-K108 PolarHBondContact O-N 3.21Å; K108-F110 HydrophobicContact CD-CE1 3.94Å; K108-F110 HydrophobicContact CD-CZ 3.97Å; K108-F110 HydrophobicContact CG-CE1 4.3Å; K108-F110 HydrophobicContact CG-CZ 4.23Å
109	D	84	Confident	83.8	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.134	35%	0.345	C	S	.	.			trans	-108	150.8	175.1	-62.8	-44.3	0	0	0	110.8	K95 R199	K95-D109 IonicContact NZ-OD1 3.52Å; K95-D109 PolarHBondContact NZ-OD1 2.84Å; D109-R199 IonicContact OD1-CZ 3.87Å; D109-R199 VanDerWaalsContact OD1-CZ 3.27Å; D109-R199 IonicContact OD1-NE 2.85Å; D109-R199 PolarHBondContact OD1-NE 3.38Å; D109-R199 IonicContact OD1-NH2 3.29Å; D109-R199 PolarHBondContact OD1-NH2 3.04Å; D109-R199 IonicContact OD2-CZ 4Å; D109-R199 IonicContact OD2-NE 3.22Å; D109-R199 PolarHBondContact OD2-NE 3.37Å; D109-R199 IonicContact OD2-NH2 2.75Å; D109-R199 PolarHBondContact OD2-NH2 2.59Å
110	F	89.5	Confident	84	Confident	3 Å²	3	66.7 Å²	66.7	1%	0.013	34%	0.343	C	S	.	.			trans	-123.7	147.3	174.1	-54.9	-76.4	0	0	0	109.5	L53 N59 C91 L94 K95 V98 I104 K108	L53-F110 HydrophobicContact CD1-CD1 4.17Å; L53-F110 HydrophobicContact CD2-CB 4.42Å; L53-F110 HydrophobicContact CD2-CD1 3.44Å; L53-F110 VanDerWaalsContact CD2-CD1 3.44Å; L53-F110 HydrophobicContact CD2-CE1 3.9Å; L53-F110 HydrophobicContact CD2-CG 4.07Å; L53-F110 HydrophobicContact CG-CD1 3.58Å; L53-F110 HydrophobicContact CG-CE1 3.71Å; N59-F110 CarbonylContact O-C 3.56Å; N59-F110 VanDerWaalsContact O-CA 3.25Å; N59-F110 WeakPolarHBondContact O-CA 3.14Å; C91-F110 WeakPolarHBondContact CB-O 3.37Å; L94-F110 HydrophobicContact CD2-CB 3.6Å; L94-F110 HydrophobicContact CG-CB 3.94Å; K95-F110 HydrophobicContact CB-CD2 4.24Å; K95-F110 HydrophobicContact CG-CD2 4.37Å; V98-F110 HydrophobicContact CB-CE2 4.23Å; V98-F110 HydrophobicContact CB-CZ 4.46Å; V98-F110 HydrophobicContact CG1-CE2 4.17Å; V98-F110 HydrophobicContact CG1-CZ 3.95Å; V98-F110 HydrophobicContact CG2-CE2 4.48Å; I104-F110 HydrophobicContact CD1-CE2 3.4Å; I104-F110 HydrophobicContact CD1-CZ 3.74Å; I104-F110 HydrophobicContact CG2-CZ 4.39Å; K108-F110 HydrophobicContact CD-CE1 3.94Å; K108-F110 HydrophobicContact CD-CZ 3.97Å; K108-F110 HydrophobicContact CG-CE1 4.3Å; K108-F110 HydrophobicContact CG-CZ 4.23Å
111	Y	91.8	Very high	84.4	Confident	37 Å²	37	62.7 Å²	62.7	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.6	176.8	-59	-76.4	0	0	0	109.9	N59 T60 L61 V201 A230	N59-Y111 PolarHBondContact O-N 3.28Å; T60-Y111 WeakPolarHBondContact CA-O 3.48Å; L61-Y111 PolarHBondContact N-O 3.05Å; Y111-V201 HydrophobicContact CE2-CG2 3.92Å; Y111-V201 WeakPolarHBondContact OH-CG2 3.45Å; Y111-A230 HydrophobicContact CD2-CB 3.44Å; Y111-A230 VanDerWaalsContact CD2-CB 3.44Å; Y111-A230 HydrophobicContact CE2-CB 3.64Å; Y111-A230 HydrophobicContact CG-CB 4.19Å
112	V	92.6	Very high	85.2	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.7	175.7	-178.7	0	0	0	0	108.1	F30 V63 Y87 L90 L94 F114	F30-V112 HydrophobicContact CE1-CG2 4.2Å; F30-V112 HydrophobicContact CZ-CG1 4.02Å; F30-V112 HydrophobicContact CZ-CG2 4.34Å; V63-V112 HydrophobicContact CB-CG1 4.47Å; V63-V112 HydrophobicContact CG2-CG1 4.06Å; Y87-V112 WeakPolarHBondContact CE2-O 3.43Å; Y87-V112 PolarHBondContact OH-O 2.91Å; L90-V112 HydrophobicContact CB-CG2 4.34Å; L94-V112 HydrophobicContact CB-CG2 4.25Å; L94-V112 HydrophobicContact CD2-CG2 3.88Å; V112-F114 HydrophobicContact CB-CE2 4.43Å; V112-F114 HydrophobicContact CG1-CD2 4.2Å; V112-F114 HydrophobicContact CG1-CE1 4.2Å; V112-F114 HydrophobicContact CG1-CE2 3.62Å; V112-F114 HydrophobicContact CG1-CZ 3.64Å
113	A	92.5	Very high	86	Confident	5 Å²	5	55 Å²	55	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.1	176.4	0	0	0	0	0	109.1	L61 V62 V63 C301 C302	L61-A113 PolarHBondContact O-N 3.23Å; V62-A113 CarbonylContact C-O 3.54Å; V62-A113 WeakPolarHBondContact CA-O 3.29Å; V62-A113 HydrophobicContact CG2-CB 4.29Å; V63-A113 PolarHBondContact N-O 2.84Å; A113-C301 WeakPolarHBondContact CB-O 3.45Å; A113-C302 HydrophobicContact CB-CB 4.13Å
114	F	92.5	Very high	86.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.5	177.5	-69.7	-77.7	0	0	0	110.9	F30 V63 F65 L68 I79 F83 L90 V112 L117 L134 T245 C302	F30-F114 HydrophobicContact CE2-CE1 4.35Å; F30-F114 HydrophobicContact CE2-CZ 4.23Å; V63-F114 HydrophobicContact CB-CD1 4.32Å; V63-F114 HydrophobicContact CB-CE1 4.32Å; V63-F114 HydrophobicContact CG1-CD1 4.41Å; V63-F114 HydrophobicContact CG1-CE1 4.19Å; V63-F114 WeakPolarHBondContact O-CA 3.19Å; F65-F114 HydrophobicContact CD2-CD1 4.13Å; L68-F114 HydrophobicContact CD1-CE1 3.89Å; I79-F114 HydrophobicContact CD1-CZ 4.32Å; I79-F114 HydrophobicContact CG2-CE2 4.27Å; I79-F114 HydrophobicContact CG2-CZ 4.11Å; F83-F114 AromaticContact CE2-CD2 3.58Å; F83-F114 HydrophobicContact CE2-CD2 3.58Å; F83-F114 AromaticContact CE2-CE2 3.58Å; F83-F114 HydrophobicContact CE2-CE2 3.58Å; F83-F114 HydrophobicContact CZ-CD2 4.15Å; F83-F114 HydrophobicContact CZ-CE2 4.37Å; L90-F114 HydrophobicContact CD1-CE2 3.95Å; L90-F114 HydrophobicContact CD1-CZ 3.94Å; V112-F114 HydrophobicContact CB-CE2 4.43Å; V112-F114 HydrophobicContact CG1-CD2 4.2Å; V112-F114 HydrophobicContact CG1-CE1 4.2Å; V112-F114 HydrophobicContact CG1-CE2 3.62Å; V112-F114 HydrophobicContact CG1-CZ 3.64Å; F114-L117 HydrophobicContact CB-CD1 4.38Å; F114-L134 HydrophobicContact CB-CD2 4.24Å; F114-L134 HydrophobicContact CD2-CD2 4.41Å; F114-L134 HydrophobicContact CG-CD2 4.3Å; F114-T245 HydrophobicContact CB-CG2 4.35Å; F114-T245 WeakPolarHBondContact O-CB 3.25Å; F114-T245 VanDerWaalsContact O-CG2 3.3Å; F114-T245 WeakPolarHBondContact O-CG2 2.98Å; F114-C302 WeakPolarHBondContact O-CB 3.42Å
115	Q	89.3	Confident	87.3	Confident	69 Å²	69	52.2 Å²	52.2	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	172.9	173.6	67	168	39.3	0	0	111.4	V62 V63 F65 L117	V62-Q115 HydrophobicContact CG1-CB 4.13Å; V62-Q115 HydrophobicContact CG1-CG 3.7Å; V63-Q115 PolarHBondContact O-N 3.31Å; F65-Q115 WeakPolarHBondContact CB-O 3.46Å; F65-Q115 PolarHBondContact N-O 2.95Å; Q115-L117 PolarHBondContact O-N 2.94Å
116	D	85.9	Confident	87.9	Confident	74 Å²	74	49.1 Å²	49.1	40%	0.396	25%	0.254	S	S	.	.			trans	59.4	39.8	174.2	-51.1	-42	0	0	0	115.2	S64 V66	S64-D116 PolarHBondContact OG-OD2 3.33Å; V66-D116 HydrophobicContact CG2-CB 4.17Å; V66-D116 WeakPolarHBondContact CG2-O 3.37Å
117	L	88.3	Confident	88.7	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	24%	0.238	C	C	.	.			trans	-65.2	133.2	171.2	-91.3	73.3	0	0	0	110.6	F65 F114 Q115 L134 R136 T245	F65-L117 HydrophobicContact CB-CD1 3.94Å; F65-L117 HydrophobicContact CB-CG 4.45Å; F65-L117 HydrophobicContact CD1-CG 4.39Å; F65-L117 HydrophobicContact CD2-CD1 4.41Å; F65-L117 HydrophobicContact CG-CD1 4.12Å; F65-L117 HydrophobicContact CG-CG 4.29Å; F114-L117 HydrophobicContact CB-CD1 4.38Å; Q115-L117 PolarHBondContact O-N 2.94Å; L117-L134 HydrophobicContact CD1-CD2 4.14Å; L117-L134 HydrophobicContact CD2-CD2 4.07Å; L117-L134 HydrophobicContact CD2-CG 3.85Å; L117-R136 HydrophobicContact CB-CB 3.98Å; L117-R136 HydrophobicContact CD2-CB 4.32Å; L117-R136 PolarHBondContact O-NH1 3.41Å; L117-T245 HydrophobicContact CD1-CG2 3.52Å; L117-T245 HydrophobicContact CD2-CG2 4.25Å; L117-T245 HydrophobicContact CG-CG2 4.46Å
118	P	85.8	Confident	89.4	Confident	80 Å²	80	46 Å²	46	52%	0.519	24%	0.236	S	C	.	.	S	Bend	trans	-70.3	-36	-176.9	26.1	-33.6	0	0	0	112.1
119	T	89.3	Confident	89.8	Confident	70 Å²	70	48.6 Å²	48.6	43%	0.429	26%	0.259	S	S	.	.			trans	-94.8	119	-178.3	-55.7	0	0	0	0	110.6	H121	T119-H121 WeakPolarHBondContact CG2-NE2 3.47Å
120	R	88.9	Confident	90.1	Very high	98 Å²	98	51.2 Å²	51.2	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.4	171.7	176.9	176.2	159.9	168.6	-2.7	110	S138 E214 D243	R120-S138 VanDerWaalsContact NE-CB 3.33Å; R120-S138 PolarHBondContact NH2-OG 3.35Å; R120-E214 IonicContact CZ-OE1 2.7Å; R120-E214 IonicContact NE-OE1 3.59Å; R120-E214 IonicContact NH2-OE1 3.3Å; R120-E214 PolarHBondContact NH2-OE1 3.02Å; R120-D243 IonicContact NH1-OD1 2.69Å
121	H	90.8	Very high	90.3	Very high	21 Å²	21	53.9 Å²	53.9	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.6	178.7	-71.8	-64.3	0	0	0	112.3	T119 E125 R136	T119-H121 WeakPolarHBondContact CG2-NE2 3.47Å; H121-E125 IonicContact CG-OE2 2.83Å; H121-E125 IonicContact ND1-OE2 2.74Å; H121-E125 PolarHBondContact ND1-OE2 3.12Å; H121-R136 PolarHBondContact N-O 3.2Å
122	K	91.4	Very high	90.3	Very high	88 Å²	88	52.9 Å²	52.9	38%	0.383	28%	0.282	S	S	.	.			trans	-86.8	155	172.9	-56.4	-176.1	180	-179.7	0	110.8	R124 E125 E214	K122-R124 PolarHBondContact O-N 3.48Å; K122-R124 VanDerWaalsContact O-N 3.12Å; K122-E125 HydrophobicContact CB-CG 4.19Å; K122-E125 PolarHBondContact N-OE2 2.75Å; K122-E125 WeakPolarHBondContact O-CB 3.47Å; K122-E125 PolarHBondContact O-N 3.46Å; K122-E214 HydrophobicContact CD-CB 4.37Å; K122-E214 HydrophobicContact CD-CG 4.34Å; K122-E214 HydrophobicContact CG-CG 4.48Å
123	I	91.2	Very high	90.3	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.067	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57	-32.9	177.3	-58.1	-178.6	0	0	0	111.6	E125 L126 I208 E210 L224	I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.14Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 2.77Å; I123-I208 HydrophobicContact CD1-CD1 4.01Å; I123-I208 HydrophobicContact CD1-CG1 4.29Å; I123-E210 HydrophobicContact CD1-CB 4.21Å; I123-L224 HydrophobicContact CG2-CB 4.17Å
124	R	90.3	Very high	90.4	Very high	67 Å²	67	53.9 Å²	53.9	25%	0.253	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-72.5	-21.3	178.8	-67.6	-177.4	-175	-109.1	-10.9	114.7	K122 L126 E210 I220	K122-R124 PolarHBondContact O-N 3.48Å; K122-R124 VanDerWaalsContact O-N 3.12Å; R124-L126 VanDerWaalsContact C-N 3.26Å; R124-E210 VanDerWaalsContact CD-OE1 3.29Å; R124-E210 WeakPolarHBondContact CD-OE1 3.4Å; R124-E210 WeakPolarHBondContact CG-OE1 3.24Å; R124-E210 IonicContact CZ-OE2 3.27Å; R124-E210 IonicContact NE-OE1 2.66Å; R124-E210 PolarHBondContact NE-OE1 3.24Å; R124-E210 IonicContact NE-OE2 3.49Å; R124-E210 PolarHBondContact NE-OE2 3.05Å; R124-E210 IonicContact NH2-OE2 2.82Å; R124-E210 PolarHBondContact NH2-OE2 3.3Å; R124-I220 PolarHBondContact NH2-O 3.02Å
125	E	91	Very high	90.5	Very high	87 Å²	87	54 Å²	54	41%	0.407	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-81.3	-10.1	179.9	-65.7	170.1	-164.6	0	0	112.2	H121 K122 I123 T127	H121-E125 IonicContact CG-OE2 2.83Å; H121-E125 IonicContact ND1-OE2 2.74Å; H121-E125 PolarHBondContact ND1-OE2 3.12Å; K122-E125 HydrophobicContact CB-CG 4.19Å; K122-E125 PolarHBondContact N-OE2 2.75Å; K122-E125 WeakPolarHBondContact O-CB 3.47Å; K122-E125 PolarHBondContact O-N 3.46Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.14Å; E125-T127 PolarHBondContact O-N 2.85Å
126	L	89.9	Confident	90.7	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.131	28%	0.282	C	S	.	.			trans	-71.8	93.5	177.2	-59.9	178.1	0	0	0	110.5	I123 R124 I137 L224 L248	I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 2.77Å; R124-L126 VanDerWaalsContact C-N 3.26Å; L126-I137 HydrophobicContact CD1-CG2 4.15Å; L126-I137 HydrophobicContact CD2-CG2 3.95Å; L126-I137 HydrophobicContact CG-CG2 4.43Å; L126-L224 HydrophobicContact CD1-CD2 3.49Å; L126-L224 VanDerWaalsContact CD1-CD2 3.49Å; L126-L248 HydrophobicContact CB-CD2 4.3Å
127	T	91.1	Very high	91.1	Very high	71 Å²	71	49.9 Å²	49.9	44%	0.436	26%	0.263	S	S	.	.			trans	-105	169.8	173.9	64.9	0	0	0	0	110.9	E125 S129 R130	E125-T127 PolarHBondContact O-N 2.85Å; T127-S129 PolarHBondContact O-N 3.02Å; T127-S129 VanDerWaalsContact O-N 3.07Å; T127-S129 PolarHBondContact OG1-OG 3.26Å; T127-R130 PolarHBondContact O-N 3.28Å
128	S	88.6	Confident	91.2	Very high	90 Å²	90	49.8 Å²	49.8	63%	0.629	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60	-19.2	177.3	-169.6	0	0	0	0	114.1	R130 I131	S128-R130 PolarHBondContact O-N 3.48Å; S128-I131 WeakPolarHBondContact O-CD1 3.34Å; S128-I131 WeakPolarHBondContact O-CG1 3.41Å; S128-I131 WeakPolarHBondContact OG-CD1 3.37Å
129	S	90.5	Very high	91.4	Very high	91 Å²	91	46 Å²	46	64%	0.636	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-70.7	-17.8	175.9	66	0	0	0	0	113.4	T127	T127-S129 PolarHBondContact O-N 3.02Å; T127-S129 VanDerWaalsContact O-N 3.07Å; T127-S129 PolarHBondContact OG1-OG 3.26Å
130	R	90.8	Very high	91.4	Very high	79 Å²	79	45.5 Å²	45.5	30%	0.298	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-96	8	-177.8	-62.9	-65.1	-164.1	168.4	4.4	113.3	T127 S128 L133	T127-R130 PolarHBondContact O-N 3.28Å; S128-R130 PolarHBondContact O-N 3.48Å; R130-L133 HydrophobicContact CB-CD1 4.47Å
131	I	93.8	Very high	91.4	Very high	60 Å²	60	40.9 Å²	40.9	31%	0.308	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-68.4	133.1	178.1	-64.1	171.9	0	0	0	109	S128 L133 L248 L296	S128-I131 WeakPolarHBondContact O-CD1 3.34Å; S128-I131 WeakPolarHBondContact O-CG1 3.41Å; S128-I131 WeakPolarHBondContact OG-CD1 3.37Å; I131-L133 PolarHBondContact O-N 3.16Å; I131-L248 WeakPolarHBondContact CA-O 3.27Å; I131-L248 HydrophobicContact CG1-CD2 4.15Å; I131-L248 HydrophobicContact CG1-CG 4.43Å; I131-L248 WeakPolarHBondContact CG2-O 3.47Å; I131-L296 HydrophobicContact CD1-CD2 3.96Å; I131-L296 HydrophobicContact CG1-CD2 4.27Å
132	G	91.3	Very high	91.2	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-9.4	177.6	0	0	0	0	0	115.8	F83 Y84 T247 L248	F83-G132 WeakPolarHBondContact CB-O 3.49Å; F83-G132 PolarHBondContact N-O 3.21Å; Y84-G132 PolarHBondContact N-O 3.29Å; Y84-G132 VanDerWaalsContact N-O 3.16Å; G132-T247 VanDerWaalsContact C-OG1 3.23Å; G132-T247 VanDerWaalsContact CA-OG1 3.31Å; G132-T247 WeakPolarHBondContact CA-OG1 3.26Å; G132-L248 PolarHBondContact N-O 3.09Å
133	L	93.9	Very high	90.8	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.115	23%	0.228	C	C	.	.	S	Bend	trans	-81	160.1	175.3	-43.3	-171.9	0	0	0	111.2	Q80 E81 R130 I131 T135 T247	Q80-L133 WeakPolarHBondContact O-CA 3.5Å; E81-L133 WeakPolarHBondContact O-CD2 3.41Å; R130-L133 HydrophobicContact CB-CD1 4.47Å; I131-L133 PolarHBondContact O-N 3.16Å; L133-T135 HydrophobicContact CB-CG2 4.49Å; L133-T247 VanDerWaalsContact O-CA 3.29Å; L133-T247 WeakPolarHBondContact O-CA 3.22Å; L133-T247 WeakPolarHBondContact O-CB 3.44Å; L133-T247 PolarHBondContact O-OG1 3.44Å
134	L	94.6	Very high	90.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.6	168.3	-169.8	65	0	0	0	110	F65 I79 Q80 F83 F114 L117 T245	F65-L134 HydrophobicContact CD2-CD2 4.13Å; F65-L134 HydrophobicContact CE2-CD2 3.96Å; I79-L134 HydrophobicContact CG2-CD2 4.42Å; Q80-L134 PolarHBondContact O-N 2.98Å; F83-L134 HydrophobicContact CB-CB 4.03Å; F83-L134 HydrophobicContact CD1-CD1 4.13Å; F83-L134 HydrophobicContact CD2-CB 4.12Å; F83-L134 HydrophobicContact CD2-CD1 3.86Å; F83-L134 HydrophobicContact CD2-CD2 4.27Å; F83-L134 HydrophobicContact CD2-CG 4.3Å; F83-L134 HydrophobicContact CE1-CD1 4.06Å; F83-L134 HydrophobicContact CE2-CD1 3.79Å; F83-L134 HydrophobicContact CE2-CD2 4.42Å; F83-L134 HydrophobicContact CG-CB 4.05Å; F83-L134 HydrophobicContact CG-CD1 4.02Å; F83-L134 HydrophobicContact CZ-CD1 3.87Å; F114-L134 HydrophobicContact CB-CD2 4.24Å; F114-L134 HydrophobicContact CD2-CD2 4.41Å; F114-L134 HydrophobicContact CG-CD2 4.3Å; L117-L134 HydrophobicContact CD1-CD2 4.14Å; L117-L134 HydrophobicContact CD2-CD2 4.07Å; L117-L134 HydrophobicContact CD2-CG 3.85Å; L134-T245 HydrophobicContact CD1-CG2 3.97Å; L134-T245 HydrophobicContact CG-CG2 4.43Å
135	T	94.1	Very high	90.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.2	-178	54.6	0	0	0	0	110.7	L133 G246 F298	L133-T135 HydrophobicContact CB-CG2 4.49Å; T135-G246 PolarHBondContact N-O 3.05Å; T135-G246 PolarHBondContact O-N 2.75Å; T135-G246 PolarHBondContact OG1-O 2.92Å; T135-F298 VanDerWaalsContact OG1-CE2 3.29Å; T135-F298 WeakPolarHBondContact OG1-CE2 3.32Å
136	R	93.9	Very high	90.3	Very high	58 Å²	58	43.8 Å²	43.8	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.1	172.2	176.5	-177.4	174.5	175.3	4.6	109	L117 H121 D243 F244	L117-R136 HydrophobicContact CB-CB 3.98Å; L117-R136 HydrophobicContact CD2-CB 4.32Å; L117-R136 PolarHBondContact O-NH1 3.41Å; H121-R136 PolarHBondContact N-O 3.2Å; R136-D243 IonicContact CZ-OD2 3.89Å; R136-D243 IonicContact NE-OD2 3.54Å; R136-D243 PolarHBondContact NE-OD2 2.55Å; R136-D243 IonicContact NH2-OD2 3.38Å; R136-D243 PolarHBondContact NH2-OD2 3.13Å; R136-F244 CarbonylContact C-O 3.48Å; R136-F244 WeakPolarHBondContact CA-O 3.36Å
137	I	93.1	Very high	90.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.6	177.9	66.8	173.2	0	0	0	109.9	L126 I208 L224 V226 D243 F244 F298	L126-I137 HydrophobicContact CD1-CG2 4.15Å; L126-I137 HydrophobicContact CD2-CG2 3.95Å; L126-I137 HydrophobicContact CG-CG2 4.43Å; I137-I208 HydrophobicContact CD1-CD1 3.66Å; I137-I208 HydrophobicContact CG1-CD1 4.43Å; I137-L224 HydrophobicContact CD1-CD2 3.85Å; I137-V226 HydrophobicContact CD1-CG2 4.35Å; I137-D243 CarbonylContact O-C 3.59Å; I137-D243 WeakPolarHBondContact O-CA 3.49Å; I137-F244 HydrophobicContact CD1-CB 4.5Å; I137-F244 HydrophobicContact CG1-CB 3.88Å; I137-F244 PolarHBondContact N-O 3.06Å; I137-F244 PolarHBondContact O-N 3.39Å; I137-F298 HydrophobicContact CB-CZ 4.49Å; I137-F298 HydrophobicContact CD1-CB 4.28Å; I137-F298 HydrophobicContact CD1-CD1 3.55Å; I137-F298 HydrophobicContact CD1-CD2 3.77Å; I137-F298 HydrophobicContact CD1-CE1 3.69Å; I137-F298 HydrophobicContact CD1-CE2 3.88Å; I137-F298 HydrophobicContact CD1-CG 3.59Å; I137-F298 HydrophobicContact CD1-CZ 3.85Å; I137-F298 HydrophobicContact CG1-CD1 4.14Å; I137-F298 HydrophobicContact CG1-CE1 3.75Å; I137-F298 HydrophobicContact CG1-CE2 4.19Å; I137-F298 HydrophobicContact CG1-CZ 3.77Å; I137-F298 HydrophobicContact CG2-CE2 3.9Å; I137-F298 HydrophobicContact CG2-CZ 4.05Å
138	S	91	Very high	90.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.2	175.1	-169.4	0	0	0	0	110	R120 D243 T306	R120-S138 VanDerWaalsContact NE-CB 3.33Å; R120-S138 PolarHBondContact NH2-OG 3.35Å; S138-D243 WeakPolarHBondContact CB-OD1 3.29Å; S138-D243 PolarHBondContact OG-OD1 3.4Å; S138-T306 PolarHBondContact OG-OG1 3.39Å
139	G	90	Very high	90.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	159.7	178.1	0	0	0	0	0	112.1	Q209 C242	G139-Q209 CarbonylContact C-O 3.4Å; G139-Q209 VanDerWaalsContact CA-O 3.3Å; G139-Q209 WeakPolarHBondContact CA-O 3.41Å; G139-C242 PolarHBondContact N-O 2.98Å; G139-C242 VanDerWaalsContact N-O 3.11Å; G139-C242 PolarHBondContact O-N 2.92Å; G139-C242 VanDerWaalsContact O-N 3.12Å
140	Q	88.9	Confident	90.5	Very high	59 Å²	59	44.1 Å²	44.1	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.6	169.1	-171.2	173.1	12.2	0	0	109.3	V142 I208 Q209 G239 D240	Q140-V142 PolarHBondContact O-N 3.07Å; Q140-I208 CarbonylContact O-C 3.57Å; Q140-I208 VanDerWaalsContact O-CA 3.28Å; Q140-I208 WeakPolarHBondContact O-CA 3.42Å; Q140-Q209 PolarHBondContact N-O 3.13Å; Q140-Q209 PolarHBondContact O-N 3.47Å; Q140-G239 PolarHBondContact NE2-O 2.99Å; Q140-G239 VanDerWaalsContact NE2-O 3.08Å; Q140-D240 CarbonylContact C-O 3.56Å; Q140-D240 WeakPolarHBondContact CA-O 3.31Å
141	V	90.1	Very high	90.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.2	176	-176.9	0	0	0	0	108.6	T144 I208 A236 Q237 G239 D240 F244	V141-T144 HydrophobicContact CG1-CG2 3.68Å; V141-I208 HydrophobicContact CG2-CG2 4.44Å; V141-A236 HydrophobicContact CG2-CB 4.09Å; V141-Q237 VanDerWaalsContact CB-O 3.24Å; V141-Q237 WeakPolarHBondContact CB-O 3.49Å; V141-G239 PolarHBondContact O-N 3.11Å; V141-D240 PolarHBondContact N-O 2.63Å; V141-F244 HydrophobicContact CG2-CZ 3.94Å
142	V	85.1	Confident	90.3	Very high	63 Å²	63	41.2 Å²	41.2	38%	0.382	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-44.5	178.7	-172.5	0	0	0	0	110.4	Q140 R207 Q209	Q140-V142 PolarHBondContact O-N 3.07Å; V142-R207 PolarHBondContact N-O 3.47Å; V142-Q209 HydrophobicContact CG2-CB 3.37Å; V142-Q209 HydrophobicContact CG2-CG 4.38Å
143	R	83.8	Confident	90.1	Very high	103 Å²	103	40.7 Å²	40.7	39%	0.389	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141	-176.3	-65.9	-173.8	177.9	164.2	-1.4	111.3	V206 R207 E445	R143-V206 WeakPolarHBondContact O-CA 3.34Å; R143-R207 HydrophobicContact CB-CB 4.49Å; R143-R207 PolarHBondContact N-O 3.02Å; R143-R207 PolarHBondContact O-N 2.9Å; R143-E445 IonicContact CZ-OE1 2.98Å; R143-E445 IonicContact NE-OE1 3.71Å; R143-E445 PolarHBondContact NE-OE1 2.98Å; R143-E445 IonicContact NH2-OE1 3.44Å; R143-E445 PolarHBondContact NH2-OE1 3.24Å
144	T	86.6	Confident	90	Very high	50 Å²	50	39.6 Å²	39.6	31%	0.307	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.2	175.4	50.3	0	0	0	0	108.6	V141 V206 A236	V141-T144 HydrophobicContact CG1-CG2 3.68Å; T144-V206 HydrophobicContact CG2-CG1 3.99Å; T144-A236 WeakPolarHBondContact CG2-O 3.38Å
145	H	87.1	Confident	89.8	Confident	36 Å²	36	39.8 Å²	39.8	17%	0.167	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-83.9	158.7	172.6	-66.2	71.1	0	0	0	109.9	Q204 K205 E438	H145-Q204 VanDerWaalsContact O-CG 3.29Å; H145-Q204 WeakPolarHBondContact O-CG 3.2Å; H145-Q204 PolarHBondContact O-NE2 3.44Å; H145-K205 HydrophobicContact CB-CB 4.23Å; H145-K205 VanDerWaalsContact CB-O 3.23Å; H145-K205 WeakPolarHBondContact CB-O 3.42Å; H145-K205 VanDerWaalsContact CE1-CE 3.43Å; H145-K205 WeakPolarHBondContact CE1-CE 3.47Å; H145-K205 PolarHBondContact N-O 2.95Å; H145-K205 PolarHBondContact ND1-O 3.43Å; H145-K205 WeakPolarHBondContact NE2-CE 3.34Å; H145-E438 IonicContact NE2-OE2 2.7Å; H145-E438 PolarHBondContact NE2-OE2 3.41Å
146	P	88.6	Confident	89.7	Confident	85 Å²	85	39.7 Å²	39.7	55%	0.552	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-60.6	157.2	172.8	25.5	-35	0	0	0	111.9	H148	P146-H148 PolarHBondContact O-CD2 3.39Å
147	V	92.1	Very high	89.6	Confident	48 Å²	48	39.6 Å²	39.6	29%	0.291	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-74.3	133.1	177.1	-174.4	0	0	0	0	109.8	D202 V233 E234	V147-D202 HydrophobicContact CG1-CB 3.98Å; V147-V233 HydrophobicContact CB-CG1 4.12Å; V147-V233 HydrophobicContact CG1-CG1 3.74Å; V147-V233 HydrophobicContact CG2-CG1 3.27Å; V147-E234 HydrophobicContact CG2-CG 3.93Å
148	H	90.6	Very high	89.5	Confident	105 Å²	105	39.6 Å²	39.6	49%	0.486	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.2	175.4	-68.4	-63	0	0	0	110.6	P146 E150 F203	P146-H148 PolarHBondContact O-CD2 3.39Å; H148-E150 PolarHBondContact O-N 3.47Å; H148-F203 PolarHBondContact N-O 2.94Å; H148-F203 WeakPolarHBondContact O-CA 3.36Å; H148-F203 WeakPolarHBondContact O-CB 3.27Å; H148-F203 PolarHBondContact O-N 3.1Å
149	P	91.8	Very high	89.4	Confident	94 Å²	94	44 Å²	44	61%	0.61	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	122.4	171.1	29.2	-32.4	0	0	0	110.6	F200	P149-F200 HydrophobicContact CB-CB 4.5Å; P149-F200 HydrophobicContact CB-CD1 4.41Å
150	E	90.4	Very high	89.3	Confident	37 Å²	37	48.2 Å²	48.2	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.6	172.8	-179.8	-179.5	-160	0	0	110.2	H148 V152 F200 V201 F203 R229	H148-E150 PolarHBondContact O-N 3.47Å; E150-V152 PolarHBondContact O-N 3.44Å; E150-F200 CarbonylContact O-C 3.49Å; E150-F200 VanDerWaalsContact O-CA 3.26Å; E150-F200 WeakPolarHBondContact O-CA 3.4Å; E150-V201 HydrophobicContact CB-CG1 4.06Å; E150-V201 PolarHBondContact N-O 3.05Å; E150-V201 PolarHBondContact O-N 3.27Å; E150-F203 HydrophobicContact CB-CB 3.68Å; E150-F203 HydrophobicContact CB-CG 4.32Å; E150-F203 WeakPolarHBondContact OE2-CD2 3.37Å; E150-R229 VanDerWaalsContact CD-NH2 3.31Å; E150-R229 IonicContact OE1-CZ 2.95Å; E150-R229 IonicContact OE1-NH2 2.68Å; E150-R229 PolarHBondContact OE1-NH2 2.93Å; E150-R229 IonicContact OE2-CZ 3.92Å; E150-R229 VanDerWaalsContact OE2-CZ 3.29Å; E150-R229 IonicContact OE2-NE 3.27Å; E150-R229 PolarHBondContact OE2-NE 3.31Å; E150-R229 IonicContact OE2-NH2 2.72Å; E150-R229 PolarHBondContact OE2-NH2 3.23Å
151	L	90.7	Very high	89.2	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	109.3	173.7	178.8	68.3	0	0	0	109.6	Q170 Y174 L193 F200	L151-Q170 HydrophobicContact CD2-CG 3.85Å; L151-Q170 HydrophobicContact CG-CG 3.88Å; L151-Q170 VanDerWaalsContact O-CB 3.29Å; L151-Q170 WeakPolarHBondContact O-CB 3.28Å; L151-Y174 HydrophobicContact CD2-CD2 4.32Å; L151-Y174 HydrophobicContact CD2-CE2 4.3Å; L151-L193 HydrophobicContact CD2-CD1 4.12Å; L151-L193 HydrophobicContact CD2-CD2 3.9Å; L151-F200 HydrophobicContact CB-CD1 4.11Å; L151-F200 HydrophobicContact CB-CE1 3.88Å; L151-F200 HydrophobicContact CD1-CD1 4.13Å; L151-F200 HydrophobicContact CD1-CE1 3.67Å; L151-F200 HydrophobicContact CD1-CE2 4.43Å; L151-F200 HydrophobicContact CD1-CZ 3.84Å; L151-F200 HydrophobicContact CG-CE1 4.35Å
152	V	87.8	Confident	89.1	Confident	50 Å²	50	54.5 Å²	54.5	30%	0.303	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-48.3	178.7	-178.3	0	0	0	0	111	E150 Q170 R199 V201	E150-V152 PolarHBondContact O-N 3.44Å; V152-Q170 PolarHBondContact O-N 2.97Å; V152-R199 PolarHBondContact N-O 3.29Å; V152-V201 HydrophobicContact CG2-CB 3.77Å; V152-V201 HydrophobicContact CG2-CG1 3.29Å
153	S	89	Confident	89.3	Confident	5 Å²	5	53.6 Å²	53.6	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.8	176.4	66.8	0	0	0	0	110.7	V168 R199	S153-V168 CarbonylContact C-O 3.54Å; S153-V168 WeakPolarHBondContact CA-O 3.46Å; S153-R199 PolarHBondContact N-O 3.34Å; S153-R199 PolarHBondContact O-N 3.24Å; S153-R199 WeakPolarHBondContact OG-CB 3.46Å; S153-R199 WeakPolarHBondContact OG-CD 3.29Å
154	G	90.5	Very high	89.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.5	179.7	0	0	0	0	0	112.2	V168	G154-V168 PolarHBondContact N-O 3.22Å; G154-V168 WeakPolarHBondContact O-CB 3.23Å; G154-V168 PolarHBondContact O-N 3.35Å; G154-V168 VanDerWaalsContact O-N 3.09Å
155	T	91.3	Very high	89.6	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.6	164.1	-65.9	0	0	0	0	108.3	I165 R166 D194 K197 S198	T155-I165 CarbonylContact C-O 3.57Å; T155-I165 WeakPolarHBondContact CA-O 3.37Å; T155-R166 HydrophobicContact CG2-CG 4Å; T155-D194 PolarHBondContact O-N 3.34Å; T155-K197 HydrophobicContact CG2-CB 4.11Å; T155-K197 PolarHBondContact OG1-O 3.31Å; T155-S198 PolarHBondContact N-OG 3.1Å
156	F	91.9	Very high	89.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.6	-177.1	-70.3	-90.2	0	0	0	111.3	I165 V168 Y174 T175 Q176 P177 F191 L192 L193	F156-I165 HydrophobicContact CB-CB 4.49Å; F156-I165 PolarHBondContact N-O 3.48Å; F156-I165 PolarHBondContact O-N 2.92Å; F156-V168 HydrophobicContact CD2-CB 3.84Å; F156-V168 HydrophobicContact CD2-CG1 4.3Å; F156-V168 HydrophobicContact CD2-CG2 3.77Å; F156-V168 HydrophobicContact CE2-CB 3.77Å; F156-V168 HydrophobicContact CE2-CG1 3.92Å; F156-V168 HydrophobicContact CE2-CG2 4.22Å; F156-Y174 HydrophobicContact CE1-CE2 4.15Å; F156-Y174 AromaticContact CE1-CZ 3.98Å; F156-Y174 WeakPolarHBondContact CE1-OH 3.4Å; F156-Y174 HydrophobicContact CZ-CE2 4.02Å; F156-T175 WeakPolarHBondContact CZ-O 3.23Å; F156-Q176 HydrophobicContact CE1-CB 4.47Å; F156-Q176 HydrophobicContact CE1-CG 4.1Å; F156-P177 HydrophobicContact CB-CG 3.94Å; F156-P177 HydrophobicContact CD2-CG 4.14Å; F156-P177 HydrophobicContact CG-CG 3.96Å; F156-F191 HydrophobicContact CB-CB 4.22Å; F156-F191 HydrophobicContact CD1-CB 3.96Å; F156-F191 HydrophobicContact CG-CB 4.45Å; F156-L192 CarbonylContact C-O 3.57Å; F156-L192 WeakPolarHBondContact CA-O 3.45Å; F156-L193 HydrophobicContact CD1-CB 4.35Å; F156-L193 HydrophobicContact CD1-CD1 4.33Å; F156-L193 HydrophobicContact CD2-CD1 4.48Å; F156-L193 HydrophobicContact CE1-CB 4.16Å; F156-L193 HydrophobicContact CE1-CD1 4.01Å; F156-L193 HydrophobicContact CE2-CD1 4.16Å; F156-L193 HydrophobicContact CZ-CD1 3.93Å
157	L	91.4	Very high	89.4	Confident	55 Å²	55	55 Å²	55	29%	0.288	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.4	169.5	-177.8	67.1	0	0	0	109.6	L159 Q162 V164 F191 L192	L157-L159 PolarHBondContact O-N 3.5Å; L157-Q162 VanDerWaalsContact CD1-O 3.27Å; L157-Q162 WeakPolarHBondContact CD1-O 3.46Å; L157-V164 HydrophobicContact CD1-CG1 3.86Å; L157-F191 WeakPolarHBondContact O-CA 3.39Å; L157-L192 PolarHBondContact N-O 3.05Å; L157-L192 PolarHBondContact O-N 3.21Å
158	C	90.4	Very high	89.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126	169.7	172.7	0	0	0	0	110	D160 C161 Q162 T163 N187 F191	C158-D160 PolarHBondContact SG-N 2.8Å; C158-D160 VanDerWaalsContact SG-N 3.43Å; C158-C161 PolarHBondContact SG-N 3.22Å; C158-C161 PolarHBondContact SG-SG 3.44Å; C158-Q162 WeakPolarHBondContact O-CA 3.42Å; C158-Q162 PolarHBondContact O-N 3.27Å; C158-T163 WeakPolarHBondContact CB-O 3.32Å; C158-T163 PolarHBondContact N-O 3.2Å; C158-N187 PolarHBondContact SG-ND2 2.98Å; C158-N187 PolarHBondContact SG-OD1 3.03Å; C158-N187 VanDerWaalsContact SG-OD1 3.42Å; C158-F191 HydrophobicContact CB-CD1 4.19Å; C158-F191 HydrophobicContact CB-CE1 4.03Å
159	L	88.8	Confident	88.9	Confident	95 Å²	95	54.6 Å²	54.6	50%	0.497	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.7	179.4	-69.1	175.9	0	0	0	113.5	L157 R190 L192	L157-L159 PolarHBondContact O-N 3.5Å; L159-R190 HydrophobicContact CB-CB 4.3Å; L159-R190 HydrophobicContact CD1-CB 4.26Å; L159-R190 PolarHBondContact N-O 3.08Å; L159-L192 HydrophobicContact CD2-CB 4.03Å; L159-L192 HydrophobicContact CD2-CD2 4.38Å; L159-L192 HydrophobicContact CG-CB 4.34Å
160	D	87.9	Confident	88.5	Confident	90 Å²	90	51.3 Å²	51.3	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-37.8	-174.9	-63.6	-19.4	0	0	0	112.4	C158 N187	C158-D160 PolarHBondContact SG-N 2.8Å; C158-D160 VanDerWaalsContact SG-N 3.43Å; D160-N187 HydrophobicContact CB-CB 4.11Å; D160-N187 WeakPolarHBondContact OD2-CB 3.5Å
161	C	87.3	Confident	87.9	Confident	36 Å²	36	56.1 Å²	56.1	24%	0.243	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	3.4	179.5	69	0	0	0	0	115	C158 T163 C185	C158-C161 PolarHBondContact SG-N 3.22Å; C158-C161 PolarHBondContact SG-SG 3.44Å; C161-T163 HydrophobicContact CB-CG2 4.47Å; C161-T163 PolarHBondContact O-N 3.18Å; C161-T163 PolarHBondContact SG-OG1 3.46Å; C161-C185 HydrophobicContact CB-CB 4.09Å; C161-C185 PolarHBondContact SG-SG 3.22Å
162	Q	88.2	Confident	87.2	Confident	156 Å²	156	57.4 Å²	57.4	73%	0.729	29%	0.289	S	S	*	.			trans	57.2	13.5	177.6	-58.4	179.7	4.9	0	0	115	L157 C158	L157-Q162 VanDerWaalsContact CD1-O 3.27Å; L157-Q162 WeakPolarHBondContact CD1-O 3.46Å; C158-Q162 WeakPolarHBondContact O-CA 3.42Å; C158-Q162 PolarHBondContact O-N 3.27Å
163	T	88.8	Confident	86.8	Confident	45 Å²	45	58.9 Å²	58.9	28%	0.276	29%	0.291	S	S	.	.			trans	-73.8	139.9	174.8	57.9	0	0	0	0	110.5	C158 C161 C180 N182	C158-T163 WeakPolarHBondContact CB-O 3.32Å; C158-T163 PolarHBondContact N-O 3.2Å; C161-T163 HydrophobicContact CB-CG2 4.47Å; C161-T163 PolarHBondContact O-N 3.18Å; C161-T163 PolarHBondContact SG-OG1 3.46Å; T163-C180 PolarHBondContact OG1-SG 3.49Å; T163-N182 HydrophobicContact CG2-CB 4.2Å
164	V	88.6	Confident	86.6	Confident	60 Å²	60	64.2 Å²	64.2	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.1	175.8	-66.5	0	0	0	0	109.8	L157	L157-V164 HydrophobicContact CD1-CG1 3.86Å
165	I	88.7	Confident	86.2	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103.5	173.2	-54.1	176	0	0	0	106.4	T155 F156 V168 P177 R181 F191	T155-I165 CarbonylContact C-O 3.57Å; T155-I165 WeakPolarHBondContact CA-O 3.37Å; F156-I165 HydrophobicContact CB-CB 4.49Å; F156-I165 PolarHBondContact N-O 3.48Å; F156-I165 PolarHBondContact O-N 2.92Å; I165-V168 HydrophobicContact CG2-CG2 3.74Å; I165-P177 HydrophobicContact CD1-CB 4.21Å; I165-P177 HydrophobicContact CD1-CG 4.03Å; I165-R181 HydrophobicContact CG1-CG 4.5Å; I165-F191 HydrophobicContact CD1-CD1 4.04Å; I165-F191 HydrophobicContact CD1-CE1 3.52Å; I165-F191 HydrophobicContact CD1-CZ 4.28Å
166	R	87	Confident	85.9	Confident	136 Å²	136	70 Å²	70	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	158.9	178.7	-60.2	-177.7	-175.5	-178.7	1.2	110.9	T155 V168 R181	T155-R166 HydrophobicContact CG2-CG 4Å; R166-V168 PolarHBondContact O-N 3.49Å; R166-R181 PolarHBondContact O-NH2 2.91Å; R166-R181 VanDerWaalsContact O-NH2 3.08Å
167	D	83.6	Confident	85.6	Confident	98 Å²	98	70.7 Å²	70.7	52%	0.524	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	41.9	167.8	-50.9	-56.9	0	0	0	114.3	E169	D167-E169 PolarHBondContact O-N 3.05Å
168	V	87.2	Confident	85.2	Confident	26 Å²	26	73.9 Å²	73.9	16%	0.158	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	104.3	169.5	-178.2	0	0	0	0	108.6	S153 G154 F156 I165 R166 Q170 P177	S153-V168 CarbonylContact C-O 3.54Å; S153-V168 WeakPolarHBondContact CA-O 3.46Å; G154-V168 PolarHBondContact N-O 3.22Å; G154-V168 WeakPolarHBondContact O-CB 3.23Å; G154-V168 PolarHBondContact O-N 3.35Å; G154-V168 VanDerWaalsContact O-N 3.09Å; F156-V168 HydrophobicContact CD2-CB 3.84Å; F156-V168 HydrophobicContact CD2-CG1 4.3Å; F156-V168 HydrophobicContact CD2-CG2 3.77Å; F156-V168 HydrophobicContact CE2-CB 3.77Å; F156-V168 HydrophobicContact CE2-CG1 3.92Å; F156-V168 HydrophobicContact CE2-CG2 4.22Å; I165-V168 HydrophobicContact CG2-CG2 3.74Å; R166-V168 PolarHBondContact O-N 3.49Å; V168-Q170 PolarHBondContact O-NE2 3.1Å; V168-P177 HydrophobicContact CG2-CB 4.33Å; V168-P177 HydrophobicContact CG2-CG 4.43Å
169	E	85.3	Confident	85	Confident	119 Å²	119	80.2 Å²	80.2	56%	0.556	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.2	178.3	-63.9	-174.7	170.8	0	0	112	D167 T175	D167-E169 PolarHBondContact O-N 3.05Å; E169-T175 PolarHBondContact O-OG1 3.31Å
170	Q	83.8	Confident	84.7	Confident	25 Å²	25	76.1 Å²	76.1	12%	0.117	38%	0.375	C	S	.	.			trans	-107.2	114.2	177.3	-58.1	-59.5	-25.8	0	0	109.7	L151 V152 V168 K173 T175	L151-Q170 HydrophobicContact CD2-CG 3.85Å; L151-Q170 HydrophobicContact CG-CG 3.88Å; L151-Q170 VanDerWaalsContact O-CB 3.29Å; L151-Q170 WeakPolarHBondContact O-CB 3.28Å; V152-Q170 PolarHBondContact O-N 2.97Å; V168-Q170 PolarHBondContact O-NE2 3.1Å; Q170-K173 PolarHBondContact OE1-O 2.91Å; Q170-K173 VanDerWaalsContact OE1-O 3.13Å; Q170-T175 PolarHBondContact NE2-O 2.85Å; Q170-T175 PolarHBondContact OE1-O 3.45Å; Q170-T175 PolarHBondContact OE1-OG1 3.47Å
171	Q	78.6	Confident	84.5	Confident	138 Å²	138	80 Å²	80	65%	0.645	38%	0.383	S	S	*	.			trans	-102.7	86.6	179.4	-67	-177.3	-0.4	0	0	110.1	K173	Q171-K173 PolarHBondContact O-N 3.45Å
172	F	74.4	Confident	84.4	Confident	56 Å²	56	80.7 Å²	80.7	25%	0.246	38%	0.384	C	S	.	.	S	Bend	trans	55.7	2.2	176.2	-50.7	-68	0	0	0	116.5	I249	F172-I249 HydrophobicContact CE1-CD1 3.73Å; F172-I249 HydrophobicContact CZ-CD1 3.55Å
173	K	80.4	Confident	84.2	Confident	80 Å²	80	79.4 Å²	79.4	35%	0.348	39%	0.389	S	S	.	.	S	Bend	trans	-140.8	144.8	177	174.4	172.7	176.4	-178.7	0	108	Q170 Q171 T175 V254 L257	Q170-K173 PolarHBondContact OE1-O 2.91Å; Q170-K173 VanDerWaalsContact OE1-O 3.13Å; Q171-K173 PolarHBondContact O-N 3.45Å; K173-T175 HydrophobicContact CB-CG2 4.46Å; K173-T175 HydrophobicContact CG-CG2 4.41Å; K173-T175 PolarHBondContact O-N 2.72Å; K173-V254 HydrophobicContact CB-CG1 4.45Å; K173-L257 HydrophobicContact CD-CD2 3.57Å
174	Y	84	Confident	84	Confident	117 Å²	117	83.3 Å²	83.3	46%	0.459	41%	0.413	S	S	.	.			trans	-65.6	105.7	166.6	-176.2	-112.9	0	0	0	110.2	L151 F156 Q176 L193	L151-Y174 HydrophobicContact CD2-CD2 4.32Å; L151-Y174 HydrophobicContact CD2-CE2 4.3Å; F156-Y174 HydrophobicContact CE1-CE2 4.15Å; F156-Y174 AromaticContact CE1-CZ 3.98Å; F156-Y174 WeakPolarHBondContact CE1-OH 3.4Å; F156-Y174 HydrophobicContact CZ-CE2 4.02Å; Y174-Q176 HydrophobicContact CD1-CG 4.43Å; Y174-Q176 HydrophobicContact CE1-CG 3.81Å; Y174-L193 HydrophobicContact CE2-CD2 4.32Å
175	T	83.1	Confident	83.7	Confident	51 Å²	51	81.6 Å²	81.6	31%	0.313	40%	0.403	S	S	.	.			trans	-109.5	125.7	178.3	58.8	0	0	0	0	109.4	F156 E169 Q170 K173	F156-T175 WeakPolarHBondContact CZ-O 3.23Å; E169-T175 PolarHBondContact O-OG1 3.31Å; Q170-T175 PolarHBondContact NE2-O 2.85Å; Q170-T175 PolarHBondContact OE1-O 3.45Å; Q170-T175 PolarHBondContact OE1-OG1 3.47Å; K173-T175 HydrophobicContact CB-CG2 4.46Å; K173-T175 HydrophobicContact CG-CG2 4.41Å; K173-T175 PolarHBondContact O-N 2.72Å
176	Q	84.6	Confident	83.4	Confident	78 Å²	78	85.7 Å²	85.7	36%	0.364	44%	0.438	S	S	.	.			trans	-93.6	148.5	171.7	-62.4	177.3	8.4	0	0	108.5	F156 Y174 N178 R189	F156-Q176 HydrophobicContact CE1-CB 4.47Å; F156-Q176 HydrophobicContact CE1-CG 4.1Å; Y174-Q176 HydrophobicContact CD1-CG 4.43Å; Y174-Q176 HydrophobicContact CE1-CG 3.81Å; Q176-N178 PolarHBondContact O-N 3.07Å; Q176-N178 PolarHBondContact O-OD1 2.83Å; Q176-R189 PolarHBondContact OE1-O 2.92Å
177	P	85.2	Confident	83.2	Confident	16 Å²	16	79.6 Å²	79.6	10%	0.104	42%	0.416	C	S	.	.			trans	-62.1	137.3	172.8	25.5	-32.2	0	0	0	109.9	F156 I165 V168 F191	F156-P177 HydrophobicContact CB-CG 3.94Å; F156-P177 HydrophobicContact CD2-CG 4.14Å; F156-P177 HydrophobicContact CG-CG 3.96Å; I165-P177 HydrophobicContact CD1-CB 4.21Å; I165-P177 HydrophobicContact CD1-CG 4.03Å; V168-P177 HydrophobicContact CG2-CB 4.33Å; V168-P177 HydrophobicContact CG2-CG 4.43Å; P177-F191 HydrophobicContact CG-CB 4.22Å; P177-F191 HydrophobicContact CG-CD1 3.89Å; P177-F191 HydrophobicContact CG-CD2 3.92Å; P177-F191 HydrophobicContact CG-CE1 4.2Å; P177-F191 HydrophobicContact CG-CE2 4.24Å; P177-F191 HydrophobicContact CG-CG 3.74Å; P177-F191 HydrophobicContact CG-CZ 4.36Å; P177-F191 WeakPolarHBondContact O-CD2 3.5Å; P177-F191 WeakPolarHBondContact O-CE2 3.41Å
178	N	82.9	Confident	83	Confident	122 Å²	122	83.9 Å²	83.9	65%	0.652	43%	0.425	S	S	*	.	S	Bend	trans	-90.4	-17.2	-178.3	-67.7	-20.2	0	0	0	113.1	Q176 R188	Q176-N178 PolarHBondContact O-N 3.07Å; Q176-N178 PolarHBondContact O-OD1 2.83Å; N178-R188 WeakPolarHBondContact O-CA 3.5Å; N178-R188 WeakPolarHBondContact O-CB 3.36Å; N178-R188 WeakPolarHBondContact O-CG 3.49Å
179	I	86	Confident	82.8	Confident	133 Å²	133	93 Å²	93	68%	0.682	46%	0.456	S	S	*	.	S	Bend	trans	-137.7	133.7	-174.9	-57.7	177.3	0	0	0	107.7
180	C	83.6	Confident	82.8	Confident	9 Å²	9	95 Å²	95	6%	0.061	46%	0.458	C	S	.	.			trans	-80	144	173.2	-174.1	0	0	0	0	111.2	T163 N182 C185 N187 F191	T163-C180 PolarHBondContact OG1-SG 3.49Å; C180-N182 PolarHBondContact O-N 3.28Å; C180-C185 HydrophobicContact CB-CB 4.08Å; C180-N187 WeakPolarHBondContact CB-OD1 3.34Å; C180-F191 HydrophobicContact CB-CE1 4.23Å; C180-F191 HydrophobicContact CB-CZ 4.17Å
181	R	83.8	Confident	83.1	Confident	172 Å²	172	94.4 Å²	94.4	65%	0.649	46%	0.456	S	S	*	.	S	Bend	trans	-64.4	-23.5	177	-67.2	-173.9	-179.8	-179.2	3	112.6	I165 R166 P183	I165-R181 HydrophobicContact CG1-CG 4.5Å; R166-R181 PolarHBondContact O-NH2 2.91Å; R166-R181 VanDerWaalsContact O-NH2 3.08Å; R181-P183 WeakPolarHBondContact O-CD 3.42Å
182	N	85.6	Confident	83.7	Confident	50 Å²	50	92.6 Å²	92.6	27%	0.267	45%	0.45	S	S	.	.	S	Bend	trans	-78.8	117	177.5	-175.3	0.6	0	0	0	110.3	T163 C180 V184 C185	T163-N182 HydrophobicContact CG2-CB 4.2Å; C180-N182 PolarHBondContact O-N 3.28Å; N182-V184 PolarHBondContact O-N 3.36Å; N182-V184 VanDerWaalsContact O-N 3.12Å; N182-V184 PolarHBondContact OD1-N 3.39Å; N182-C185 HydrophobicContact CB-CB 4.09Å; N182-C185 PolarHBondContact O-N 3.25Å
183	P	82.3	Confident	84.5	Confident	129 Å²	129	91.6 Å²	91.6	84%	0.838	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	-177.9	26.8	-35.9	0	0	0	113.4	R181 C185	R181-P183 WeakPolarHBondContact O-CD 3.42Å; P183-C185 VanDerWaalsContact C-N 3.33Å
184	V	85.9	Confident	85	Confident	127 Å²	127	89.4 Å²	89.4	77%	0.77	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.5	178.3	-172.3	0	0	0	0	112	N182	N182-V184 PolarHBondContact O-N 3.36Å; N182-V184 VanDerWaalsContact O-N 3.12Å; N182-V184 PolarHBondContact OD1-N 3.39Å
185	C	81.9	Confident	85.2	Confident	23 Å²	23	87.6 Å²	87.6	16%	0.155	44%	0.44	C	S	.	.			trans	-95.4	116.7	-173.5	-158.5	0	0	0	0	111.9	C161 C180 N182 P183 N187	C161-C185 HydrophobicContact CB-CB 4.09Å; C161-C185 PolarHBondContact SG-SG 3.22Å; C180-C185 HydrophobicContact CB-CB 4.08Å; N182-C185 HydrophobicContact CB-CB 4.09Å; N182-C185 PolarHBondContact O-N 3.25Å; P183-C185 VanDerWaalsContact C-N 3.33Å; C185-N187 PolarHBondContact O-N 3.49Å; C185-N187 VanDerWaalsContact SG-CG 3.5Å; C185-N187 PolarHBondContact SG-OD1 3.48Å
186	A	82.6	Confident	85.5	Confident	95 Å²	95	92.3 Å²	92.3	79%	0.785	46%	0.464	S	S	*	.			trans	-83	7.3	178.7	0	0	0	0	0	113.9
187	N	81.8	Confident	85.7	Confident	7 Å²	7	94 Å²	94	4%	0.037	47%	0.47	C	S	.	.			trans	-77	132.7	-172.5	84.9	-53.5	0	0	0	111.7	C158 D160 C180 C185 R190 F191	C158-N187 PolarHBondContact SG-ND2 2.98Å; C158-N187 PolarHBondContact SG-OD1 3.03Å; C158-N187 VanDerWaalsContact SG-OD1 3.42Å; D160-N187 HydrophobicContact CB-CB 4.11Å; D160-N187 WeakPolarHBondContact OD2-CB 3.5Å; C180-N187 WeakPolarHBondContact CB-OD1 3.34Å; C185-N187 PolarHBondContact O-N 3.49Å; C185-N187 VanDerWaalsContact SG-CG 3.5Å; C185-N187 PolarHBondContact SG-OD1 3.48Å; N187-R190 PolarHBondContact ND2-O 3.06Å; N187-F191 WeakPolarHBondContact ND2-CE1 3.19Å; N187-F191 WeakPolarHBondContact ND2-CZ 3.45Å
188	R	80.8	Confident	85.9	Confident	188 Å²	188	93.8 Å²	93.8	71%	0.709	47%	0.469	S	S	*	.	S	Bend	trans	-128.4	-6.4	-176.5	-62.9	-171.1	178.6	-172.4	-1.7	115.3	N178	N178-R188 WeakPolarHBondContact O-CA 3.5Å; N178-R188 WeakPolarHBondContact O-CB 3.36Å; N178-R188 WeakPolarHBondContact O-CG 3.49Å
189	R	81.9	Confident	86.2	Confident	217 Å²	217	92 Å²	92	82%	0.819	45%	0.453	S	S	*	.	S	Bend	trans	-140.1	-13.5	-174.4	-64.2	-172.9	178.9	-176.3	0.3	114.3	Q176 F191	Q176-R189 PolarHBondContact OE1-O 2.92Å; R189-F191 PolarHBondContact O-N 3.36Å
190	R	85.8	Confident	86.3	Confident	161 Å²	161	90 Å²	90	61%	0.608	44%	0.44	S	S	*	.			trans	-101.7	78	-173.1	-71.1	-174.4	178.8	177.6	-1.2	109.9	L159 N187	L159-R190 HydrophobicContact CB-CB 4.3Å; L159-R190 HydrophobicContact CD1-CB 4.26Å; L159-R190 PolarHBondContact N-O 3.08Å; N187-R190 PolarHBondContact ND2-O 3.06Å
191	F	89.8	Confident	86.7	Confident	13 Å²	13	90 Å²	90	6%	0.057	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.5	176.1	-62.6	-77.3	0	0	0	109	F156 L157 C158 I165 P177 C180 N187 R189	F156-F191 HydrophobicContact CB-CB 4.22Å; F156-F191 HydrophobicContact CD1-CB 3.96Å; F156-F191 HydrophobicContact CG-CB 4.45Å; L157-F191 WeakPolarHBondContact O-CA 3.39Å; C158-F191 HydrophobicContact CB-CD1 4.19Å; C158-F191 HydrophobicContact CB-CE1 4.03Å; I165-F191 HydrophobicContact CD1-CD1 4.04Å; I165-F191 HydrophobicContact CD1-CE1 3.52Å; I165-F191 HydrophobicContact CD1-CZ 4.28Å; P177-F191 HydrophobicContact CG-CB 4.22Å; P177-F191 HydrophobicContact CG-CD1 3.89Å; P177-F191 HydrophobicContact CG-CD2 3.92Å; P177-F191 HydrophobicContact CG-CE1 4.2Å; P177-F191 HydrophobicContact CG-CE2 4.24Å; P177-F191 HydrophobicContact CG-CG 3.74Å; P177-F191 HydrophobicContact CG-CZ 4.36Å; P177-F191 WeakPolarHBondContact O-CD2 3.5Å; P177-F191 WeakPolarHBondContact O-CE2 3.41Å; C180-F191 HydrophobicContact CB-CE1 4.23Å; C180-F191 HydrophobicContact CB-CZ 4.17Å; N187-F191 WeakPolarHBondContact ND2-CE1 3.19Å; N187-F191 WeakPolarHBondContact ND2-CZ 3.45Å; R189-F191 PolarHBondContact O-N 3.36Å
192	L	90.4	Very high	87.1	Confident	100 Å²	100	85.7 Å²	85.7	52%	0.524	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.4	176.1	180	65.8	0	0	0	108.5	F156 L157 L159 D194	F156-L192 CarbonylContact C-O 3.57Å; F156-L192 WeakPolarHBondContact CA-O 3.45Å; L157-L192 PolarHBondContact N-O 3.05Å; L157-L192 PolarHBondContact O-N 3.21Å; L159-L192 HydrophobicContact CD2-CB 4.03Å; L159-L192 HydrophobicContact CD2-CD2 4.38Å; L159-L192 HydrophobicContact CG-CB 4.34Å; L192-D194 PolarHBondContact O-N 2.98Å
193	L	92.3	Very high	87.4	Confident	36 Å²	36	85.6 Å²	85.6	19%	0.188	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.5	174.3	-177.9	72.8	0	0	0	109.6	L151 F156 Y174 T195 S198	L151-L193 HydrophobicContact CD2-CD1 4.12Å; L151-L193 HydrophobicContact CD2-CD2 3.9Å; F156-L193 HydrophobicContact CD1-CB 4.35Å; F156-L193 HydrophobicContact CD1-CD1 4.33Å; F156-L193 HydrophobicContact CD2-CD1 4.48Å; F156-L193 HydrophobicContact CE1-CB 4.16Å; F156-L193 HydrophobicContact CE1-CD1 4.01Å; F156-L193 HydrophobicContact CE2-CD1 4.16Å; F156-L193 HydrophobicContact CZ-CD1 3.93Å; Y174-L193 HydrophobicContact CE2-CD2 4.32Å; L193-T195 HydrophobicContact CD2-CG2 4.3Å; L193-T195 PolarHBondContact O-N 2.75Å; L193-S198 WeakPolarHBondContact CD1-OG 3.29Å
194	D	90.8	Very high	87.8	Confident	33 Å²	33	79.8 Å²	79.8	18%	0.176	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	100.5	167.5	-176	-9.5	0	0	0	108.2	T155 L192 N196 K197 S198	T155-D194 PolarHBondContact O-N 3.34Å; L192-D194 PolarHBondContact O-N 2.98Å; D194-N196 PolarHBondContact O-N 3.47Å; D194-N196 PolarHBondContact OD1-N 2.76Å; D194-N196 VanDerWaalsContact OD1-N 3.11Å; D194-K197 PolarHBondContact O-N 3.13Å; D194-K197 WeakPolarHBondContact OD2-CG 3.42Å; D194-K197 IonicContact OD2-NZ 2.77Å; D194-K197 PolarHBondContact OD2-NZ 3.36Å; D194-S198 WeakPolarHBondContact O-CB 3.32Å; D194-S198 PolarHBondContact O-N 2.65Å; D194-S198 PolarHBondContact O-OG 3.22Å
195	T	89.3	Confident	88.1	Confident	80 Å²	80	75.5 Å²	75.5	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-30.6	-179.2	51.2	0	0	0	0	112.3	L193 K197 S198 F200	L193-T195 HydrophobicContact CD2-CG2 4.3Å; L193-T195 PolarHBondContact O-N 2.75Å; T195-K197 VanDerWaalsContact C-N 3.33Å; T195-K197 PolarHBondContact O-N 3.31Å; T195-S198 PolarHBondContact O-N 3.43Å; T195-F200 WeakPolarHBondContact O-CE2 3.49Å
196	N	89	Confident	88.6	Confident	149 Å²	149	74.4 Å²	74.4	80%	0.797	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-26.4	-174	-58.2	-27.9	0	0	0	112.5	D194	D194-N196 PolarHBondContact O-N 3.47Å; D194-N196 PolarHBondContact OD1-N 2.76Å; D194-N196 VanDerWaalsContact OD1-N 3.11Å
197	K	87.8	Confident	89	Confident	113 Å²	113	73.2 Å²	73.2	49%	0.491	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	3.1	177.3	-59.5	-166.9	-165.1	92.5	0	113.1	T155 D194 T195	T155-K197 HydrophobicContact CG2-CB 4.11Å; T155-K197 PolarHBondContact OG1-O 3.31Å; D194-K197 PolarHBondContact O-N 3.13Å; D194-K197 WeakPolarHBondContact OD2-CG 3.42Å; D194-K197 IonicContact OD2-NZ 2.77Å; D194-K197 PolarHBondContact OD2-NZ 3.36Å; T195-K197 VanDerWaalsContact C-N 3.33Å; T195-K197 PolarHBondContact O-N 3.31Å
198	S	89.8	Confident	89.6	Confident	13 Å²	13	72.9 Å²	72.9	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	154.7	176.7	-69.6	0	0	0	0	110.4	T155 L193 D194 T195	T155-S198 PolarHBondContact N-OG 3.1Å; L193-S198 WeakPolarHBondContact CD1-OG 3.29Å; D194-S198 WeakPolarHBondContact O-CB 3.32Å; D194-S198 PolarHBondContact O-N 2.65Å; D194-S198 PolarHBondContact O-OG 3.22Å; T195-S198 PolarHBondContact O-N 3.43Å
199	R	88.2	Confident	90.1	Very high	83 Å²	83	66.9 Å²	66.9	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.1	-178.3	-66.7	166.9	54.9	-153.1	-10.7	109.3	D109 V152 S153	D109-R199 IonicContact OD1-CZ 3.87Å; D109-R199 VanDerWaalsContact OD1-CZ 3.27Å; D109-R199 IonicContact OD1-NE 2.85Å; D109-R199 PolarHBondContact OD1-NE 3.38Å; D109-R199 IonicContact OD1-NH2 3.29Å; D109-R199 PolarHBondContact OD1-NH2 3.04Å; D109-R199 IonicContact OD2-CZ 4Å; D109-R199 IonicContact OD2-NE 3.22Å; D109-R199 PolarHBondContact OD2-NE 3.37Å; D109-R199 IonicContact OD2-NH2 2.75Å; D109-R199 PolarHBondContact OD2-NH2 2.59Å; V152-R199 PolarHBondContact N-O 3.29Å; S153-R199 PolarHBondContact N-O 3.34Å; S153-R199 PolarHBondContact O-N 3.24Å; S153-R199 WeakPolarHBondContact OG-CB 3.46Å; S153-R199 WeakPolarHBondContact OG-CD 3.29Å
200	F	89.9	Confident	90.5	Very high	93 Å²	93	56.8 Å²	56.8	41%	0.408	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.1	178.2	-63.2	-85	0	0	0	110.1	P149 E150 L151 T195	P149-F200 HydrophobicContact CB-CB 4.5Å; P149-F200 HydrophobicContact CB-CD1 4.41Å; E150-F200 CarbonylContact O-C 3.49Å; E150-F200 VanDerWaalsContact O-CA 3.26Å; E150-F200 WeakPolarHBondContact O-CA 3.4Å; L151-F200 HydrophobicContact CB-CD1 4.11Å; L151-F200 HydrophobicContact CB-CE1 3.88Å; L151-F200 HydrophobicContact CD1-CD1 4.13Å; L151-F200 HydrophobicContact CD1-CE1 3.67Å; L151-F200 HydrophobicContact CD1-CE2 4.43Å; L151-F200 HydrophobicContact CD1-CZ 3.84Å; L151-F200 HydrophobicContact CG-CE1 4.35Å; T195-F200 WeakPolarHBondContact O-CE2 3.49Å
201	V	90.5	Very high	90.4	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.3	170.9	71.2	0	0	0	0	108.8	Y111 E150 V152 F203 A230	Y111-V201 HydrophobicContact CE2-CG2 3.92Å; Y111-V201 WeakPolarHBondContact OH-CG2 3.45Å; E150-V201 HydrophobicContact CB-CG1 4.06Å; E150-V201 PolarHBondContact N-O 3.05Å; E150-V201 PolarHBondContact O-N 3.27Å; V152-V201 HydrophobicContact CG2-CB 3.77Å; V152-V201 HydrophobicContact CG2-CG1 3.29Å; V201-F203 PolarHBondContact O-N 2.67Å; V201-A230 HydrophobicContact CG2-CB 3.97Å
202	D	92.2	Very high	89.9	Confident	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.1	172	-58	-50.1	0	0	0	109.9	V147 R229 A230 V233	V147-D202 HydrophobicContact CG1-CB 3.98Å; D202-R229 WeakPolarHBondContact O-CA 3.45Å; D202-A230 PolarHBondContact O-N 3.48Å; D202-V233 HydrophobicContact CB-CG2 4.15Å
203	F	91.8	Very high	89.3	Confident	47 Å²	47	56.8 Å²	56.8	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.6	-178.1	166.2	-82.4	0	0	0	108.8	H148 E150 V201 K205 I227	H148-F203 PolarHBondContact N-O 2.94Å; H148-F203 WeakPolarHBondContact O-CA 3.36Å; H148-F203 WeakPolarHBondContact O-CB 3.27Å; H148-F203 PolarHBondContact O-N 3.1Å; E150-F203 HydrophobicContact CB-CB 3.68Å; E150-F203 HydrophobicContact CB-CG 4.32Å; E150-F203 WeakPolarHBondContact OE2-CD2 3.37Å; V201-F203 PolarHBondContact O-N 2.67Å; F203-K205 HydrophobicContact CE1-CB 4.19Å; F203-K205 HydrophobicContact CZ-CB 4.35Å; F203-I227 HydrophobicContact CD2-CG2 3.5Å; F203-I227 HydrophobicContact CE2-CB 4.1Å; F203-I227 HydrophobicContact CE2-CD1 3.82Å; F203-I227 HydrophobicContact CE2-CG1 3.74Å; F203-I227 HydrophobicContact CE2-CG2 3.24Å; F203-I227 HydrophobicContact CZ-CD1 4.25Å; F203-I227 HydrophobicContact CZ-CG1 4Å; F203-I227 HydrophobicContact CZ-CG2 4.17Å
204	Q	92.1	Very high	88.8	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.9	173.8	-170.3	-176.5	30.3	0	0	110.2	H145 V206 I227 L228 V233	H145-Q204 VanDerWaalsContact O-CG 3.29Å; H145-Q204 WeakPolarHBondContact O-CG 3.2Å; H145-Q204 PolarHBondContact O-NE2 3.44Å; Q204-V206 HydrophobicContact CG-CG1 4.19Å; Q204-I227 WeakPolarHBondContact O-CA 3.48Å; Q204-L228 HydrophobicContact CB-CB 4.36Å; Q204-L228 PolarHBondContact N-O 3.08Å; Q204-L228 PolarHBondContact O-N 3.35Å; Q204-V233 HydrophobicContact CB-CB 4.36Å; Q204-V233 HydrophobicContact CB-CG1 3.84Å; Q204-V233 HydrophobicContact CB-CG2 3.94Å; Q204-V233 HydrophobicContact CG-CG1 4.49Å
205	K	91.4	Very high	88.6	Confident	37 Å²	37	57.5 Å²	57.5	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.2	174.9	-172.9	-179.4	64.9	169.1	0	109.8	H145 F203 E438	H145-K205 HydrophobicContact CB-CB 4.23Å; H145-K205 VanDerWaalsContact CB-O 3.23Å; H145-K205 WeakPolarHBondContact CB-O 3.42Å; H145-K205 VanDerWaalsContact CE1-CE 3.43Å; H145-K205 WeakPolarHBondContact CE1-CE 3.47Å; H145-K205 PolarHBondContact N-O 2.95Å; H145-K205 PolarHBondContact ND1-O 3.43Å; H145-K205 WeakPolarHBondContact NE2-CE 3.34Å; F203-K205 HydrophobicContact CE1-CB 4.19Å; F203-K205 HydrophobicContact CZ-CB 4.35Å; K205-E438 IonicContact NZ-OE1 3.75Å; K205-E438 IonicContact NZ-OE2 2.65Å; K205-E438 PolarHBondContact NZ-OE2 3.16Å
206	V	92.3	Very high	88.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.5	175.3	-53.4	0	0	0	0	109.9	R143 T144 Q204 I208 V226 L228 F244	R143-V206 WeakPolarHBondContact O-CA 3.34Å; T144-V206 HydrophobicContact CG2-CG1 3.99Å; Q204-V206 HydrophobicContact CG-CG1 4.19Å; V206-I208 HydrophobicContact CG2-CG2 4.39Å; V206-V226 HydrophobicContact CG2-CB 3.69Å; V206-V226 HydrophobicContact CG2-CG1 4.1Å; V206-V226 PolarHBondContact N-O 2.91Å; V206-V226 PolarHBondContact O-N 3.38Å; V206-V226 VanDerWaalsContact O-O 3.07Å; V206-L228 HydrophobicContact CG1-CD1 3.76Å; V206-L228 HydrophobicContact CG1-CG 4.47Å; V206-L228 HydrophobicContact CG2-CD1 4.12Å; V206-L228 HydrophobicContact CG2-CG 4.28Å; V206-F244 HydrophobicContact CG2-CE1 4.39Å
207	R	92	Very high	88.4	Confident	70 Å²	70	61.3 Å²	61.3	26%	0.264	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	175.6	-177.6	168.2	-74.1	170.2	3.3	108.7	V142 R143 E225 E438	V142-R207 PolarHBondContact N-O 3.47Å; R143-R207 HydrophobicContact CB-CB 4.49Å; R143-R207 PolarHBondContact N-O 3.02Å; R143-R207 PolarHBondContact O-N 2.9Å; R207-E225 IonicContact CZ-OE1 2.73Å; R207-E225 IonicContact NH2-OE1 3.04Å; R207-E225 PolarHBondContact NH2-OE1 3.22Å; R207-E438 IonicContact NH2-OE1 3.31Å
208	I	93.3	Very high	88.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	156	178.9	68	165.5	0	0	0	110.5	I123 I137 Q140 V141 V206 S223 L224 V226 F244	I123-I208 HydrophobicContact CD1-CD1 4.01Å; I123-I208 HydrophobicContact CD1-CG1 4.29Å; I137-I208 HydrophobicContact CD1-CD1 3.66Å; I137-I208 HydrophobicContact CG1-CD1 4.43Å; Q140-I208 CarbonylContact O-C 3.57Å; Q140-I208 VanDerWaalsContact O-CA 3.28Å; Q140-I208 WeakPolarHBondContact O-CA 3.42Å; V141-I208 HydrophobicContact CG2-CG2 4.44Å; V206-I208 HydrophobicContact CG2-CG2 4.39Å; I208-S223 CarbonylContact O-C 3.58Å; I208-S223 WeakPolarHBondContact O-CA 3.42Å; I208-S223 WeakPolarHBondContact O-CB 3.38Å; I208-L224 HydrophobicContact CD1-CB 4.42Å; I208-L224 HydrophobicContact CD1-CD2 4.48Å; I208-L224 HydrophobicContact CG1-CB 4.03Å; I208-L224 WeakPolarHBondContact CG1-O 3.29Å; I208-L224 PolarHBondContact N-O 3.1Å; I208-L224 PolarHBondContact O-N 3.48Å; I208-V226 HydrophobicContact CB-CG2 4.48Å; I208-V226 HydrophobicContact CD1-CG2 3.62Å; I208-V226 HydrophobicContact CG1-CG2 3.78Å; I208-V226 HydrophobicContact CG2-CG2 3.9Å; I208-F244 HydrophobicContact CD1-CD2 4.34Å; I208-F244 HydrophobicContact CD1-CE2 4.49Å; I208-F244 HydrophobicContact CG2-CD2 4.33Å; I208-F244 HydrophobicContact CG2-CE2 3.55Å; I208-F244 HydrophobicContact CG2-CZ 3.76Å
209	Q	91.9	Very high	88.4	Confident	61 Å²	61	62.2 Å²	62.2	29%	0.285	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.6	177.3	-176.1	173.8	36.7	0	0	110.8	G139 Q140 V142 T211 P221	G139-Q209 CarbonylContact C-O 3.4Å; G139-Q209 VanDerWaalsContact CA-O 3.3Å; G139-Q209 WeakPolarHBondContact CA-O 3.41Å; Q140-Q209 PolarHBondContact N-O 3.13Å; Q140-Q209 PolarHBondContact O-N 3.47Å; V142-Q209 HydrophobicContact CG2-CB 3.37Å; V142-Q209 HydrophobicContact CG2-CG 4.38Å; Q209-T211 PolarHBondContact O-N 3.05Å; Q209-P221 HydrophobicContact CG-CB 3.84Å; Q209-P221 HydrophobicContact CG-CG 4.45Å
210	E	90.9	Very high	88.5	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.028	35%	0.349	C	S	.	.			trans	-56.4	132.1	175.4	-168	169.6	-154.7	0	0	110.9	I123 R124 E214 L215 R222	I123-E210 HydrophobicContact CD1-CB 4.21Å; R124-E210 VanDerWaalsContact CD-OE1 3.29Å; R124-E210 WeakPolarHBondContact CD-OE1 3.4Å; R124-E210 WeakPolarHBondContact CG-OE1 3.24Å; R124-E210 IonicContact CZ-OE2 3.27Å; R124-E210 IonicContact NE-OE1 2.66Å; R124-E210 PolarHBondContact NE-OE1 3.24Å; R124-E210 IonicContact NE-OE2 3.49Å; R124-E210 PolarHBondContact NE-OE2 3.05Å; R124-E210 IonicContact NH2-OE2 2.82Å; R124-E210 PolarHBondContact NH2-OE2 3.3Å; E210-E214 HydrophobicContact CG-CB 4.38Å; E210-L215 HydrophobicContact CB-CD2 4.13Å; E210-L215 HydrophobicContact CG-CD2 3.88Å; E210-L215 WeakPolarHBondContact OE2-CD2 3.46Å; E210-R222 PolarHBondContact N-O 3.23Å; E210-R222 VanDerWaalsContact N-O 3.12Å
211	T	83.5	Confident	88.5	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.098	35%	0.346	C	S	.	.			trans	-70.7	147.7	179.7	-174.8	0	0	0	0	111.3	Q209 A213 E214	Q209-T211 PolarHBondContact O-N 3.05Å; T211-A213 PolarHBondContact O-N 3.41Å; T211-E214 HydrophobicContact CG2-CB 3.79Å; T211-E214 VanDerWaalsContact CG2-CD 3.43Å; T211-E214 HydrophobicContact CG2-CG 3.48Å; T211-E214 VanDerWaalsContact CG2-CG 3.48Å; T211-E214 PolarHBondContact O-N 2.84Å
212	Q	77.8	Confident	88.5	Confident	160 Å²	160	69.3 Å²	69.3	75%	0.748	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58	-34.3	-176.5	-67.2	-176.4	2.4	0	0	113.5	E214 L215	Q212-E214 PolarHBondContact O-N 3.15Å; Q212-L215 PolarHBondContact O-N 3.4Å
213	A	79.4	Confident	88.5	Confident	98 Å²	98	68.9 Å²	68.9	81%	0.81	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-65.9	-22.9	179.2	0	0	0	0	0	113.3	T211	T211-A213 PolarHBondContact O-N 3.41Å
214	E	81.1	Confident	88.5	Confident	26 Å²	26	67.8 Å²	67.8	12%	0.121	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-97.7	-6.6	-177.5	-68.6	175.4	-162.8	0	0	112.7	R120 K122 E210 T211 Q212 P216	R120-E214 IonicContact CZ-OE1 2.7Å; R120-E214 IonicContact NE-OE1 3.59Å; R120-E214 IonicContact NH2-OE1 3.3Å; R120-E214 PolarHBondContact NH2-OE1 3.02Å; K122-E214 HydrophobicContact CD-CB 4.37Å; K122-E214 HydrophobicContact CD-CG 4.34Å; K122-E214 HydrophobicContact CG-CG 4.48Å; E210-E214 HydrophobicContact CG-CB 4.38Å; T211-E214 HydrophobicContact CG2-CB 3.79Å; T211-E214 VanDerWaalsContact CG2-CD 3.43Å; T211-E214 HydrophobicContact CG2-CG 3.48Å; T211-E214 VanDerWaalsContact CG2-CG 3.48Å; T211-E214 PolarHBondContact O-N 2.84Å; Q212-E214 PolarHBondContact O-N 3.15Å; E214-P216 WeakPolarHBondContact O-CD 3.3Å
215	L	86.2	Confident	88.5	Confident	58 Å²	58	69 Å²	69	30%	0.304	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.2	124.7	-175	-71.4	174.7	0	0	0	112.5	E210 Q212 P221	E210-L215 HydrophobicContact CB-CD2 4.13Å; E210-L215 HydrophobicContact CG-CD2 3.88Å; E210-L215 WeakPolarHBondContact OE2-CD2 3.46Å; Q212-L215 PolarHBondContact O-N 3.4Å; L215-P221 HydrophobicContact CD1-CB 4.47Å; L215-P221 HydrophobicContact CD2-CB 3.78Å
216	P	87.5	Confident	88.7	Confident	55 Å²	55	67.2 Å²	67.2	36%	0.357	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.3	144.1	169	25.9	-27.9	0	0	0	110.6	E214 G218 S219	E214-P216 WeakPolarHBondContact O-CD 3.3Å; P216-G218 PolarHBondContact O-N 2.84Å; P216-S219 PolarHBondContact O-N 3.44Å
217	R	87.5	Confident	88.8	Confident	254 Å²	254	67.7 Å²	67.7	96%	0.958	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127	-177.6	-63.2	-175	-179.5	-149.1	0	110.9
218	G	87.4	Confident	88.8	Confident	91 Å²	91	64.4 Å²	64.4	94%	0.938	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	9.7	174.8	0	0	0	0	0	116.1	P216	P216-G218 PolarHBondContact O-N 2.84Å
219	S	89.9	Confident	88.7	Confident	54 Å²	54	67.5 Å²	67.5	38%	0.378	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-103	145.8	175	-70.5	0	0	0	0	112.6	P216	P216-S219 PolarHBondContact O-N 3.44Å
220	I	89.6	Confident	88.4	Confident	145 Å²	145	64.9 Å²	64.9	74%	0.744	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-69.6	142.6	167.7	59.6	172.7	0	0	0	110.7	R124	R124-I220 PolarHBondContact NH2-O 3.02Å
221	P	90.2	Very high	88.3	Confident	51 Å²	51	67.5 Å²	67.5	33%	0.331	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-65.1	132.2	175.5	26.6	-34.9	0	0	0	110.5	Q209 L215	Q209-P221 HydrophobicContact CG-CB 3.84Å; Q209-P221 HydrophobicContact CG-CG 4.45Å; L215-P221 HydrophobicContact CD1-CB 4.47Å; L215-P221 HydrophobicContact CD2-CB 3.78Å
222	R	91.1	Very high	88.5	Confident	137 Å²	137	67.2 Å²	67.2	52%	0.517	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-83.5	149.1	174.1	-65.8	-174.1	-177.1	178	0.8	110.3	E210	E210-R222 PolarHBondContact N-O 3.23Å; E210-R222 VanDerWaalsContact N-O 3.12Å
223	S	91	Very high	89.1	Confident	73 Å²	73	60.5 Å²	60.5	51%	0.51	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.1	172	57.5	0	0	0	0	110.8	I208	I208-S223 CarbonylContact O-C 3.58Å; I208-S223 WeakPolarHBondContact O-CA 3.42Å; I208-S223 WeakPolarHBondContact O-CB 3.38Å
224	L	91.9	Very high	89.6	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.12	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.7	178.4	-175.4	70.9	0	0	0	108.9	I123 L126 I137 I208 F298	I123-L224 HydrophobicContact CG2-CB 4.17Å; L126-L224 HydrophobicContact CD1-CD2 3.49Å; L126-L224 VanDerWaalsContact CD1-CD2 3.49Å; I137-L224 HydrophobicContact CD1-CD2 3.85Å; I208-L224 HydrophobicContact CD1-CB 4.42Å; I208-L224 HydrophobicContact CD1-CD2 4.48Å; I208-L224 HydrophobicContact CG1-CB 4.03Å; I208-L224 WeakPolarHBondContact CG1-O 3.29Å; I208-L224 PolarHBondContact N-O 3.1Å; I208-L224 PolarHBondContact O-N 3.48Å; L224-F298 HydrophobicContact CD2-CB 3.79Å; L224-F298 HydrophobicContact CD2-CG 4.36Å; L224-F298 HydrophobicContact CG-CB 4.37Å
225	E	92.9	Very high	89.8	Confident	34 Å²	34	63.8 Å²	63.8	16%	0.159	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.9	172	-64.1	-174.5	-177.2	0	0	109.8	R207 R295 V297 F298	R207-E225 IonicContact CZ-OE1 2.73Å; R207-E225 IonicContact NH2-OE1 3.04Å; R207-E225 PolarHBondContact NH2-OE1 3.22Å; E225-R295 IonicContact OE2-CZ 3.98Å; E225-R295 IonicContact OE2-NH1 2.8Å; E225-R295 PolarHBondContact OE2-NH1 3.41Å; E225-R295 IonicContact OE2-NH2 2.99Å; E225-V297 HydrophobicContact CB-CG1 4.25Å; E225-V297 WeakPolarHBondContact O-CG1 3.33Å; E225-F298 PolarHBondContact O-N 3.07Å
226	V	94.5	Very high	89.8	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.6	175.3	178.3	0	0	0	0	108.3	I137 V206 I208 L228 F244 F298 A300	I137-V226 HydrophobicContact CD1-CG2 4.35Å; V206-V226 HydrophobicContact CG2-CB 3.69Å; V206-V226 HydrophobicContact CG2-CG1 4.1Å; V206-V226 PolarHBondContact N-O 2.91Å; V206-V226 PolarHBondContact O-N 3.38Å; V206-V226 VanDerWaalsContact O-O 3.07Å; I208-V226 HydrophobicContact CB-CG2 4.48Å; I208-V226 HydrophobicContact CD1-CG2 3.62Å; I208-V226 HydrophobicContact CG1-CG2 3.78Å; I208-V226 HydrophobicContact CG2-CG2 3.9Å; V226-L228 HydrophobicContact CG1-CD2 4.24Å; V226-F244 HydrophobicContact CG1-CD1 3.88Å; V226-F244 HydrophobicContact CG1-CE1 4.28Å; V226-F244 HydrophobicContact CG1-CG 4.29Å; V226-F298 CarbonylContact C-O 3.48Å; V226-F298 VanDerWaalsContact CA-O 3.25Å; V226-F298 WeakPolarHBondContact CA-O 3.36Å; V226-F298 HydrophobicContact CG1-CD1 4.15Å; V226-F298 HydrophobicContact CG2-CB 4.01Å; V226-F298 HydrophobicContact CG2-CD1 4.21Å; V226-F298 HydrophobicContact CG2-CG 4.5Å; V226-A300 HydrophobicContact CG1-CB 3.58Å
227	I	94.4	Very high	89.7	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.8	172.5	-67.7	166.3	0	0	0	107.7	F203 Q204 R229 V297 F298 L299 A300	F203-I227 HydrophobicContact CD2-CG2 3.5Å; F203-I227 HydrophobicContact CE2-CB 4.1Å; F203-I227 HydrophobicContact CE2-CD1 3.82Å; F203-I227 HydrophobicContact CE2-CG1 3.74Å; F203-I227 HydrophobicContact CE2-CG2 3.24Å; F203-I227 HydrophobicContact CZ-CD1 4.25Å; F203-I227 HydrophobicContact CZ-CG1 4Å; F203-I227 HydrophobicContact CZ-CG2 4.17Å; Q204-I227 WeakPolarHBondContact O-CA 3.48Å; I227-R229 HydrophobicContact CG2-CG 4.16Å; I227-V297 HydrophobicContact CD1-CG1 3.47Å; I227-V297 VanDerWaalsContact CD1-CG1 3.47Å; I227-V297 HydrophobicContact CG1-CG1 3.75Å; I227-F298 PolarHBondContact N-O 3.39Å; I227-L299 HydrophobicContact CB-CD1 3.92Å; I227-L299 HydrophobicContact CG2-CD1 3.64Å; I227-A300 PolarHBondContact O-N 3.16Å
228	L	93.3	Very high	89.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.4	170.3	-56.3	171.6	0	0	0	108.5	Q204 V206 V226 V233 A236 F244 A300 V303	Q204-L228 HydrophobicContact CB-CB 4.36Å; Q204-L228 PolarHBondContact N-O 3.08Å; Q204-L228 PolarHBondContact O-N 3.35Å; V206-L228 HydrophobicContact CG1-CD1 3.76Å; V206-L228 HydrophobicContact CG1-CG 4.47Å; V206-L228 HydrophobicContact CG2-CD1 4.12Å; V206-L228 HydrophobicContact CG2-CG 4.28Å; V226-L228 HydrophobicContact CG1-CD2 4.24Å; L228-V233 HydrophobicContact CB-CG2 4.32Å; L228-A236 HydrophobicContact CD1-CB 4.01Å; L228-F244 HydrophobicContact CD2-CD1 4.09Å; L228-F244 HydrophobicContact CD2-CE1 4.11Å; L228-A300 HydrophobicContact CD2-CB 3.85Å; L228-V303 HydrophobicContact CD2-CB 4.47Å
229	R	90	Very high	89	Confident	66 Å²	66	49.9 Å²	49.9	25%	0.249	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.4	178.5	-75.1	-175.1	171.2	159	-3.2	111.4	E150 D202 I227 A232 L299	E150-R229 VanDerWaalsContact CD-NH2 3.31Å; E150-R229 IonicContact OE1-CZ 2.95Å; E150-R229 IonicContact OE1-NH2 2.68Å; E150-R229 PolarHBondContact OE1-NH2 2.93Å; E150-R229 IonicContact OE2-CZ 3.92Å; E150-R229 VanDerWaalsContact OE2-CZ 3.29Å; E150-R229 IonicContact OE2-NE 3.27Å; E150-R229 PolarHBondContact OE2-NE 3.31Å; E150-R229 IonicContact OE2-NH2 2.72Å; E150-R229 PolarHBondContact OE2-NH2 3.23Å; D202-R229 WeakPolarHBondContact O-CA 3.45Å; I227-R229 HydrophobicContact CG2-CG 4.16Å; R229-A232 PolarHBondContact O-N 3.37Å; R229-L299 HydrophobicContact CG-CD1 4.31Å
230	A	87	Confident	88.6	Confident	5 Å²	5	50.6 Å²	50.6	4%	0.041	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	56.1	-136.5	176	0	0	0	0	0	111.5	T60 Y111 V201 D202 A232 V233	T60-A230 HydrophobicContact CG2-CB 4.05Å; Y111-A230 HydrophobicContact CD2-CB 3.44Å; Y111-A230 VanDerWaalsContact CD2-CB 3.44Å; Y111-A230 HydrophobicContact CE2-CB 3.64Å; Y111-A230 HydrophobicContact CG-CB 4.19Å; V201-A230 HydrophobicContact CG2-CB 3.97Å; D202-A230 PolarHBondContact O-N 3.48Å; A230-A232 PolarHBondContact O-N 3.21Å; A230-V233 WeakPolarHBondContact O-CB 3.32Å; A230-V233 VanDerWaalsContact O-CG2 3.25Å; A230-V233 WeakPolarHBondContact O-CG2 3.31Å; A230-V233 PolarHBondContact O-N 3.27Å
231	E	88.4	Confident	88.4	Confident	62 Å²	62	49.5 Å²	49.5	29%	0.29	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.5	-16.8	-175.9	-161	-178.4	151.9	0	0	114.1	R58 T60 V233	R58-E231 VanDerWaalsContact CD-OE1 3.31Å; R58-E231 WeakPolarHBondContact CD-OE1 3.3Å; R58-E231 IonicContact CZ-OE1 2.81Å; R58-E231 IonicContact CZ-OE2 3.62Å; R58-E231 IonicContact NE-OE1 2.59Å; R58-E231 PolarHBondContact NE-OE1 2.69Å; R58-E231 IonicContact NE-OE2 3.86Å; R58-E231 PolarHBondContact NE-OE2 2.95Å; R58-E231 IonicContact NH2-OE1 3.88Å; R58-E231 PolarHBondContact NH2-OE1 3.43Å; R58-E231 IonicContact NH2-OE2 2.62Å; T60-E231 HydrophobicContact CG2-CB 3.44Å; T60-E231 VanDerWaalsContact CG2-CB 3.44Å; T60-E231 PolarHBondContact N-OE2 3.04Å; T60-E231 VanDerWaalsContact OG1-CD 3.3Å; T60-E231 PolarHBondContact OG1-OE2 2.83Å; E231-V233 PolarHBondContact O-N 2.89Å
232	A	87.5	Confident	88.3	Confident	10 Å²	10	47.3 Å²	47.3	8%	0.083	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-73.5	-7.5	177.3	0	0	0	0	0	113.3	R229 A230 S235 V303	R229-A232 PolarHBondContact O-N 3.37Å; A230-A232 PolarHBondContact O-N 3.21Å; A232-S235 WeakPolarHBondContact O-CB 3.48Å; A232-S235 PolarHBondContact O-OG 2.86Å; A232-V303 HydrophobicContact CB-CG1 4.31Å
233	V	90.8	Very high	88.3	Confident	18 Å²	18	40.9 Å²	40.9	11%	0.109	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	146.7	173.3	171.2	0	0	0	0	110	V147 D202 Q204 L228 A230 E231 S235	V147-V233 HydrophobicContact CB-CG1 4.12Å; V147-V233 HydrophobicContact CG1-CG1 3.74Å; V147-V233 HydrophobicContact CG2-CG1 3.27Å; D202-V233 HydrophobicContact CB-CG2 4.15Å; Q204-V233 HydrophobicContact CB-CB 4.36Å; Q204-V233 HydrophobicContact CB-CG1 3.84Å; Q204-V233 HydrophobicContact CB-CG2 3.94Å; Q204-V233 HydrophobicContact CG-CG1 4.49Å; L228-V233 HydrophobicContact CB-CG2 4.32Å; A230-V233 WeakPolarHBondContact O-CB 3.32Å; A230-V233 VanDerWaalsContact O-CG2 3.25Å; A230-V233 WeakPolarHBondContact O-CG2 3.31Å; A230-V233 PolarHBondContact O-N 3.27Å; E231-V233 PolarHBondContact O-N 2.89Å; V233-S235 PolarHBondContact O-N 2.91Å
234	E	88.4	Confident	88.5	Confident	126 Å²	126	37.4 Å²	37.4	59%	0.589	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	-1	-177.3	-69.3	-179.4	173.5	0	0	116.1	V147 A236 Q237	V147-E234 HydrophobicContact CG2-CG 3.93Å; E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.17Å; E234-Q237 PolarHBondContact O-NE2 3.42Å
235	S	86.2	Confident	88.6	Confident	68 Å²	68	36.6 Å²	36.6	48%	0.476	20%	0.196	S	C	.	.	S	Bend	trans	-73.5	-19.9	176	-63.2	0	0	0	0	113.1	A232 V233	A232-S235 WeakPolarHBondContact O-CB 3.48Å; A232-S235 PolarHBondContact O-OG 2.86Å; V233-S235 PolarHBondContact O-N 2.91Å
236	A	87.1	Confident	88.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-107.9	119.4	177.6	0	0	0	0	0	109.9	V141 T144 L228 E234 F244 V303	V141-A236 HydrophobicContact CG2-CB 4.09Å; T144-A236 WeakPolarHBondContact CG2-O 3.38Å; L228-A236 HydrophobicContact CD1-CB 4.01Å; E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.17Å; A236-F244 HydrophobicContact CB-CE1 4.14Å; A236-F244 HydrophobicContact CB-CZ 4.25Å; A236-V303 HydrophobicContact CB-CG2 4.28Å
237	Q	84.3	Confident	88.7	Confident	94 Å²	94	35 Å²	35	44%	0.439	19%	0.189	S	C	.	.			trans	-107.2	156.3	177.7	-60.7	-63.1	-34.6	0	0	111.5	V141 E234 G239 D240	V141-Q237 VanDerWaalsContact CB-O 3.24Å; V141-Q237 WeakPolarHBondContact CB-O 3.49Å; E234-Q237 PolarHBondContact O-NE2 3.42Å; Q237-G239 PolarHBondContact O-N 2.83Å; Q237-D240 WeakPolarHBondContact CB-OD2 3.27Å; Q237-D240 WeakPolarHBondContact O-CB 3.37Å; Q237-D240 PolarHBondContact O-N 3.47Å
238	A	82	Confident	88.7	Confident	44 Å²	44	34.6 Å²	34.6	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	133.6	178.6	0	0	0	0	0	111.1
239	G	77.9	Confident	88.7	Confident	28 Å²	28	34.9 Å²	34.9	29%	0.289	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-22	-176.8	0	0	0	0	0	114.2	Q140 V141 Q237	Q140-G239 PolarHBondContact NE2-O 2.99Å; Q140-G239 VanDerWaalsContact NE2-O 3.08Å; V141-G239 PolarHBondContact O-N 3.11Å; Q237-G239 PolarHBondContact O-N 2.83Å
240	D	81.6	Confident	88.7	Confident	68 Å²	68	34.6 Å²	34.6	36%	0.364	19%	0.193	S	C	.	.			trans	-71.7	149.9	-178.3	-73.4	-24.9	0	0	0	112.8	Q140 V141 Q237	Q140-D240 CarbonylContact C-O 3.56Å; Q140-D240 WeakPolarHBondContact CA-O 3.31Å; V141-D240 PolarHBondContact N-O 2.63Å; Q237-D240 WeakPolarHBondContact CB-OD2 3.27Å; Q237-D240 WeakPolarHBondContact O-CB 3.37Å; Q237-D240 PolarHBondContact O-N 3.47Å
241	K	86	Confident	88.7	Confident	122 Å²	122	35 Å²	35	53%	0.53	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	104.4	171.7	-64.5	177.4	-175.7	173.8	0	107.9	T306	K241-T306 PolarHBondContact O-N 3.34Å; K241-T306 PolarHBondContact O-OG1 3.49Å
242	C	88.8	Confident	88.5	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.034	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.7	-176.2	-58.1	0	0	0	0	110.6	G139 F244 V303 A304	G139-C242 PolarHBondContact N-O 2.98Å; G139-C242 VanDerWaalsContact N-O 3.11Å; G139-C242 PolarHBondContact O-N 2.92Å; G139-C242 VanDerWaalsContact O-N 3.12Å; C242-F244 HydrophobicContact CB-CD2 4.41Å; C242-F244 HydrophobicContact CB-CE1 4.31Å; C242-F244 HydrophobicContact CB-CE2 3.67Å; C242-F244 HydrophobicContact CB-CZ 3.62Å; C242-V303 HydrophobicContact CB-CG2 3.78Å; C242-A304 CarbonylContact C-O 3.56Å; C242-A304 WeakPolarHBondContact CA-O 3.43Å
243	D	91.4	Very high	88	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.7	165.9	-72.7	2.3	0	0	0	108.8	R120 R136 I137 S138 V303 A304 T306	R120-D243 IonicContact NH1-OD1 2.69Å; R136-D243 IonicContact CZ-OD2 3.89Å; R136-D243 IonicContact NE-OD2 3.54Å; R136-D243 PolarHBondContact NE-OD2 2.55Å; R136-D243 IonicContact NH2-OD2 3.38Å; R136-D243 PolarHBondContact NH2-OD2 3.13Å; I137-D243 CarbonylContact O-C 3.59Å; I137-D243 WeakPolarHBondContact O-CA 3.49Å; S138-D243 WeakPolarHBondContact CB-OD1 3.29Å; S138-D243 PolarHBondContact OG-OD1 3.4Å; D243-V303 WeakPolarHBondContact O-CA 3.34Å; D243-A304 PolarHBondContact N-O 2.99Å; D243-A304 PolarHBondContact O-N 3.31Å; D243-T306 WeakPolarHBondContact OD1-CB 3Å; D243-T306 WeakPolarHBondContact OD1-CG2 3.42Å; D243-T306 PolarHBondContact OD1-OG1 3.26Å
244	F	93.8	Very high	87.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.6	178.8	-58.2	-87.4	0	0	0	108.9	R136 I137 V141 V206 I208 V226 L228 A236 C242 F298 A300 V303	R136-F244 CarbonylContact C-O 3.48Å; R136-F244 WeakPolarHBondContact CA-O 3.36Å; I137-F244 HydrophobicContact CD1-CB 4.5Å; I137-F244 HydrophobicContact CG1-CB 3.88Å; I137-F244 PolarHBondContact N-O 3.06Å; I137-F244 PolarHBondContact O-N 3.39Å; V141-F244 HydrophobicContact CG2-CZ 3.94Å; V206-F244 HydrophobicContact CG2-CE1 4.39Å; I208-F244 HydrophobicContact CD1-CD2 4.34Å; I208-F244 HydrophobicContact CD1-CE2 4.49Å; I208-F244 HydrophobicContact CG2-CD2 4.33Å; I208-F244 HydrophobicContact CG2-CE2 3.55Å; I208-F244 HydrophobicContact CG2-CZ 3.76Å; V226-F244 HydrophobicContact CG1-CD1 3.88Å; V226-F244 HydrophobicContact CG1-CE1 4.28Å; V226-F244 HydrophobicContact CG1-CG 4.29Å; L228-F244 HydrophobicContact CD2-CD1 4.09Å; L228-F244 HydrophobicContact CD2-CE1 4.11Å; A236-F244 HydrophobicContact CB-CE1 4.14Å; A236-F244 HydrophobicContact CB-CZ 4.25Å; C242-F244 HydrophobicContact CB-CD2 4.41Å; C242-F244 HydrophobicContact CB-CE1 4.31Å; C242-F244 HydrophobicContact CB-CE2 3.67Å; C242-F244 HydrophobicContact CB-CZ 3.62Å; F244-F298 HydrophobicContact CB-CD1 4.39Å; F244-F298 HydrophobicContact CB-CE1 3.95Å; F244-A300 HydrophobicContact CB-CB 4.13Å; F244-A300 HydrophobicContact CD1-CB 4.15Å; F244-V303 HydrophobicContact CD1-CB 4.06Å; F244-V303 HydrophobicContact CD1-CG2 3.82Å; F244-V303 HydrophobicContact CE1-CB 4.17Å; F244-V303 HydrophobicContact CE1-CG2 3.57Å; F244-V303 HydrophobicContact CZ-CG2 4.22Å
245	T	94.4	Very high	86.2	Confident	6 Å²	6	36 Å²	36	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.2	171.6	-60.7	0	0	0	0	109.1	F114 L117 L134 C301 C302	F114-T245 HydrophobicContact CB-CG2 4.35Å; F114-T245 WeakPolarHBondContact O-CB 3.25Å; F114-T245 VanDerWaalsContact O-CG2 3.3Å; F114-T245 WeakPolarHBondContact O-CG2 2.98Å; L117-T245 HydrophobicContact CD1-CG2 3.52Å; L117-T245 HydrophobicContact CD2-CG2 4.25Å; L117-T245 HydrophobicContact CG-CG2 4.46Å; L134-T245 HydrophobicContact CD1-CG2 3.97Å; L134-T245 HydrophobicContact CG-CG2 4.43Å; T245-C301 PolarHBondContact O-N 3.38Å; T245-C301 PolarHBondContact O-SG 3.04Å; T245-C302 PolarHBondContact N-O 3.26Å; T245-C302 PolarHBondContact O-N 3.33Å
246	G	94.1	Very high	85.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-153.4	179.9	0	0	0	0	0	113.1	T135 L299	T135-G246 PolarHBondContact N-O 3.05Å; T135-G246 PolarHBondContact O-N 2.75Å; T135-G246 PolarHBondContact OG1-O 2.92Å; G246-L299 CarbonylContact C-O 3.55Å; G246-L299 VanDerWaalsContact CA-O 3.26Å; G246-L299 WeakPolarHBondContact CA-O 3.19Å
247	T	94.8	Very high	83.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.9	-172.6	-172.5	0	0	0	0	111.9	F83 Y84 G132 L133 I249 L299	F83-T247 HydrophobicContact CD1-CG2 3.9Å; F83-T247 HydrophobicContact CE1-CG2 4.16Å; Y84-T247 HydrophobicContact CD2-CG2 4.26Å; G132-T247 VanDerWaalsContact C-OG1 3.23Å; G132-T247 VanDerWaalsContact CA-OG1 3.31Å; G132-T247 WeakPolarHBondContact CA-OG1 3.26Å; L133-T247 VanDerWaalsContact O-CA 3.29Å; L133-T247 WeakPolarHBondContact O-CA 3.22Å; L133-T247 WeakPolarHBondContact O-CB 3.44Å; L133-T247 PolarHBondContact O-OG1 3.44Å; T247-I249 HydrophobicContact CG2-CG2 4.02Å; T247-L299 HydrophobicContact CG2-CB 4.22Å; T247-L299 HydrophobicContact CG2-CD2 4.41Å; T247-L299 PolarHBondContact N-O 3.36Å; T247-L299 PolarHBondContact O-N 3.38Å
248	L	95.3	Very high	82.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.9	174.6	-171.4	69.1	0	0	0	108.9	L126 I131 G132 L296 F298	L126-L248 HydrophobicContact CB-CD2 4.3Å; I131-L248 WeakPolarHBondContact CA-O 3.27Å; I131-L248 HydrophobicContact CG1-CD2 4.15Å; I131-L248 HydrophobicContact CG1-CG 4.43Å; I131-L248 WeakPolarHBondContact CG2-O 3.47Å; G132-L248 PolarHBondContact N-O 3.09Å; L248-L296 HydrophobicContact CD1-CB 4.33Å; L248-L296 HydrophobicContact CD2-CD2 4.37Å; L248-L296 HydrophobicContact CG-CD2 4.46Å; L248-F298 HydrophobicContact CB-CD2 4.48Å; L248-F298 HydrophobicContact CD1-CD2 4.23Å
249	I	92.9	Very high	81.2	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	159.8	179.3	60.4	165.2	0	0	0	111.1	Y84 F172 T247 V251 V297 L299	Y84-I249 HydrophobicContact CD2-CG2 4.07Å; Y84-I249 HydrophobicContact CE2-CG2 3.99Å; F172-I249 HydrophobicContact CE1-CD1 3.73Å; F172-I249 HydrophobicContact CZ-CD1 3.55Å; T247-I249 HydrophobicContact CG2-CG2 4.02Å; I249-V251 HydrophobicContact CD1-CG2 3.97Å; I249-V251 HydrophobicContact CG1-CG2 4.33Å; I249-V297 HydrophobicContact CG1-CB 4.22Å; I249-V297 WeakPolarHBondContact CG1-O 3.44Å; I249-V297 PolarHBondContact N-O 3.18Å; I249-V297 PolarHBondContact O-N 3.39Å; I249-L299 HydrophobicContact CD1-CB 3.98Å; I249-L299 HydrophobicContact CD1-CD2 4.46Å; I249-L299 HydrophobicContact CG1-CB 4.12Å; I249-L299 HydrophobicContact CG2-CB 4.23Å
250	V	90.6	Very high	79.5	Confident	59 Å²	59	46.3 Å²	46.3	36%	0.358	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.8	174.6	67.3	0	0	0	0	109	Y294	V250-Y294 VanDerWaalsContact CG2-CB 3.47Å; V250-Y294 HydrophobicContact CG2-CD1 3.64Å; V250-Y294 HydrophobicContact CG2-CG 3.79Å
251	V	87.3	Confident	78.1	Confident	13 Å²	13	47 Å²	47	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.9	179.7	-179.9	0	0	0	0	108.8	I249 R295 V297	I249-V251 HydrophobicContact CD1-CG2 3.97Å; I249-V251 HydrophobicContact CG1-CG2 4.33Å; V251-R295 HydrophobicContact CB-CG 4.17Å; V251-R295 PolarHBondContact N-O 3.3Å; V251-R295 PolarHBondContact O-N 2.9Å; V251-V297 HydrophobicContact CB-CG2 4.01Å; V251-V297 HydrophobicContact CG2-CB 3.94Å; V251-V297 HydrophobicContact CG2-CG2 3.62Å
252	P	83.3	Confident	76.3	Confident	32 Å²	32	44.3 Å²	44.3	21%	0.208	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	147.4	174.7	29.4	-33	0	0	0	111.2	V254 Y294	P252-V254 PolarHBondContact O-N 3.42Å; P252-V254 VanDerWaalsContact O-N 3.15Å; P252-Y294 HydrophobicContact CB-CD1 4.03Å; P252-Y294 HydrophobicContact CB-CE1 3.84Å
253	D	77.9	Confident	74.3	Confident	57 Å²	57	54.4 Å²	54.4	31%	0.305	33%	0.327	S	S	.	.			trans	-73.6	103.1	168.3	-176.4	-2.1	0	0	0	110.4	S255 K256 L257 S293	D253-S255 PolarHBondContact O-N 2.84Å; D253-S255 WeakPolarHBondContact OD1-CB 3.31Å; D253-S255 PolarHBondContact OD1-N 3.08Å; D253-S255 VanDerWaalsContact OD1-N 3.14Å; D253-K256 HydrophobicContact CB-CD 4.48Å; D253-K256 PolarHBondContact O-N 2.79Å; D253-K256 VanDerWaalsContact OD2-CE 3.25Å; D253-K256 WeakPolarHBondContact OD2-CE 3.38Å; D253-K256 IonicContact OD2-NZ 2.58Å; D253-L257 PolarHBondContact O-N 3Å; D253-S293 PolarHBondContact N-O 3.21Å
254	V	72	Confident	72.2	Confident	68 Å²	68	58.4 Å²	58.4	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-25	-177	-64.8	0	0	0	0	113.4	K173 P252 K256 L257 S258	K173-V254 HydrophobicContact CB-CG1 4.45Å; P252-V254 PolarHBondContact O-N 3.42Å; P252-V254 VanDerWaalsContact O-N 3.15Å; V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.38Å; V254-L257 PolarHBondContact O-N 3.04Å; V254-L257 VanDerWaalsContact O-N 3.17Å; V254-S258 PolarHBondContact O-N 3.34Å
255	S	68.1	Low	69.9	Low	80 Å²	80	65.4 Å²	65.4	56%	0.559	39%	0.393	S	S	*	.	H	α-helix	trans	-63.1	-39.2	178.6	-172.5	0	0	0	0	111	D253 L257 S258 T259	D253-S255 PolarHBondContact O-N 2.84Å; D253-S255 WeakPolarHBondContact OD1-CB 3.31Å; D253-S255 PolarHBondContact OD1-N 3.08Å; D253-S255 VanDerWaalsContact OD1-N 3.14Å; S255-L257 VanDerWaalsContact C-N 3.35Å; S255-S258 PolarHBondContact O-OG 3.33Å; S255-T259 PolarHBondContact O-OG1 3.24Å
256	K	64.8	Low	67.4	Low	104 Å²	104	72 Å²	72	45%	0.452	43%	0.434	S	S	.	.	H	α-helix	trans	-80.2	-16.9	178	-61	178.5	-170.7	169.9	0	113.1	D253 V254 S293	D253-K256 HydrophobicContact CB-CD 4.48Å; D253-K256 PolarHBondContact O-N 2.79Å; D253-K256 VanDerWaalsContact OD2-CE 3.25Å; D253-K256 WeakPolarHBondContact OD2-CE 3.38Å; D253-K256 IonicContact OD2-NZ 2.58Å; V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.38Å; K256-S293 WeakPolarHBondContact CD-OG 3.34Å; K256-S293 PolarHBondContact NZ-OG 3.45Å
257	L	60.9	Low	64.9	Low	65 Å²	65	77.7 Å²	77.7	34%	0.34	47%	0.465	S	S	.	.	H	α-helix	trans	-89.4	-14.6	178.9	-149.5	96.1	0	0	0	113.5	K173 D253 V254 S255 L292	K173-L257 HydrophobicContact CD-CD2 3.57Å; D253-L257 PolarHBondContact O-N 3Å; V254-L257 PolarHBondContact O-N 3.04Å; V254-L257 VanDerWaalsContact O-N 3.17Å; S255-L257 VanDerWaalsContact C-N 3.35Å; L257-L292 HydrophobicContact CD1-CD2 3.85Å
258	S	53.8	Low	62.5	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	50%	0.497	S	S	*	.	S	Bend	trans	-95.6	-12.6	-176.9	69	0	0	0	0	113.8	V254 S255 P260	V254-S258 PolarHBondContact O-N 3.34Å; S255-S258 PolarHBondContact O-OG 3.33Å; S258-P260 WeakPolarHBondContact O-CD 3.33Å
259	T	55.8	Low	60.1	Low	66 Å²	66	94.2 Å²	94.2	41%	0.405	54%	0.542	S	S	.	.	S	Bend	trans	-69.6	122.2	179.7	-30.2	0	0	0	0	110.7	S255 G261	S255-T259 PolarHBondContact O-OG1 3.24Å; T259-G261 PolarHBondContact O-N 3.47Å
260	P	42.1	Very low	57.7	Low	133 Å²	133	99.7 Å²	99.7	86%	0.864	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	127.1	179.9	-18.9	30.5	0	0	0	111.3	S258	S258-P260 WeakPolarHBondContact O-CD 3.33Å
261	G	51.7	Low	55.7	Low	84 Å²	84	103 Å²	103	87%	0.866	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.1	-9.6	-175.8	0	0	0	0	0	114.4	T259 R263	T259-G261 PolarHBondContact O-N 3.47Å; G261-R263 PolarHBondContact O-N 2.98Å
262	A	47.9	Very low	53.4	Low	64 Å²	64	105.4 Å²	105.4	53%	0.529	63%	0.628	S	S	.	*			trans	-90.7	95.1	178.5	0	0	0	0	0	112.1
263	R	47.3	Very low	51.8	Low	217 Å²	217	110.7 Å²	110.7	82%	0.819	66%	0.66	S	S	*	*			trans	-132.2	115.8	153.4	-73.1	-173.4	175.7	-180	-3.2	107.5	G261 E265	G261-R263 PolarHBondContact O-N 2.98Å; R263-E265 VanDerWaalsContact C-N 3.3Å; R263-E265 HydrophobicContact CB-CG 4.42Å; R263-E265 PolarHBondContact O-N 2.92Å; R263-E265 VanDerWaalsContact O-N 3.1Å
264	A	47.8	Very low	50.1	Low	87 Å²	87	115.3 Å²	115.3	72%	0.719	68%	0.684	S	S	*	*			trans	-71.2	97.8	156.8	0	0	0	0	0	105.8	T266	A264-T266 PolarHBondContact O-N 3.35Å
265	E	45.7	Very low	48.8	Very low	146 Å²	146	115.6 Å²	115.6	68%	0.682	70%	0.701	S	S	*	*			trans	-73.2	116.7	167.8	-74.1	-175.7	164.5	0	0	107.8	R263 N267	R263-E265 VanDerWaalsContact C-N 3.3Å; R263-E265 HydrophobicContact CB-CG 4.42Å; R263-E265 PolarHBondContact O-N 2.92Å; R263-E265 VanDerWaalsContact O-N 3.1Å; E265-N267 PolarHBondContact O-N 3.42Å
266	T	41.9	Very low	47.7	Very low	144 Å²	144	122.2 Å²	122.2	88%	0.883	72%	0.716	S	S	*	*			trans	-66.2	93.6	152	31.1	0	0	0	0	106.1	A264 S268	A264-T266 PolarHBondContact O-N 3.35Å; T266-S268 PolarHBondContact O-N 2.9Å; T266-S268 VanDerWaalsContact O-N 3.1Å
267	N	40.6	Very low	46.7	Very low	121 Å²	121	125.7 Å²	125.7	65%	0.647	73%	0.733	S	S	*	*			trans	-56.1	121.5	-175.1	-149.8	4.7	0	0	0	109.1	E265 R269	E265-N267 PolarHBondContact O-N 3.42Å; N267-R269 PolarHBondContact O-N 3.39Å
268	S	45.8	Very low	46	Very low	98 Å²	98	129.3 Å²	129.3	69%	0.685	76%	0.758	S	S	*	*			trans	-57.1	130.5	172.9	49	0	0	0	0	108.9	T266 V270	T266-S268 PolarHBondContact O-N 2.9Å; T266-S268 VanDerWaalsContact O-N 3.1Å; S268-V270 PolarHBondContact O-N 3.44Å
269	R	43.6	Very low	45.3	Very low	250 Å²	250	133.8 Å²	133.8	94%	0.943	77%	0.77	S	S	*	*			trans	-31.5	109.2	-179.8	-70.3	175.8	175.1	166.5	-2.1	112.6	N267 S271	N267-R269 PolarHBondContact O-N 3.39Å; R269-S271 PolarHBondContact O-N 3.32Å
270	V	43.6	Very low	44.6	Very low	122 Å²	122	133.8 Å²	133.8	74%	0.739	78%	0.783	S	S	*	*			trans	-73.2	109.3	163.4	-179.8	0	0	0	0	106.5	S268 G272	S268-V270 PolarHBondContact O-N 3.44Å; V270-G272 PolarHBondContact O-N 3.44Å
271	S	48.9	Very low	45	Very low	130 Å²	130	134.7 Å²	134.7	91%	0.909	78%	0.779	S	S	*	*			trans	-75.7	103.9	168.7	-161	0	0	0	0	107.4	R269	R269-S271 PolarHBondContact O-N 3.32Å
272	G	38.7	Very low	44.7	Very low	62 Å²	62	142.4 Å²	142.4	64%	0.639	78%	0.782	S	S	*	*			trans	-161.9	113.8	179.1	0	0	0	0	0	110	V270 D274	V270-G272 PolarHBondContact O-N 3.44Å; G272-D274 PolarHBondContact O-N 3.39Å
273	V	49	Very low	44.5	Very low	144 Å²	144	142 Å²	142	87%	0.873	78%	0.784	S	S	*	*			trans	-75.6	99.5	172.6	177.2	0	0	0	0	106.8
274	D	41.3	Very low	44.7	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	77%	0.769	S	S	*	*			trans	-165.6	127.9	147.5	-94	-27.8	0	0	0	110	G272	G272-D274 PolarHBondContact O-N 3.39Å
275	G	44.6	Very low	44.6	Very low	75 Å²	75	143 Å²	143	77%	0.773	78%	0.776	S	S	*	*			trans	-69.4	140.8	-167.5	0	0	0	0	0	114
276	Y	46.3	Very low	44.6	Very low	219 Å²	219	140.6 Å²	140.6	86%	0.859	78%	0.781	S	S	*	*			trans	-123.4	88.2	157.7	-94.1	-96.2	0	0	0	107.8
277	E	44.3	Very low	44.8	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	77%	0.773	S	S	*	*			trans	-82	136.9	158.7	-74.9	-171.7	158.7	0	0	108.6
278	T	46	Very low	45.1	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	77%	0.774	S	S	*	*			trans	71.5	65.5	163.7	60.7	0	0	0	0	118.3
279	E	39.2	Very low	45.3	Very low	177 Å²	177	136.5 Å²	136.5	83%	0.827	76%	0.763	S	S	*	*			trans	-143.5	120.6	146.4	-125.8	178.8	-176.7	0	0	111.1
280	G	40.5	Very low	45.7	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	76%	0.756	S	S	*	*			trans	-65.4	151.6	-176.8	0	0	0	0	0	113.2	R282	G280-R282 VanDerWaalsContact C-N 3.26Å; G280-R282 PolarHBondContact O-N 3Å
281	I	49.8	Very low	46.4	Very low	152 Å²	152	135.1 Å²	135.1	78%	0.779	76%	0.755	S	S	*	*	S	Bend	trans	-70.4	63.7	-169.3	-49.9	154.1	0	0	0	112.4	L284	I281-L284 HydrophobicContact CG2-CD1 3.56Å
282	R	47.1	Very low	47.3	Very low	247 Å²	247	133 Å²	133	93%	0.932	73%	0.733	S	S	*	*			trans	-110.5	4.5	172	-70.3	-167	176.7	-154.6	1	113.9	G280	G280-R282 VanDerWaalsContact C-N 3.26Å; G280-R282 PolarHBondContact O-N 3Å
283	G	42.8	Very low	49.2	Very low	55 Å²	55	132.1 Å²	132.1	57%	0.567	72%	0.717	S	S	*	*			trans	-96.9	8.6	-174.4	0	0	0	0	0	117.5	R285	G283-R285 PolarHBondContact O-N 3.28Å
284	L	50.6	Low	50.8	Low	95 Å²	95	131.7 Å²	131.7	50%	0.497	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-78.9	-13.5	-174.7	-84.5	147.3	0	0	0	115.2	I281 A286 V289	I281-L284 HydrophobicContact CG2-CD1 3.56Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 2.91Å; L284-V289 HydrophobicContact CD2-CG2 4.48Å
285	R	47.1	Very low	53	Low	229 Å²	229	129.5 Å²	129.5	86%	0.864	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-72.9	-19.5	177.8	-84.3	-175.3	175	-179.5	-1.2	114.2	G283	G283-R285 PolarHBondContact O-N 3.28Å
286	A	45.2	Very low	55.1	Low	97 Å²	97	129.4 Å²	129.4	80%	0.802	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-85.5	-13.1	179.9	0	0	0	0	0	113.7	L284 G288	L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 2.91Å; A286-G288 PolarHBondContact O-N 2.78Å
287	L	46.3	Very low	57.4	Low	135 Å²	135	119 Å²	119	71%	0.707	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	17.8	-176.1	-77.6	165.2	0	0	0	114.1	V289	L287-V289 HydrophobicContact CB-CG2 4.41Å; L287-V289 PolarHBondContact O-N 2.93Å; L287-V289 VanDerWaalsContact O-N 3.16Å
288	G	45.7	Very low	59.8	Low	66 Å²	66	110.6 Å²	110.6	68%	0.68	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	12.2	177	0	0	0	0	0	114.8	A286 R290	A286-G288 PolarHBondContact O-N 2.78Å; G288-R290 PolarHBondContact O-N 2.8Å
289	V	50.3	Low	62.1	Low	75 Å²	75	104.9 Å²	104.9	46%	0.455	55%	0.547	S	S	.	.			trans	-74.6	95.5	173.3	-172.9	0	0	0	0	108.1	L284 L287	L284-V289 HydrophobicContact CD2-CG2 4.48Å; L287-V289 HydrophobicContact CB-CG2 4.41Å; L287-V289 PolarHBondContact O-N 2.93Å; L287-V289 VanDerWaalsContact O-N 3.16Å
290	R	53.5	Low	64.7	Low	207 Å²	207	96.6 Å²	96.6	78%	0.781	51%	0.508	S	S	*	.			trans	-79.1	138.5	168.3	-72.7	-174.7	176	176.2	-0.8	109.4	G288 L292	G288-R290 PolarHBondContact O-N 2.8Å; R290-L292 PolarHBondContact O-N 2.84Å
291	D	57	Low	67	Low	137 Å²	137	94.3 Å²	94.3	73%	0.733	48%	0.482	S	S	*	.			trans	-61.5	114.9	177.5	-67.2	-31.3	0	0	0	110.5	S293	D291-S293 PolarHBondContact O-N 2.85Å
292	L	67.3	Low	69	Low	86 Å²	86	87.7 Å²	87.7	45%	0.45	45%	0.449	S	S	.	.			trans	-70.1	113.9	168	-71.7	170.8	0	0	0	107.9	L257 R290 Y294	L257-L292 HydrophobicContact CD1-CD2 3.85Å; R290-L292 PolarHBondContact O-N 2.84Å; L292-Y294 HydrophobicContact CB-CD2 4.41Å; L292-Y294 HydrophobicContact CB-CE2 3.7Å; L292-Y294 WeakPolarHBondContact O-CD2 3.49Å
293	S	79	Confident	71.1	Confident	42 Å²	42	77.1 Å²	77.1	29%	0.294	41%	0.411	S	S	.	.			trans	-85.1	124.2	174	60.2	0	0	0	0	110.2	D253 K256 D291	D253-S293 PolarHBondContact N-O 3.21Å; K256-S293 WeakPolarHBondContact CD-OG 3.34Å; K256-S293 PolarHBondContact NZ-OG 3.45Å; D291-S293 PolarHBondContact O-N 2.85Å
294	Y	83.4	Confident	73.2	Confident	135 Å²	135	76.4 Å²	76.4	53%	0.529	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.8	174.1	-67.7	-80.6	0	0	0	110.2	V250 P252 L292	V250-Y294 VanDerWaalsContact CG2-CB 3.47Å; V250-Y294 HydrophobicContact CG2-CD1 3.64Å; V250-Y294 HydrophobicContact CG2-CG 3.79Å; P252-Y294 HydrophobicContact CB-CD1 4.03Å; P252-Y294 HydrophobicContact CB-CE1 3.84Å; L292-Y294 HydrophobicContact CB-CD2 4.41Å; L292-Y294 HydrophobicContact CB-CE2 3.7Å; L292-Y294 WeakPolarHBondContact O-CD2 3.49Å
295	R	86.9	Confident	74.8	Confident	107 Å²	107	73.8 Å²	73.8	40%	0.404	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.1	172.3	68.4	-166.7	-172.4	91.1	-3.9	110	E225 V251 V297	E225-R295 IonicContact OE2-CZ 3.98Å; E225-R295 IonicContact OE2-NH1 2.8Å; E225-R295 PolarHBondContact OE2-NH1 3.41Å; E225-R295 IonicContact OE2-NH2 2.99Å; V251-R295 HydrophobicContact CB-CG 4.17Å; V251-R295 PolarHBondContact N-O 3.3Å; V251-R295 PolarHBondContact O-N 2.9Å; R295-V297 HydrophobicContact CG-CG2 4.07Å
296	L	90	Very high	76.2	Confident	74 Å²	74	64 Å²	64	39%	0.387	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.9	174.3	-65.4	175.6	0	0	0	109.3	I131 L248	I131-L296 HydrophobicContact CD1-CD2 3.96Å; I131-L296 HydrophobicContact CG1-CD2 4.27Å; L248-L296 HydrophobicContact CD1-CB 4.33Å; L248-L296 HydrophobicContact CD2-CD2 4.37Å; L248-L296 HydrophobicContact CG-CD2 4.46Å
297	V	92.9	Very high	77.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.3	177.3	-173.5	0	0	0	0	107.9	E225 I227 I249 V251 R295	E225-V297 HydrophobicContact CB-CG1 4.25Å; E225-V297 WeakPolarHBondContact O-CG1 3.33Å; I227-V297 HydrophobicContact CD1-CG1 3.47Å; I227-V297 VanDerWaalsContact CD1-CG1 3.47Å; I227-V297 HydrophobicContact CG1-CG1 3.75Å; I249-V297 HydrophobicContact CG1-CB 4.22Å; I249-V297 WeakPolarHBondContact CG1-O 3.44Å; I249-V297 PolarHBondContact N-O 3.18Å; I249-V297 PolarHBondContact O-N 3.39Å; V251-V297 HydrophobicContact CB-CG2 4.01Å; V251-V297 HydrophobicContact CG2-CB 3.94Å; V251-V297 HydrophobicContact CG2-CG2 3.62Å; R295-V297 HydrophobicContact CG-CG2 4.07Å
298	F	95	Very high	78	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.2	176.1	-162.9	-100.1	0	0	0	109.7	T135 I137 L224 E225 V226 I227 F244 L248 A300	T135-F298 VanDerWaalsContact OG1-CE2 3.29Å; T135-F298 WeakPolarHBondContact OG1-CE2 3.32Å; I137-F298 HydrophobicContact CB-CZ 4.49Å; I137-F298 HydrophobicContact CD1-CB 4.28Å; I137-F298 HydrophobicContact CD1-CD1 3.55Å; I137-F298 HydrophobicContact CD1-CD2 3.77Å; I137-F298 HydrophobicContact CD1-CE1 3.69Å; I137-F298 HydrophobicContact CD1-CE2 3.88Å; I137-F298 HydrophobicContact CD1-CG 3.59Å; I137-F298 HydrophobicContact CD1-CZ 3.85Å; I137-F298 HydrophobicContact CG1-CD1 4.14Å; I137-F298 HydrophobicContact CG1-CE1 3.75Å; I137-F298 HydrophobicContact CG1-CE2 4.19Å; I137-F298 HydrophobicContact CG1-CZ 3.77Å; I137-F298 HydrophobicContact CG2-CE2 3.9Å; I137-F298 HydrophobicContact CG2-CZ 4.05Å; L224-F298 HydrophobicContact CD2-CB 3.79Å; L224-F298 HydrophobicContact CD2-CG 4.36Å; L224-F298 HydrophobicContact CG-CB 4.37Å; E225-F298 PolarHBondContact O-N 3.07Å; V226-F298 CarbonylContact C-O 3.48Å; V226-F298 VanDerWaalsContact CA-O 3.25Å; V226-F298 WeakPolarHBondContact CA-O 3.36Å; V226-F298 HydrophobicContact CG1-CD1 4.15Å; V226-F298 HydrophobicContact CG2-CB 4.01Å; V226-F298 HydrophobicContact CG2-CD1 4.21Å; V226-F298 HydrophobicContact CG2-CG 4.5Å; I227-F298 PolarHBondContact N-O 3.39Å; F244-F298 HydrophobicContact CB-CD1 4.39Å; F244-F298 HydrophobicContact CB-CE1 3.95Å; L248-F298 HydrophobicContact CB-CD2 4.48Å; L248-F298 HydrophobicContact CD1-CD2 4.23Å; F298-A300 HydrophobicContact CD1-CB 4.2Å; F298-A300 HydrophobicContact CE1-CB 4.23Å
299	L	94.1	Very high	78.6	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.105	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105.1	174.7	180	64.5	0	0	0	108.5	I227 R229 G246 T247 I249	I227-L299 HydrophobicContact CB-CD1 3.92Å; I227-L299 HydrophobicContact CG2-CD1 3.64Å; R229-L299 HydrophobicContact CG-CD1 4.31Å; G246-L299 CarbonylContact C-O 3.55Å; G246-L299 VanDerWaalsContact CA-O 3.26Å; G246-L299 WeakPolarHBondContact CA-O 3.19Å; T247-L299 HydrophobicContact CG2-CB 4.22Å; T247-L299 HydrophobicContact CG2-CD2 4.41Å; T247-L299 PolarHBondContact N-O 3.36Å; T247-L299 PolarHBondContact O-N 3.38Å; I249-L299 HydrophobicContact CD1-CB 3.98Å; I249-L299 HydrophobicContact CD1-CD2 4.46Å; I249-L299 HydrophobicContact CG1-CB 4.12Å; I249-L299 HydrophobicContact CG2-CB 4.23Å
300	A	93.9	Very high	78.5	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.6	-179.7	0	0	0	0	0	111.1	V226 I227 L228 F244 F298	V226-A300 HydrophobicContact CG1-CB 3.58Å; I227-A300 PolarHBondContact O-N 3.16Å; L228-A300 HydrophobicContact CD2-CB 3.85Å; F244-A300 HydrophobicContact CB-CB 4.13Å; F244-A300 HydrophobicContact CD1-CB 4.15Å; F298-A300 HydrophobicContact CD1-CB 4.2Å; F298-A300 HydrophobicContact CE1-CB 4.23Å
301	C	89.8	Confident	78	Confident	19 Å²	19	58.5 Å²	58.5	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-25.6	175.1	66.3	0	0	0	0	112.3	A113 T245	A113-C301 WeakPolarHBondContact CB-O 3.45Å; T245-C301 PolarHBondContact O-N 3.38Å; T245-C301 PolarHBondContact O-SG 3.04Å
302	C	91.4	Very high	77.4	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.088	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.6	176.5	-176.5	0	0	0	0	108.9	A113 F114 T245	A113-C302 HydrophobicContact CB-CB 4.13Å; F114-C302 WeakPolarHBondContact O-CB 3.42Å; T245-C302 PolarHBondContact N-O 3.26Å; T245-C302 PolarHBondContact O-N 3.33Å
303	V	91.2	Very high	76.3	Confident	24 Å²	24	59.1 Å²	59.1	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.1	170.5	57.6	0	0	0	0	108.1	L228 A232 A236 C242 D243 F244	L228-V303 HydrophobicContact CD2-CB 4.47Å; A232-V303 HydrophobicContact CB-CG1 4.31Å; A236-V303 HydrophobicContact CB-CG2 4.28Å; C242-V303 HydrophobicContact CB-CG2 3.78Å; D243-V303 WeakPolarHBondContact O-CA 3.34Å; F244-V303 HydrophobicContact CD1-CB 4.06Å; F244-V303 HydrophobicContact CD1-CG2 3.82Å; F244-V303 HydrophobicContact CE1-CB 4.17Å; F244-V303 HydrophobicContact CE1-CG2 3.57Å; F244-V303 HydrophobicContact CZ-CG2 4.22Å
304	A	87.6	Confident	74.9	Confident	40 Å²	40	63 Å²	63	33%	0.331	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151	175.6	0	0	0	0	0	108.3	C242 D243	C242-A304 CarbonylContact C-O 3.56Å; C242-A304 WeakPolarHBondContact CA-O 3.43Å; D243-A304 PolarHBondContact N-O 2.99Å; D243-A304 PolarHBondContact O-N 3.31Å
305	P	83.7	Confident	73.1	Confident	41 Å²	41	59.2 Å²	59.2	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.6	169.2	29.6	-35.3	0	0	0	110.2	N307 P308 E314	P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 3.28Å; P305-P308 HydrophobicContact CG-CB 4.45Å; P305-E314 WeakPolarHBondContact CG-OE2 3.32Å
306	T	76.3	Confident	71	Confident	22 Å²	22	61.8 Å²	61.8	14%	0.135	34%	0.342	C	S	.	.	S	Bend	trans	-60.6	-36.6	-177.3	-58.9	0	0	0	0	113	S138 K241 D243	S138-T306 PolarHBondContact OG-OG1 3.39Å; K241-T306 PolarHBondContact O-N 3.34Å; K241-T306 PolarHBondContact O-OG1 3.49Å; D243-T306 WeakPolarHBondContact OD1-CB 3Å; D243-T306 WeakPolarHBondContact OD1-CG2 3.42Å; D243-T306 PolarHBondContact OD1-OG1 3.26Å
307	N	68.2	Low	68.8	Low	127 Å²	127	65.9 Å²	65.9	68%	0.679	36%	0.364	S	S	*	.	S	Bend	trans	-126.2	92.3	176.9	-66.5	-16	0	0	0	108.1	P305 R309	P305-N307 VanDerWaalsContact C-N 3.27Å; P305-N307 PolarHBondContact O-N 3.28Å; N307-R309 PolarHBondContact O-N 2.91Å; N307-R309 VanDerWaalsContact O-N 3.1Å
308	P	61.2	Low	66.5	Low	73 Å²	73	72.7 Å²	72.7	47%	0.474	40%	0.396	S	S	.	.			trans	-64.6	114.2	172.1	26.7	-32.1	0	0	0	107.9	P305 F310	P305-P308 HydrophobicContact CG-CB 4.45Å; P308-F310 PolarHBondContact O-N 3.32Å
309	R	57.6	Low	64.4	Low	158 Å²	158	81.8 Å²	81.8	60%	0.596	44%	0.438	S	S	*	.			trans	-73.6	-10.6	-171	-68.5	172.8	171.9	152.9	-8.9	113.2	N307 P414	N307-R309 PolarHBondContact O-N 2.91Å; N307-R309 VanDerWaalsContact O-N 3.1Å; R309-P414 VanDerWaalsContact CZ-CA 3.43Å; R309-P414 VanDerWaalsContact CZ-O 3.29Å; R309-P414 PolarHBondContact NH1-O 3.45Å; R309-P414 PolarHBondContact NH2-O 3.07Å
310	F	49.3	Very low	62.9	Low	33 Å²	33	84 Å²	84	15%	0.145	45%	0.448	C	S	.	.	S	Bend	trans	-146.6	130	-177.8	-93.1	-92.8	0	0	0	111.3	P308 G312 R574 L577	P308-F310 PolarHBondContact O-N 3.32Å; F310-G312 PolarHBondContact O-N 3.08Å; F310-R574 HydrophobicContact CE1-CG 4.14Å; F310-R574 HydrophobicContact CE2-CG 4.47Å; F310-R574 HydrophobicContact CZ-CB 4.12Å; F310-R574 HydrophobicContact CZ-CG 3.79Å; F310-L577 HydrophobicContact CD2-CD2 3.81Å; F310-L577 HydrophobicContact CE1-CD2 4.22Å; F310-L577 HydrophobicContact CE2-CB 4.28Å; F310-L577 HydrophobicContact CE2-CD2 3.17Å; F310-L577 HydrophobicContact CE2-CG 4.33Å; F310-L577 HydrophobicContact CZ-CB 4.19Å; F310-L577 HydrophobicContact CZ-CD2 3.4Å; F310-L577 HydrophobicContact CZ-CG 4.37Å
311	G	42.8	Very low	61.9	Low	74 Å²	74	87.9 Å²	87.9	76%	0.763	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	9.8	149.8	0	0	0	0	0	120.4	K313	G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 3.38Å
312	G	43.4	Very low	61.2	Low	69 Å²	69	88.2 Å²	88.2	71%	0.711	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	12.3	177.2	0	0	0	0	0	115.9	F310	F310-G312 PolarHBondContact O-N 3.08Å
313	K	45.3	Very low	60.5	Low	167 Å²	167	92.7 Å²	92.7	73%	0.726	50%	0.496	S	S	*	.	S	Bend	trans	-148.9	135.7	171.9	-149.6	161.6	-173.9	168.8	0	111.7	G311	G311-K313 VanDerWaalsContact C-N 3.33Å; G311-K313 PolarHBondContact O-N 3.38Å
314	E	48.5	Very low	60	Low	125 Å²	125	93.2 Å²	93.2	58%	0.584	50%	0.5	S	S	*	.			trans	-59.9	137.7	-174	-156.1	62.5	-161	0	0	112.7	P305 R316	P305-E314 WeakPolarHBondContact CG-OE2 3.32Å; E314-R316 PolarHBondContact O-N 3.5Å
315	L	46.1	Very low	59.5	Low	55 Å²	55	91.4 Å²	91.4	29%	0.288	49%	0.485	S	S	.	.			trans	-69.5	108.7	170.4	-73.5	163.5	0	0	0	108.6	L577	L315-L577 HydrophobicContact CD1-CD2 4.46Å
316	R	43.6	Very low	59.2	Low	161 Å²	161	93 Å²	93	61%	0.608	49%	0.488	S	S	*	.			trans	-67.3	142.4	167.7	-74.4	-177.9	173.6	-169.7	-6	109.7	E314 E318 Q320	E314-R316 PolarHBondContact O-N 3.5Å; R316-E318 PolarHBondContact O-N 3.15Å; R316-Q320 PolarHBondContact O-NE2 3.03Å
317	D	43.2	Very low	59.5	Low	160 Å²	160	98.3 Å²	98.3	86%	0.856	52%	0.515	S	S	*	.	S	Bend	trans	-68	22.8	178.7	-77.4	-33.3	0	0	0	114.5
318	E	44.8	Very low	59.7	Low	143 Å²	143	97.1 Å²	97.1	67%	0.668	51%	0.506	S	S	*	.	S	Bend	trans	-74.8	152.8	170.1	-68.4	178.6	-166.4	0	0	109.8	R316 Q320	R316-E318 PolarHBondContact O-N 3.15Å; E318-Q320 WeakPolarHBondContact O-CG 3.4Å; E318-Q320 PolarHBondContact O-N 2.91Å
319	E	50.9	Low	60.4	Low	191 Å²	191	94.5 Å²	94.5	89%	0.893	49%	0.487	S	S	*	.			trans	-55.6	96.3	-177.1	-69.8	-173.1	153.2	0	0	111.7	T321	E319-T321 PolarHBondContact O-N 3.44Å
320	Q	62.2	Low	61.6	Low	68 Å²	68	90.6 Å²	90.6	32%	0.318	48%	0.481	S	S	.	.			trans	-71.5	117.6	-174.4	-56.9	177.2	-2.2	0	0	108.9	R316 E318 Q581	R316-Q320 PolarHBondContact O-NE2 3.03Å; E318-Q320 WeakPolarHBondContact O-CG 3.4Å; E318-Q320 PolarHBondContact O-N 2.91Å; Q320-Q581 PolarHBondContact O-NE2 3.41Å
321	T	73.9	Confident	63.4	Low	82 Å²	82	94 Å²	94	50%	0.503	50%	0.504	S	S	.	.			trans	-92.7	160.9	174.3	57.8	0	0	0	0	110.3	E319 E323 S324 I325 Q581	E319-T321 PolarHBondContact O-N 3.44Å; T321-E323 PolarHBondContact O-N 3.1Å; T321-S324 PolarHBondContact N-OG 2.61Å; T321-S324 PolarHBondContact O-N 3.24Å; T321-S324 VanDerWaalsContact O-N 3.15Å; T321-S324 PolarHBondContact O-OG 2.7Å; T321-S324 PolarHBondContact OG1-N 3Å; T321-I325 PolarHBondContact O-N 3.02Å; T321-Q581 VanDerWaalsContact C-NE2 3.27Å; T321-Q581 PolarHBondContact O-NE2 3.28Å; T321-Q581 PolarHBondContact O-OE1 2.98Å
322	A	74.2	Confident	65.5	Low	26 Å²	26	98.6 Å²	98.6	22%	0.215	50%	0.503	C	S	.	.	H	α-helix	trans	-54	-37.4	174.2	0	0	0	0	0	112.3	K326 F578 Q581	A322-K326 VanDerWaalsContact O-CB 3.26Å; A322-K326 WeakPolarHBondContact O-CB 3.07Å; A322-K326 PolarHBondContact O-N 3.41Å; A322-F578 HydrophobicContact CB-CE2 4.24Å; A322-Q581 VanDerWaalsContact CA-OE1 3.22Å
323	E	77.4	Confident	67.6	Low	108 Å²	108	97.3 Å²	97.3	51%	0.505	48%	0.479	S	S	.	.	H	α-helix	trans	-71	-36.2	179.2	-61.8	-58.2	151.4	0	0	112.6	T321 K326 N327	T321-E323 PolarHBondContact O-N 3.1Å; E323-K326 PolarHBondContact O-N 3.2Å; E323-K326 IonicContact OE2-NZ 3.85Å; E323-N327 WeakPolarHBondContact O-CB 3.26Å; E323-N327 PolarHBondContact O-N 3.42Å; E323-N327 PolarHBondContact O-ND2 3.46Å
324	S	79.5	Confident	69.6	Low	35 Å²	35	92.5 Å²	92.5	25%	0.245	46%	0.456	C	S	.	.	H	α-helix	trans	-66.5	-40.5	177.3	63.2	0	0	0	0	111.7	T321 Q328	T321-S324 PolarHBondContact N-OG 2.61Å; T321-S324 PolarHBondContact O-N 3.24Å; T321-S324 VanDerWaalsContact O-N 3.15Å; T321-S324 PolarHBondContact O-OG 2.7Å; T321-S324 PolarHBondContact OG1-N 3Å; S324-Q328 VanDerWaalsContact O-CD 3.25Å; S324-Q328 WeakPolarHBondContact O-CG 2.97Å; S324-Q328 PolarHBondContact O-N 2.76Å; S324-Q328 PolarHBondContact O-NE2 3.38Å
325	I	77.1	Confident	71.6	Confident	2 Å²	2	92.2 Å²	92.2	1%	0.01	46%	0.455	C	S	.	.	H	α-helix	trans	-67.4	-46.3	175.2	-68.4	-163.8	0	0	0	110.1	T321 N327 Q328 M329 L577 Q581	T321-I325 PolarHBondContact O-N 3.02Å; I325-N327 VanDerWaalsContact C-N 3.29Å; I325-N327 PolarHBondContact O-N 2.73Å; I325-Q328 WeakPolarHBondContact O-CB 3.4Å; I325-Q328 PolarHBondContact O-N 3.19Å; I325-M329 HydrophobicContact CG2-CG 4.34Å; I325-M329 HydrophobicContact CG2-SD 4.21Å; I325-M329 WeakPolarHBondContact O-CG 3.25Å; I325-M329 PolarHBondContact O-N 3.5Å; I325-M329 VanDerWaalsContact O-N 3.16Å; I325-L577 HydrophobicContact CD1-CD2 3.9Å; I325-L577 HydrophobicContact CD1-CG 3.83Å; I325-Q581 HydrophobicContact CD1-CG 4.19Å; I325-Q581 VanDerWaalsContact CD1-OE1 3.26Å; I325-Q581 VanDerWaalsContact CG1-NE2 3.29Å
326	K	78.9	Confident	73.7	Confident	75 Å²	75	92.4 Å²	92.4	33%	0.326	45%	0.453	S	S	.	.	H	α-helix	trans	-56.4	-41.4	178.4	-179.2	-179.6	170.3	-164.1	0	112.9	A322 E323 Q328 M329 W334	A322-K326 VanDerWaalsContact O-CB 3.26Å; A322-K326 WeakPolarHBondContact O-CB 3.07Å; A322-K326 PolarHBondContact O-N 3.41Å; E323-K326 PolarHBondContact O-N 3.2Å; E323-K326 IonicContact OE2-NZ 3.85Å; K326-Q328 PolarHBondContact O-N 3.06Å; K326-M329 PolarHBondContact O-N 3.11Å; K326-W334 HydrophobicContact CB-CZ3 4.36Å; K326-W334 HydrophobicContact CD-CE3 4.49Å; K326-W334 HydrophobicContact CD-CH2 3.88Å; K326-W334 HydrophobicContact CD-CZ2 3.93Å; K326-W334 HydrophobicContact CD-CZ3 4.17Å; K326-W334 HydrophobicContact CG-CD2 4.1Å; K326-W334 HydrophobicContact CG-CE3 3.92Å; K326-W334 HydrophobicContact CG-CH2 4.18Å; K326-W334 HydrophobicContact CG-CZ2 4.35Å; K326-W334 HydrophobicContact CG-CZ3 3.96Å
327	N	80.8	Confident	75.8	Confident	132 Å²	132	84.9 Å²	84.9	71%	0.706	43%	0.425	S	S	*	.	H	α-helix	trans	-67.1	-23.3	177.6	-71.6	-19.1	0	0	0	113.5	E323 I325	E323-N327 WeakPolarHBondContact O-CB 3.26Å; E323-N327 PolarHBondContact O-N 3.42Å; E323-N327 PolarHBondContact O-ND2 3.46Å; I325-N327 VanDerWaalsContact C-N 3.29Å; I325-N327 PolarHBondContact O-N 2.73Å
328	Q	74.1	Confident	78.1	Confident	103 Å²	103	82.4 Å²	82.4	48%	0.481	41%	0.407	S	S	.	.	H	α-helix	trans	-86.4	-18.9	177.6	-66.1	163.4	16.8	0	0	112.4	S324 I325 K326	S324-Q328 VanDerWaalsContact O-CD 3.25Å; S324-Q328 WeakPolarHBondContact O-CG 2.97Å; S324-Q328 PolarHBondContact O-N 2.76Å; S324-Q328 PolarHBondContact O-NE2 3.38Å; I325-Q328 WeakPolarHBondContact O-CB 3.4Å; I325-Q328 PolarHBondContact O-N 3.19Å; K326-Q328 PolarHBondContact O-N 3.06Å
329	M	75.4	Confident	80.4	Confident	17 Å²	17	80.7 Å²	80.7	8%	0.084	40%	0.399	C	S	.	.	S	Bend	trans	-77.1	141.4	179.9	-65.3	-172.5	75.7	0	0	111.1	I325 K326 E333 W334 V337 R574	I325-M329 HydrophobicContact CG2-CG 4.34Å; I325-M329 HydrophobicContact CG2-SD 4.21Å; I325-M329 WeakPolarHBondContact O-CG 3.25Å; I325-M329 PolarHBondContact O-N 3.5Å; I325-M329 VanDerWaalsContact O-N 3.16Å; K326-M329 PolarHBondContact O-N 3.11Å; M329-E333 HydrophobicContact CB-CB 4.44Å; M329-E333 HydrophobicContact CE-CB 3.62Å; M329-W334 HydrophobicContact SD-CE3 4.34Å; M329-V337 HydrophobicContact CE-CB 4.44Å; M329-V337 HydrophobicContact CE-CG2 3.63Å; M329-R574 HydrophobicContact CE-CB 4.37Å
330	T	83.1	Confident	82.3	Confident	76 Å²	76	71.6 Å²	71.6	47%	0.466	36%	0.357	S	S	.	.			trans	-68.6	156.8	169.7	64.3	0	0	0	0	110.5	K332 E333 W334	T330-K332 VanDerWaalsContact C-N 3.25Å; T330-K332 PolarHBondContact O-N 2.61Å; T330-E333 WeakPolarHBondContact CB-OE2 3.27Å; T330-E333 PolarHBondContact N-OE2 3.32Å; T330-E333 PolarHBondContact O-N 2.81Å; T330-E333 VanDerWaalsContact O-N 3.1Å; T330-E333 WeakPolarHBondContact OG1-CG 3.36Å; T330-E333 PolarHBondContact OG1-N 3.47Å; T330-E333 PolarHBondContact OG1-OE2 2.88Å; T330-W334 PolarHBondContact O-N 3.49Å
331	V	87	Confident	83.6	Confident	104 Å²	104	69.6 Å²	69.6	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-54.2	-42.9	-179.3	-180	0	0	0	0	111.7	W334 E335	V331-W334 PolarHBondContact O-N 2.85Å; V331-E335 HydrophobicContact CG1-CG 4.44Å; V331-E335 WeakPolarHBondContact O-CB 3.41Å; V331-E335 VanDerWaalsContact O-CG 3.3Å; V331-E335 WeakPolarHBondContact O-CG 3.25Å; V331-E335 PolarHBondContact O-N 3.31Å
332	K	87.2	Confident	84.4	Confident	172 Å²	172	71.7 Å²	71.7	75%	0.748	35%	0.354	S	S	*	.	H	α-helix	trans	-65.5	-41.4	179.2	-66.2	-177.5	179.6	178.2	0	112.7	T330 W334 K336	T330-K332 VanDerWaalsContact C-N 3.25Å; T330-K332 PolarHBondContact O-N 2.61Å; K332-W334 VanDerWaalsContact C-N 3.35Å; K332-K336 PolarHBondContact O-N 2.86Å; K332-K336 VanDerWaalsContact O-N 3.08Å
333	E	85.9	Confident	85.2	Confident	41 Å²	41	72.4 Å²	72.4	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-41.2	178.5	-68.4	164.9	150.3	0	0	110.7	M329 T330 K336 V337 R574	M329-E333 HydrophobicContact CB-CB 4.44Å; M329-E333 HydrophobicContact CE-CB 3.62Å; T330-E333 WeakPolarHBondContact CB-OE2 3.27Å; T330-E333 PolarHBondContact N-OE2 3.32Å; T330-E333 PolarHBondContact O-N 2.81Å; T330-E333 VanDerWaalsContact O-N 3.1Å; T330-E333 WeakPolarHBondContact OG1-CG 3.36Å; T330-E333 PolarHBondContact OG1-N 3.47Å; T330-E333 PolarHBondContact OG1-OE2 2.88Å; E333-K336 PolarHBondContact O-N 3.49Å; E333-V337 WeakPolarHBondContact O-CG2 3.25Å; E333-V337 PolarHBondContact O-N 3.42Å; E333-R574 IonicContact OE1-CZ 2.98Å; E333-R574 IonicContact OE1-NE 3.78Å; E333-R574 IonicContact OE1-NH2 2.98Å
334	W	87.8	Confident	85.8	Confident	67 Å²	67	76.5 Å²	76.5	25%	0.254	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-45.9	176.8	177.4	-108.8	0	0	0	112.3	K326 M329 T330 V331 K332 K336 V337 F338 F578	K326-W334 HydrophobicContact CB-CZ3 4.36Å; K326-W334 HydrophobicContact CD-CE3 4.49Å; K326-W334 HydrophobicContact CD-CH2 3.88Å; K326-W334 HydrophobicContact CD-CZ2 3.93Å; K326-W334 HydrophobicContact CD-CZ3 4.17Å; K326-W334 HydrophobicContact CG-CD2 4.1Å; K326-W334 HydrophobicContact CG-CE3 3.92Å; K326-W334 HydrophobicContact CG-CH2 4.18Å; K326-W334 HydrophobicContact CG-CZ2 4.35Å; K326-W334 HydrophobicContact CG-CZ3 3.96Å; M329-W334 HydrophobicContact SD-CE3 4.34Å; T330-W334 PolarHBondContact O-N 3.49Å; V331-W334 PolarHBondContact O-N 2.85Å; K332-W334 VanDerWaalsContact C-N 3.35Å; W334-K336 PolarHBondContact O-N 3.36Å; W334-V337 HydrophobicContact CE3-CG1 4.44Å; W334-V337 HydrophobicContact CZ3-CG1 4.28Å; W334-V337 PolarHBondContact O-N 3.45Å; W334-F338 HydrophobicContact CZ2-CD2 4.45Å; W334-F338 VanDerWaalsContact O-CB 3.3Å; W334-F338 WeakPolarHBondContact O-CB 3.41Å; W334-F338 PolarHBondContact O-N 2.99Å; W334-F578 HydrophobicContact CH2-CE1 4.22Å; W334-F578 HydrophobicContact CH2-CE2 4.05Å; W334-F578 AromaticContact CH2-CZ 3.6Å; W334-F578 HydrophobicContact CH2-CZ 3.6Å; W334-F578 HydrophobicContact CZ3-CD2 4.24Å; W334-F578 HydrophobicContact CZ3-CE1 4.06Å; W334-F578 AromaticContact CZ3-CE2 3.65Å; W334-F578 HydrophobicContact CZ3-CE2 3.65Å; W334-F578 AromaticContact CZ3-CZ 3.56Å; W334-F578 HydrophobicContact CZ3-CZ 3.56Å
335	E	90.3	Very high	86.3	Confident	119 Å²	119	79.9 Å²	79.9	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-55.5	-41.7	174.6	-77.1	173.1	179.2	0	0	111.1	V331 F338 E339	V331-E335 HydrophobicContact CG1-CG 4.44Å; V331-E335 WeakPolarHBondContact O-CB 3.41Å; V331-E335 VanDerWaalsContact O-CG 3.3Å; V331-E335 WeakPolarHBondContact O-CG 3.25Å; V331-E335 PolarHBondContact O-N 3.31Å; E335-F338 PolarHBondContact O-N 3.29Å; E335-E339 WeakPolarHBondContact O-CB 3.34Å; E335-E339 PolarHBondContact O-N 2.95Å
336	K	89.9	Confident	87.1	Confident	58 Å²	58	79.8 Å²	79.8	25%	0.252	39%	0.385	S	S	.	.	H	α-helix	trans	-69	-43	177.9	-168.1	67.3	-169	167.3	0	113	K332 E333 W334 F338 E339 M340	K332-K336 PolarHBondContact O-N 2.86Å; K332-K336 VanDerWaalsContact O-N 3.08Å; E333-K336 PolarHBondContact O-N 3.49Å; W334-K336 PolarHBondContact O-N 3.36Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 3.26Å; K336-E339 WeakPolarHBondContact CD-OE2 3.41Å; K336-E339 IonicContact NZ-OE1 3.01Å; K336-E339 IonicContact NZ-OE2 2.74Å; K336-E339 PolarHBondContact NZ-OE2 2.97Å; K336-E339 PolarHBondContact O-N 3.17Å; K336-M340 HydrophobicContact CG-CE 4.38Å; K336-M340 WeakPolarHBondContact O-CG 3.33Å; K336-M340 PolarHBondContact O-N 3.27Å
337	V	88.9	Confident	87.7	Confident	3 Å²	3	77.6 Å²	77.6	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-41	175.4	165.2	0	0	0	0	111.2	M329 E333 W334 M340 S341 Y575 F578	M329-V337 HydrophobicContact CE-CB 4.44Å; M329-V337 HydrophobicContact CE-CG2 3.63Å; E333-V337 WeakPolarHBondContact O-CG2 3.25Å; E333-V337 PolarHBondContact O-N 3.42Å; W334-V337 HydrophobicContact CE3-CG1 4.44Å; W334-V337 HydrophobicContact CZ3-CG1 4.28Å; W334-V337 PolarHBondContact O-N 3.45Å; V337-M340 HydrophobicContact CB-CE 4.46Å; V337-M340 HydrophobicContact CG2-CE 3.98Å; V337-M340 PolarHBondContact O-N 3.47Å; V337-S341 PolarHBondContact O-N 3.04Å; V337-Y575 HydrophobicContact CG1-CD2 4.01Å; V337-Y575 HydrophobicContact CG1-CE2 4.47Å; V337-F578 HydrophobicContact CG1-CD1 3.7Å; V337-F578 HydrophobicContact CG1-CE1 4.17Å; V337-F578 HydrophobicContact CG1-CG 4.22Å
338	F	90.5	Very high	88.2	Confident	109 Å²	109	75.7 Å²	75.7	48%	0.478	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-42.9	176.4	-173.3	-98.7	0	0	0	111.8	W334 E335 K336 M340 S341 Q342	W334-F338 HydrophobicContact CZ2-CD2 4.45Å; W334-F338 VanDerWaalsContact O-CB 3.3Å; W334-F338 WeakPolarHBondContact O-CB 3.41Å; W334-F338 PolarHBondContact O-N 2.99Å; E335-F338 PolarHBondContact O-N 3.29Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 3.26Å; F338-M340 PolarHBondContact O-N 3.04Å; F338-S341 PolarHBondContact O-N 3.5Å; F338-Q342 HydrophobicContact CD1-CG 4.42Å; F338-Q342 HydrophobicContact CE1-CG 4.04Å; F338-Q342 HydrophobicContact CZ-CG 4.14Å; F338-Q342 WeakPolarHBondContact O-CG 3.28Å; F338-Q342 PolarHBondContact O-N 2.89Å
339	E	92.6	Very high	89.1	Confident	107 Å²	107	72.5 Å²	72.5	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-47.2	173.7	-173.2	-168.3	176.6	0	0	111.4	E335 K336 S341 Q342 D343	E335-E339 WeakPolarHBondContact O-CB 3.34Å; E335-E339 PolarHBondContact O-N 2.95Å; K336-E339 WeakPolarHBondContact CD-OE2 3.41Å; K336-E339 IonicContact NZ-OE1 3.01Å; K336-E339 IonicContact NZ-OE2 2.74Å; K336-E339 PolarHBondContact NZ-OE2 2.97Å; K336-E339 PolarHBondContact O-N 3.17Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 2.98Å; E339-Q342 PolarHBondContact O-N 3.34Å; E339-D343 PolarHBondContact O-N 3.17Å
340	M	90.9	Very high	89.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-41.4	177.5	-72	-174.2	-64.8	0	0	112.1	K336 V337 F338 Q342 D343 L346 Y567 D571 Y575	K336-M340 HydrophobicContact CG-CE 4.38Å; K336-M340 WeakPolarHBondContact O-CG 3.33Å; K336-M340 PolarHBondContact O-N 3.27Å; V337-M340 HydrophobicContact CB-CE 4.46Å; V337-M340 HydrophobicContact CG2-CE 3.98Å; V337-M340 PolarHBondContact O-N 3.47Å; F338-M340 PolarHBondContact O-N 3.04Å; M340-Q342 VanDerWaalsContact C-N 3.27Å; M340-Q342 PolarHBondContact O-N 2.64Å; M340-D343 WeakPolarHBondContact O-CB 3.34Å; M340-D343 PolarHBondContact O-N 2.81Å; M340-L346 HydrophobicContact CB-CD1 4.19Å; M340-L346 WeakPolarHBondContact O-CD1 3.37Å; M340-Y567 HydrophobicContact CG-CD1 3.97Å; M340-Y567 HydrophobicContact CG-CE1 3.63Å; M340-Y567 HydrophobicContact SD-CD1 3.88Å; M340-Y567 HydrophobicContact SD-CE1 4.17Å; M340-Y567 HydrophobicContact SD-CG 4.11Å; M340-D571 HydrophobicContact CE-CB 4.2Å; M340-D571 HydrophobicContact SD-CB 4.35Å; M340-Y575 HydrophobicContact CB-CD2 3.89Å; M340-Y575 HydrophobicContact CB-CE2 3.94Å; M340-Y575 HydrophobicContact CE-CD2 3.83Å; M340-Y575 HydrophobicContact CE-CG 4.1Å
341	S	90.3	Very high	90.3	Very high	26 Å²	26	68.4 Å²	68.4	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-32.4	179	174.6	0	0	0	0	112.9	V337 F338 E339	V337-S341 PolarHBondContact O-N 3.04Å; F338-S341 PolarHBondContact O-N 3.5Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 2.98Å
342	Q	90.1	Very high	90.5	Very high	126 Å²	126	66.7 Å²	66.7	59%	0.589	31%	0.314	S	S	*	.	H	α-helix	trans	-84.3	-10.4	179.5	-63.7	-61.5	-34.4	0	0	113.6	F338 E339 M340 K344	F338-Q342 HydrophobicContact CD1-CG 4.42Å; F338-Q342 HydrophobicContact CE1-CG 4.04Å; F338-Q342 HydrophobicContact CZ-CG 4.14Å; F338-Q342 WeakPolarHBondContact O-CG 3.28Å; F338-Q342 PolarHBondContact O-N 2.89Å; E339-Q342 PolarHBondContact O-N 3.34Å; M340-Q342 VanDerWaalsContact C-N 3.27Å; M340-Q342 PolarHBondContact O-N 2.64Å; Q342-K344 PolarHBondContact O-N 2.83Å
343	D	92.6	Very high	90.6	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.214	28%	0.279	C	S	.	.			trans	-68.7	120	-180	-177.2	11.3	0	0	0	111.1	E339 M340 N345 L346 N349 Y567	E339-D343 PolarHBondContact O-N 3.17Å; M340-D343 WeakPolarHBondContact O-CB 3.34Å; M340-D343 PolarHBondContact O-N 2.81Å; D343-N345 PolarHBondContact O-N 2.95Å; D343-N345 PolarHBondContact OD1-N 2.75Å; D343-L346 HydrophobicContact CB-CB 4.23Å; D343-L346 VanDerWaalsContact O-CB 3.29Å; D343-L346 WeakPolarHBondContact O-CB 3.45Å; D343-L346 PolarHBondContact O-N 3.46Å; D343-N349 PolarHBondContact OD2-ND2 2.93Å; D343-Y567 PolarHBondContact OD2-OH 3.37Å
344	K	88.3	Confident	90.8	Very high	195 Å²	195	57.3 Å²	57.3	85%	0.848	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.1	178.4	-65	-179.1	-177.4	175.1	0	112.3	Q342	Q342-K344 PolarHBondContact O-N 2.83Å
345	N	91.5	Very high	90.9	Very high	105 Å²	105	54.3 Å²	54.3	56%	0.561	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	16.3	-178.2	-67.2	-10.7	0	0	0	112.4	D343 Y347 H348 N349	D343-N345 PolarHBondContact O-N 2.95Å; D343-N345 PolarHBondContact OD1-N 2.75Å; N345-Y347 VanDerWaalsContact C-N 3.25Å; N345-Y347 PolarHBondContact O-N 3.48Å; N345-Y347 VanDerWaalsContact O-N 3.16Å; N345-H348 PolarHBondContact O-N 3.42Å; N345-H348 VanDerWaalsContact O-N 3.09Å; N345-N349 PolarHBondContact O-N 3.38Å
346	L	92.1	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-48.9	-46.3	-177.9	179.8	65.9	0	0	0	112.3	M340 D343 H348 N349 L350 Y567 Y575 M634	M340-L346 HydrophobicContact CB-CD1 4.19Å; M340-L346 WeakPolarHBondContact O-CD1 3.37Å; D343-L346 HydrophobicContact CB-CB 4.23Å; D343-L346 VanDerWaalsContact O-CB 3.29Å; D343-L346 WeakPolarHBondContact O-CB 3.45Å; D343-L346 PolarHBondContact O-N 3.46Å; L346-H348 VanDerWaalsContact C-N 3.32Å; L346-H348 PolarHBondContact O-N 2.84Å; L346-N349 PolarHBondContact O-N 3.18Å; L346-L350 HydrophobicContact CD1-CD1 3.79Å; L346-L350 HydrophobicContact CD1-CD2 4.07Å; L346-L350 HydrophobicContact CD1-CG 3.67Å; L346-L350 HydrophobicContact CD2-CD1 4.31Å; L346-L350 HydrophobicContact CG-CD1 3.74Å; L346-L350 HydrophobicContact CG-CG 4.02Å; L346-L350 WeakPolarHBondContact O-CB 3.34Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.47Å; L346-Y567 HydrophobicContact CD1-CE2 4.15Å; L346-Y575 HydrophobicContact CD2-CE1 3.96Å; L346-Y575 VanDerWaalsContact CD2-OH 3.29Å; L346-Y575 WeakPolarHBondContact CD2-OH 3.33Å; L346-M634 HydrophobicContact CD2-CG 4.46Å
347	Y	91.9	Very high	90.6	Very high	29 Å²	29	49 Å²	49	11%	0.114	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-42.4	-177.4	-175.3	-139.8	0	0	0	113.2	N345 C351 R366 L369 M631 M634 E647	N345-Y347 VanDerWaalsContact C-N 3.25Å; N345-Y347 PolarHBondContact O-N 3.48Å; N345-Y347 VanDerWaalsContact O-N 3.16Å; Y347-C351 PolarHBondContact O-N 3.35Å; Y347-C351 PolarHBondContact O-SG 3.15Å; Y347-R366 HydrophobicContact CE1-CB 4.48Å; Y347-R366 HydrophobicContact CE1-CG 3.75Å; Y347-R366 HydrophobicContact CE2-CB 4.11Å; Y347-R366 HydrophobicContact CE2-CG 3.86Å; Y347-R366 VanDerWaalsContact OH-CB 3.24Å; Y347-R366 WeakPolarHBondContact OH-CB 3.36Å; Y347-R366 WeakPolarHBondContact OH-CG 3.44Å; Y347-L369 HydrophobicContact CD2-CD2 4.13Å; Y347-L369 HydrophobicContact CE2-CD2 4.13Å; Y347-M631 HydrophobicContact CE1-CE 4.45Å; Y347-M631 HydrophobicContact CE2-CE 4.24Å; Y347-M631 HydrophobicContact CE2-SD 4.38Å; Y347-M634 HydrophobicContact CD2-CE 3.58Å; Y347-M634 HydrophobicContact CD2-SD 3.45Å; Y347-M634 WeakPolarHBondContact CD2-SD 3.42Å; Y347-M634 HydrophobicContact CE2-CE 4.31Å; Y347-M634 HydrophobicContact CE2-SD 4.15Å; Y347-M634 HydrophobicContact CG-CE 3.85Å; Y347-M634 HydrophobicContact CG-SD 4.22Å; Y347-E647 HydrophobicContact CE1-CG 4.4Å
348	H	92.2	Very high	90.5	Very high	93 Å²	93	49.6 Å²	49.6	43%	0.431	25%	0.246	S	C	.	.	H	α-helix	trans	-77.7	-40.4	178.9	-177.9	65.9	0	0	0	112	N345 L346 L350 C351 T352	N345-H348 PolarHBondContact O-N 3.42Å; N345-H348 VanDerWaalsContact O-N 3.09Å; L346-H348 VanDerWaalsContact C-N 3.32Å; L346-H348 PolarHBondContact O-N 2.84Å; H348-L350 PolarHBondContact O-N 3.31Å; H348-C351 PolarHBondContact O-N 3.11Å; H348-T352 PolarHBondContact O-N 3.12Å; H348-T352 PolarHBondContact O-OG1 3.01Å
349	N	92.7	Very high	90.3	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-38.6	179.7	-69.9	-15.9	0	0	0	111.7	D343 N345 L346 T352 S353 Y567	D343-N349 PolarHBondContact OD2-ND2 2.93Å; N345-N349 PolarHBondContact O-N 3.38Å; L346-N349 PolarHBondContact O-N 3.18Å; N349-T352 PolarHBondContact O-N 3.24Å; N349-S353 VanDerWaalsContact O-CB 3.29Å; N349-S353 WeakPolarHBondContact O-CB 3.35Å; N349-S353 PolarHBondContact O-N 3.44Å; N349-S353 PolarHBondContact O-OG 3.36Å; N349-Y567 HydrophobicContact CB-CD2 4.26Å; N349-Y567 HydrophobicContact CB-CE2 3.63Å
350	L	92.3	Very high	89.9	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-43.1	173.7	-71	179.7	0	0	0	112.2	L346 H348 T352 S353 L354 L369 F373 Y567 I572 M634	L346-L350 HydrophobicContact CD1-CD1 3.79Å; L346-L350 HydrophobicContact CD1-CD2 4.07Å; L346-L350 HydrophobicContact CD1-CG 3.67Å; L346-L350 HydrophobicContact CD2-CD1 4.31Å; L346-L350 HydrophobicContact CG-CD1 3.74Å; L346-L350 HydrophobicContact CG-CG 4.02Å; L346-L350 WeakPolarHBondContact O-CB 3.34Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.47Å; H348-L350 PolarHBondContact O-N 3.31Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 3.34Å; L350-S353 WeakPolarHBondContact CA-OG 3.43Å; L350-S353 PolarHBondContact O-N 2.96Å; L350-S353 PolarHBondContact O-OG 2.9Å; L350-S353 VanDerWaalsContact O-OG 3.1Å; L350-L354 VanDerWaalsContact O-CB 3.25Å; L350-L354 WeakPolarHBondContact O-CB 3.39Å; L350-L354 PolarHBondContact O-N 3.46Å; L350-L369 HydrophobicContact CB-CD1 3.43Å; L350-L369 VanDerWaalsContact CB-CD1 3.43Å; L350-L369 HydrophobicContact CD1-CD1 4.16Å; L350-L369 HydrophobicContact CG-CD1 4.45Å; L350-F373 HydrophobicContact CD1-CE2 4.3Å; L350-F373 HydrophobicContact CD1-CZ 4.18Å; L350-Y567 HydrophobicContact CD2-CD2 4.07Å; L350-I572 HydrophobicContact CD2-CD1 4.39Å; L350-I572 HydrophobicContact CD2-CG1 3.95Å; L350-I572 HydrophobicContact CD2-CG2 4.05Å; L350-M634 HydrophobicContact CD1-CG 4.44Å
351	C	91.2	Very high	89.6	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.027	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-43.2	176.7	-68.8	0	0	0	0	111.9	Y347 H348 F355 K365	Y347-C351 PolarHBondContact O-N 3.35Å; Y347-C351 PolarHBondContact O-SG 3.15Å; H348-C351 PolarHBondContact O-N 3.11Å; C351-F355 PolarHBondContact O-N 2.6Å; C351-F355 VanDerWaalsContact O-N 3.13Å; C351-K365 HydrophobicContact CB-CB 4.19Å
352	T	90.3	Very high	89.6	Confident	69 Å²	69	50.8 Å²	50.8	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-72.3	-36.2	-177.6	-53.3	0	0	0	0	111.9	H348 N349 L350 P356	H348-T352 PolarHBondContact O-N 3.12Å; H348-T352 PolarHBondContact O-OG1 3.01Å; N349-T352 PolarHBondContact O-N 3.24Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 3.34Å; T352-P356 WeakPolarHBondContact O-CA 3.24Å
353	S	90.9	Very high	89.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-76.4	-32.8	178.1	52.1	0	0	0	0	113.7	N349 L350 I572	N349-S353 VanDerWaalsContact O-CB 3.29Å; N349-S353 WeakPolarHBondContact O-CB 3.35Å; N349-S353 PolarHBondContact O-N 3.44Å; N349-S353 PolarHBondContact O-OG 3.36Å; L350-S353 WeakPolarHBondContact CA-OG 3.43Å; L350-S353 PolarHBondContact O-N 2.96Å; L350-S353 PolarHBondContact O-OG 2.9Å; L350-S353 VanDerWaalsContact O-OG 3.1Å; S353-I572 WeakPolarHBondContact OG-CD1 3.12Å
354	L	89.6	Confident	89.6	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	24%	0.236	C	C	.	.	H	α-helix	trans	-76.5	-38.2	177.4	-171.6	63.5	0	0	0	112.3	L350 P356 L372 F412 L569	L350-L354 VanDerWaalsContact O-CB 3.25Å; L350-L354 WeakPolarHBondContact O-CB 3.39Å; L350-L354 PolarHBondContact O-N 3.46Å; L354-P356 VanDerWaalsContact O-CD 3.26Å; L354-P356 WeakPolarHBondContact O-CD 3.3Å; L354-L372 HydrophobicContact CD2-CD1 3.86Å; L354-F412 HydrophobicContact CD1-CB 4.21Å; L354-F412 HydrophobicContact CD1-CD1 3.93Å; L354-F412 HydrophobicContact CD1-CD2 3.52Å; L354-F412 HydrophobicContact CD1-CE1 4.19Å; L354-F412 HydrophobicContact CD1-CE2 3.79Å; L354-F412 HydrophobicContact CD1-CG 3.59Å; L354-F412 HydrophobicContact CD1-CZ 4.13Å; L354-L569 HydrophobicContact CD1-CD2 4.09Å
355	F	89.8	Confident	89.8	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.013	20%	0.198	C	C	.	.			trans	-120.5	64.5	-179.1	-55	-71.6	0	0	0	112.7	C351 I358 K365 V368 F405 H408 V409	C351-F355 PolarHBondContact O-N 2.6Å; C351-F355 VanDerWaalsContact O-N 3.13Å; F355-I358 HydrophobicContact CB-CB 4.4Å; F355-I358 HydrophobicContact CB-CD1 4.5Å; F355-I358 HydrophobicContact CD1-CD1 4.01Å; F355-K365 HydrophobicContact CB-CD 4.09Å; F355-K365 HydrophobicContact CB-CG 4.29Å; F355-K365 HydrophobicContact CD2-CB 3.9Å; F355-K365 HydrophobicContact CD2-CD 4.21Å; F355-K365 HydrophobicContact CD2-CG 3.69Å; F355-K365 HydrophobicContact CE2-CB 4.24Å; F355-K365 HydrophobicContact CE2-CG 4.34Å; F355-K365 HydrophobicContact CG-CG 4.2Å; F355-V368 HydrophobicContact CE2-CG1 4.42Å; F355-V368 HydrophobicContact CZ-CB 4.46Å; F355-V368 HydrophobicContact CZ-CG1 3.87Å; F355-F405 HydrophobicContact CD1-CD1 4.01Å; F355-F405 HydrophobicContact CD1-CE1 4.19Å; F355-F405 AromaticContact CE1-CD1 3.82Å; F355-F405 HydrophobicContact CE1-CD1 3.82Å; F355-F405 HydrophobicContact CE1-CE1 4.36Å; F355-F405 HydrophobicContact CG-CE1 4.32Å; F355-F405 HydrophobicContact CZ-CD1 4.2Å; F355-H408 HydrophobicContact CD1-CB 4.24Å; F355-H408 AromaticContact CD1-ND1 3.79Å; F355-H408 HydrophobicContact CE1-CB 3.92Å; F355-V409 HydrophobicContact CZ-CG2 4.41Å
356	P	87.2	Confident	89.9	Confident	26 Å²	26	34.2 Å²	34.2	17%	0.169	18%	0.18	C	C	.	.	S	Bend	trans	-74.4	-27.3	-177	29	-34.1	0	0	0	112.7	T352 L354 R551 I563	T352-P356 WeakPolarHBondContact O-CA 3.24Å; L354-P356 VanDerWaalsContact O-CD 3.26Å; L354-P356 WeakPolarHBondContact O-CD 3.3Å; P356-R551 VanDerWaalsContact O-CZ 3.22Å; P356-R551 PolarHBondContact O-NE 3.32Å; P356-R551 PolarHBondContact O-NH2 3.05Å; P356-I563 HydrophobicContact CB-CG2 3.59Å; P356-I563 HydrophobicContact CG-CD1 4.23Å; P356-I563 HydrophobicContact CG-CG1 4.39Å; P356-I563 HydrophobicContact CG-CG2 3.35Å
357	T	86.5	Confident	89.9	Confident	39 Å²	39	34.2 Å²	34.2	24%	0.239	18%	0.18	C	C	.	.	S	Bend	trans	-85.6	-13.6	-177.3	55.9	0	0	0	0	113.1	H408 L555 I563	T357-H408 PolarHBondContact OG1-CE1 3.16Å; T357-L555 HydrophobicContact CG2-CD1 4.35Å; T357-I563 HydrophobicContact CG2-CD1 3.98Å
358	I	87.4	Confident	90	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.087	18%	0.175	C	C	.	.			trans	-100.5	115.9	-176	-56.2	178	0	0	0	109.1	F355 K365 Q404 F405	F355-I358 HydrophobicContact CB-CB 4.4Å; F355-I358 HydrophobicContact CB-CD1 4.5Å; F355-I358 HydrophobicContact CD1-CD1 4.01Å; I358-K365 WeakPolarHBondContact O-CE 3.36Å; I358-K365 PolarHBondContact O-NZ 3.04Å; I358-Q404 HydrophobicContact CD1-CB 4.36Å; I358-F405 HydrophobicContact CD1-CD1 3.72Å; I358-F405 HydrophobicContact CD1-CD2 4.43Å; I358-F405 HydrophobicContact CD1-CE1 3.66Å; I358-F405 HydrophobicContact CD1-CE2 4.39Å; I358-F405 HydrophobicContact CD1-CG 4.13Å; I358-F405 HydrophobicContact CD1-CZ 4.04Å; I358-F405 HydrophobicContact CG2-CE1 4.19Å; I358-F405 HydrophobicContact CG2-CE2 4.22Å; I358-F405 HydrophobicContact CG2-CZ 3.69Å
359	H	85.8	Confident	90.1	Very high	102 Å²	102	28.8 Å²	28.8	47%	0.472	16%	0.156	S	C	.	.			trans	-86.4	141.1	174.7	-178.4	-96.7	0	0	0	111.2	I548	H359-I548 HydrophobicContact CB-CG1 4.49Å
360	G	84.7	Confident	90.2	Very high	26 Å²	26	27 Å²	27	27%	0.268	15%	0.147	S	C	.	.	S	Bend	trans	77.5	-166.2	178.3	0	0	0	0	0	115.1	D362 K365	G360-D362 PolarHBondContact O-N 2.99Å; G360-K365 WeakPolarHBondContact O-CE 3.44Å; G360-K365 PolarHBondContact O-NZ 2.87Å; G360-K365 VanDerWaalsContact O-NZ 3.13Å
361	N	84.6	Confident	90.3	Very high	71 Å²	71	27.2 Å²	27.2	38%	0.38	15%	0.148	S	C	.	.			trans	50.6	46.1	175.3	-62.7	-29.2	0	0	0	114.6	E363 V364 K365 L536	N361-E363 PolarHBondContact O-N 3.13Å; N361-V364 HydrophobicContact CB-CB 4.36Å; N361-V364 HydrophobicContact CB-CG2 4.11Å; N361-V364 WeakPolarHBondContact O-CB 3.47Å; N361-V364 PolarHBondContact O-N 3.48Å; N361-K365 PolarHBondContact O-N 3.03Å; N361-L536 HydrophobicContact CB-CD2 4.11Å; N361-L536 WeakPolarHBondContact ND2-CD2 3.39Å; N361-L536 WeakPolarHBondContact OD1-CD2 3.49Å
362	D	89.7	Confident	90.3	Very high	68 Å²	68	27.6 Å²	27.6	36%	0.364	15%	0.149	S	C	.	.	H	α-helix	trans	-62.6	-29.7	-175.9	-68.2	-34.6	0	0	0	113.4	G360 V364 K365 R366	G360-D362 PolarHBondContact O-N 2.99Å; D362-V364 VanDerWaalsContact C-N 3.31Å; D362-V364 PolarHBondContact O-N 3.03Å; D362-K365 PolarHBondContact O-N 2.93Å; D362-K365 IonicContact OD1-NZ 3.6Å; D362-R366 WeakPolarHBondContact O-CB 3.26Å; D362-R366 WeakPolarHBondContact O-CG 3.37Å; D362-R366 PolarHBondContact O-N 3.27Å
363	E	90.1	Very high	90.4	Very high	52 Å²	52	24.5 Å²	24.5	24%	0.243	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-33.8	175.8	-54.5	-58.4	175	0	0	112.2	N361 R366 G367 F534 R650 L651	N361-E363 PolarHBondContact O-N 3.13Å; E363-R366 VanDerWaalsContact CD-NH1 3.26Å; E363-R366 IonicContact OE1-NH1 2.75Å; E363-R366 PolarHBondContact OE1-NH1 3.1Å; E363-R366 IonicContact OE2-NH1 3.65Å; E363-R366 PolarHBondContact OE2-NH1 2.76Å; E363-G367 PolarHBondContact O-N 3.34Å; E363-F534 HydrophobicContact CB-CE1 4.27Å; E363-F534 WeakPolarHBondContact O-CZ 3.3Å; E363-R650 IonicContact OE1-CZ 2.65Å; E363-R650 IonicContact OE1-NH1 2.9Å; E363-R650 PolarHBondContact OE1-NH1 3.44Å; E363-R650 IonicContact OE1-NH2 3.64Å; E363-R650 IonicContact OE2-CZ 3.45Å; E363-R650 IonicContact OE2-NH1 3.57Å; E363-R650 PolarHBondContact OE2-NH1 2.93Å; E363-R650 IonicContact OE2-NH2 2.8Å; E363-R650 PolarHBondContact OE2-NH2 3.21Å; E363-L651 HydrophobicContact CB-CD1 4.21Å
364	V	92.6	Very high	90.3	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.132	C	C	.	.	H	α-helix	trans	-69.7	-45.7	176	-174.8	0	0	0	0	110.3	N361 D362 R366 G367 V368 I394 F405 F534 L536	N361-V364 HydrophobicContact CB-CB 4.36Å; N361-V364 HydrophobicContact CB-CG2 4.11Å; N361-V364 WeakPolarHBondContact O-CB 3.47Å; N361-V364 PolarHBondContact O-N 3.48Å; D362-V364 VanDerWaalsContact C-N 3.31Å; D362-V364 PolarHBondContact O-N 3.03Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 3.46Å; V364-G367 PolarHBondContact O-N 3.27Å; V364-G367 VanDerWaalsContact O-N 3.17Å; V364-V368 HydrophobicContact CG1-CG2 4.27Å; V364-V368 WeakPolarHBondContact O-CG2 3.44Å; V364-V368 PolarHBondContact O-N 2.7Å; V364-I394 HydrophobicContact CG1-CD1 3.78Å; V364-I394 HydrophobicContact CG1-CG1 4.18Å; V364-F405 HydrophobicContact CG1-CE2 4.32Å; V364-F405 HydrophobicContact CG1-CZ 4.3Å; V364-F534 HydrophobicContact CB-CD2 4.41Å; V364-F534 HydrophobicContact CB-CG 4.35Å; V364-F534 HydrophobicContact CG1-CD2 4.16Å; V364-F534 HydrophobicContact CG1-CG 4.43Å; V364-F534 HydrophobicContact CG2-CB 3.66Å; V364-F534 HydrophobicContact CG2-CD1 4.06Å; V364-F534 HydrophobicContact CG2-CD2 4.27Å; V364-F534 HydrophobicContact CG2-CG 3.74Å; V364-L536 HydrophobicContact CG2-CD2 3.81Å
365	K	93.3	Very high	90.3	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-45	176.9	-65.9	175.8	-177.6	168.5	0	111.4	C351 F355 I358 G360 N361 D362 V368 L369 F405	C351-K365 HydrophobicContact CB-CB 4.19Å; F355-K365 HydrophobicContact CB-CD 4.09Å; F355-K365 HydrophobicContact CB-CG 4.29Å; F355-K365 HydrophobicContact CD2-CB 3.9Å; F355-K365 HydrophobicContact CD2-CD 4.21Å; F355-K365 HydrophobicContact CD2-CG 3.69Å; F355-K365 HydrophobicContact CE2-CB 4.24Å; F355-K365 HydrophobicContact CE2-CG 4.34Å; F355-K365 HydrophobicContact CG-CG 4.2Å; I358-K365 WeakPolarHBondContact O-CE 3.36Å; I358-K365 PolarHBondContact O-NZ 3.04Å; G360-K365 WeakPolarHBondContact O-CE 3.44Å; G360-K365 PolarHBondContact O-NZ 2.87Å; G360-K365 VanDerWaalsContact O-NZ 3.13Å; N361-K365 PolarHBondContact O-N 3.03Å; D362-K365 PolarHBondContact O-N 2.93Å; D362-K365 IonicContact OD1-NZ 3.6Å; K365-V368 PolarHBondContact O-N 2.71Å; K365-L369 WeakPolarHBondContact O-CB 3.47Å; K365-L369 PolarHBondContact O-N 3.21Å; K365-F405 HydrophobicContact CG-CE1 3.91Å; K365-F405 HydrophobicContact CG-CZ 4.35Å
366	R	93	Very high	90.3	Very high	49 Å²	49	24.6 Å²	24.6	19%	0.185	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-48.7	175.1	-79.7	176.8	-174.5	150.7	3	112.6	Y347 D362 E363 V364 L369 L370	Y347-R366 HydrophobicContact CE1-CB 4.48Å; Y347-R366 HydrophobicContact CE1-CG 3.75Å; Y347-R366 HydrophobicContact CE2-CB 4.11Å; Y347-R366 HydrophobicContact CE2-CG 3.86Å; Y347-R366 VanDerWaalsContact OH-CB 3.24Å; Y347-R366 WeakPolarHBondContact OH-CB 3.36Å; Y347-R366 WeakPolarHBondContact OH-CG 3.44Å; D362-R366 WeakPolarHBondContact O-CB 3.26Å; D362-R366 WeakPolarHBondContact O-CG 3.37Å; D362-R366 PolarHBondContact O-N 3.27Å; E363-R366 VanDerWaalsContact CD-NH1 3.26Å; E363-R366 IonicContact OE1-NH1 2.75Å; E363-R366 PolarHBondContact OE1-NH1 3.1Å; E363-R366 IonicContact OE2-NH1 3.65Å; E363-R366 PolarHBondContact OE2-NH1 2.76Å; V364-R366 VanDerWaalsContact C-N 3.27Å; V364-R366 PolarHBondContact O-N 3.46Å; R366-L369 PolarHBondContact O-N 3.48Å; R366-L370 WeakPolarHBondContact O-CG 3.38Å; R366-L370 PolarHBondContact O-N 3.49Å
367	G	92.8	Very high	90.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-43	177.8	0	0	0	0	0	113.4	E363 V364 L369 L370 M371	E363-G367 PolarHBondContact O-N 3.34Å; V364-G367 PolarHBondContact O-N 3.27Å; V364-G367 VanDerWaalsContact O-N 3.17Å; G367-L369 VanDerWaalsContact C-N 3.29Å; G367-L369 PolarHBondContact O-N 3.43Å; G367-L370 PolarHBondContact O-N 3.27Å; G367-M371 PolarHBondContact O-N 3.1Å
368	V	94.2	Very high	90.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-35.7	175.8	174	0	0	0	0	111.3	F355 V364 K365 M371 L372 V409 L500	F355-V368 HydrophobicContact CE2-CG1 4.42Å; F355-V368 HydrophobicContact CZ-CB 4.46Å; F355-V368 HydrophobicContact CZ-CG1 3.87Å; V364-V368 HydrophobicContact CG1-CG2 4.27Å; V364-V368 WeakPolarHBondContact O-CG2 3.44Å; V364-V368 PolarHBondContact O-N 2.7Å; K365-V368 PolarHBondContact O-N 2.71Å; V368-M371 HydrophobicContact CG1-CE 4.23Å; V368-M371 WeakPolarHBondContact O-CB 3.4Å; V368-M371 PolarHBondContact O-N 2.78Å; V368-L372 WeakPolarHBondContact O-CG 3.25Å; V368-L372 PolarHBondContact O-N 3.03Å; V368-L372 VanDerWaalsContact O-N 3.1Å; V368-V409 HydrophobicContact CG1-CG2 3.55Å; V368-L500 HydrophobicContact CG2-CD1 4.27Å
369	L	93.8	Very high	90.4	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-44.1	174.9	-178.9	149.6	0	0	0	111.8	Y347 L350 K365 R366 G367 M371 L372 F373 M634	Y347-L369 HydrophobicContact CD2-CD2 4.13Å; Y347-L369 HydrophobicContact CE2-CD2 4.13Å; L350-L369 HydrophobicContact CB-CD1 3.43Å; L350-L369 VanDerWaalsContact CB-CD1 3.43Å; L350-L369 HydrophobicContact CD1-CD1 4.16Å; L350-L369 HydrophobicContact CG-CD1 4.45Å; K365-L369 WeakPolarHBondContact O-CB 3.47Å; K365-L369 PolarHBondContact O-N 3.21Å; R366-L369 PolarHBondContact O-N 3.48Å; G367-L369 VanDerWaalsContact C-N 3.29Å; G367-L369 PolarHBondContact O-N 3.43Å; L369-M371 VanDerWaalsContact C-N 3.27Å; L369-M371 PolarHBondContact O-N 2.94Å; L369-L372 WeakPolarHBondContact O-CB 3.44Å; L369-L372 PolarHBondContact O-N 3.46Å; L369-L372 VanDerWaalsContact O-N 3.11Å; L369-F373 HydrophobicContact CD2-CD2 3.68Å; L369-F373 HydrophobicContact CD2-CE2 3.51Å; L369-F373 HydrophobicContact CG-CD2 4.2Å; L369-F373 HydrophobicContact CG-CE2 3.91Å; L369-F373 VanDerWaalsContact O-CD2 3.3Å; L369-F373 WeakPolarHBondContact O-CD2 3.44Å; L369-F373 PolarHBondContact O-N 3.47Å; L369-M634 HydrophobicContact CD2-CG 4.43Å; L369-M634 HydrophobicContact CD2-SD 3.48Å; L369-M634 WeakPolarHBondContact CD2-SD 3.5Å
370	L	93.9	Very high	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-34.9	175.3	-65.3	175.7	0	0	0	112.5	R366 G367 L372 F373 G374 L627 A630 M631 L651	R366-L370 WeakPolarHBondContact O-CG 3.38Å; R366-L370 PolarHBondContact O-N 3.49Å; G367-L370 PolarHBondContact O-N 3.27Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-F373 PolarHBondContact O-N 3.41Å; L370-G374 PolarHBondContact O-N 3.13Å; L370-L627 HydrophobicContact CB-CD2 4.31Å; L370-L627 HydrophobicContact CD1-CD2 3.92Å; L370-A630 HydrophobicContact CD2-CB 4.44Å; L370-M631 HydrophobicContact CD1-CE 3.74Å; L370-M631 HydrophobicContact CD2-CB 4.3Å; L370-M631 HydrophobicContact CD2-CE 3.63Å; L370-M631 HydrophobicContact CD2-SD 3.97Å; L370-M631 HydrophobicContact CG-CE 4.23Å; L370-L651 HydrophobicContact CD1-CD2 3.67Å
371	M	94.5	Very high	90.6	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-41.7	172.5	-175.4	-164.6	76.3	0	0	111.9	G367 V368 L369 G374 V392 V409 V456 S498 L500	G367-M371 PolarHBondContact O-N 3.1Å; V368-M371 HydrophobicContact CG1-CE 4.23Å; V368-M371 WeakPolarHBondContact O-CB 3.4Å; V368-M371 PolarHBondContact O-N 2.78Å; L369-M371 VanDerWaalsContact C-N 3.27Å; L369-M371 PolarHBondContact O-N 2.94Å; M371-G374 PolarHBondContact O-N 3.34Å; M371-V392 HydrophobicContact CB-CG2 3.88Å; M371-V392 HydrophobicContact CG-CG2 4.05Å; M371-V392 HydrophobicContact SD-CB 4.07Å; M371-V392 HydrophobicContact SD-CG2 3.94Å; M371-V409 HydrophobicContact CE-CG1 4.28Å; M371-V456 HydrophobicContact CE-CG1 3.68Å; M371-V456 HydrophobicContact CE-CG2 4.17Å; M371-V456 HydrophobicContact SD-CG1 4.43Å; M371-S498 WeakPolarHBondContact CG-OG 3.36Å; M371-L500 HydrophobicContact CE-CB 4.07Å; M371-L500 HydrophobicContact CE-CD2 4.21Å; M371-L500 HydrophobicContact SD-CB 3.86Å; M371-L500 HydrophobicContact SD-CD1 4.15Å; M371-L500 HydrophobicContact SD-CG 4.46Å
372	L	92.8	Very high	90.7	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-33.1	178.5	-74.8	172.1	0	0	0	113.6	L354 V368 L369 L370 V409 F412 V456 L576	L354-L372 HydrophobicContact CD2-CD1 3.86Å; V368-L372 WeakPolarHBondContact O-CG 3.25Å; V368-L372 PolarHBondContact O-N 3.03Å; V368-L372 VanDerWaalsContact O-N 3.1Å; L369-L372 WeakPolarHBondContact O-CB 3.44Å; L369-L372 PolarHBondContact O-N 3.46Å; L369-L372 VanDerWaalsContact O-N 3.11Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L372-V409 HydrophobicContact CD2-CG1 4.26Å; L372-F412 HydrophobicContact CD1-CD1 3.98Å; L372-F412 HydrophobicContact CD1-CE1 3.98Å; L372-V456 HydrophobicContact CD2-CG2 4.11Å; L372-L576 HydrophobicContact CB-CD1 3.92Å
373	F	91.9	Very high	90.3	Very high	5 Å²	5	39 Å²	39	2%	0.022	24%	0.24	C	C	.	.	H	α-helix	trans	-74.4	-39.5	173.1	-79	-77.3	0	0	0	112.2	L350 L369 L370 Y575 A579 R580 M634	L350-F373 HydrophobicContact CD1-CE2 4.3Å; L350-F373 HydrophobicContact CD1-CZ 4.18Å; L369-F373 HydrophobicContact CD2-CD2 3.68Å; L369-F373 HydrophobicContact CD2-CE2 3.51Å; L369-F373 HydrophobicContact CG-CD2 4.2Å; L369-F373 HydrophobicContact CG-CE2 3.91Å; L369-F373 VanDerWaalsContact O-CD2 3.3Å; L369-F373 WeakPolarHBondContact O-CD2 3.44Å; L369-F373 PolarHBondContact O-N 3.47Å; L370-F373 PolarHBondContact O-N 3.41Å; F373-Y575 HydrophobicContact CE1-CD1 4.14Å; F373-Y575 HydrophobicContact CE1-CE1 4.07Å; F373-Y575 HydrophobicContact CZ-CD1 4.04Å; F373-Y575 AromaticContact CZ-CE1 4Å; F373-Y575 HydrophobicContact CZ-CE1 4Å; F373-A579 HydrophobicContact CD1-CB 3.91Å; F373-A579 HydrophobicContact CE1-CB 3.56Å; F373-R580 WeakPolarHBondContact O-CG 3.44Å; F373-M634 HydrophobicContact CD1-CB 4.38Å; F373-M634 HydrophobicContact CD2-CB 4.03Å; F373-M634 HydrophobicContact CD2-CG 4.21Å; F373-M634 HydrophobicContact CE1-CB 4.28Å; F373-M634 HydrophobicContact CE1-CG 4.45Å; F373-M634 HydrophobicContact CE2-CB 3.96Å; F373-M634 HydrophobicContact CE2-CG 3.67Å; F373-M634 HydrophobicContact CE2-SD 4.3Å; F373-M634 HydrophobicContact CG-CB 4.27Å; F373-M634 HydrophobicContact CZ-CB 4.08Å; F373-M634 HydrophobicContact CZ-CG 3.8Å
374	G	88.3	Confident	90	Very high	6 Å²	6	40 Å²	40	6%	0.062	25%	0.25	C	S	.	.			trans	68.7	154.7	179.9	0	0	0	0	0	114.2	L370 M371 R633	L370-G374 PolarHBondContact O-N 3.13Å; M371-G374 PolarHBondContact O-N 3.34Å; G374-R633 VanDerWaalsContact O-CD 3.3Å; G374-R633 WeakPolarHBondContact O-CD 3.4Å; G374-R633 PolarHBondContact O-NH1 3.1Å
375	G	88.8	Confident	89.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.01	28%	0.28	C	S	.	.			trans	-86.8	-177	176.5	0	0	0	0	0	113.2	P377 G388 R633	G375-P377 WeakPolarHBondContact O-CD 3.34Å; G375-G388 CarbonylContact C-O 3.48Å; G375-G388 WeakPolarHBondContact CA-O 3.4Å; G375-G388 PolarHBondContact N-O 3.18Å; G375-R633 PolarHBondContact O-NH1 3.31Å
376	V	90.7	Very high	89.3	Confident	14 Å²	14	48 Å²	48	9%	0.085	30%	0.3	C	S	.	.			trans	-85.5	117	-175.4	-176	0	0	0	0	110.4	K378 K583 E629	V376-K378 HydrophobicContact CG1-CG 4.21Å; V376-K583 HydrophobicContact CG1-CB 4.4Å; V376-K583 HydrophobicContact CG1-CG 4.46Å; V376-E629 WeakPolarHBondContact CB-OE2 3.44Å; V376-E629 HydrophobicContact CG2-CB 4.27Å; V376-E629 HydrophobicContact CG2-CG 4.4Å; V376-E629 PolarHBondContact N-OE2 3.01Å
377	P	89.1	Confident	89.1	Confident	85 Å²	85	47.5 Å²	47.5	55%	0.552	30%	0.299	S	S	*	.			trans	-69.9	132.2	170	29.6	-33.2	0	0	0	109.3	G375	G375-P377 WeakPolarHBondContact O-CD 3.34Å
378	K	88.3	Confident	88.8	Confident	83 Å²	83	47.5 Å²	47.5	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	-177	-62.4	172.1	-170.6	170.9	0	109.8	V376 L386 E629	V376-K378 HydrophobicContact CG1-CG 4.21Å; K378-L386 HydrophobicContact CB-CB 4.22Å; K378-L386 HydrophobicContact CB-CD1 4.26Å; K378-L386 PolarHBondContact N-O 3.32Å; K378-L386 PolarHBondContact O-N 3.01Å; K378-E629 WeakPolarHBondContact CE-OE1 3.17Å; K378-E629 IonicContact NZ-OE1 2.95Å; K378-E629 PolarHBondContact NZ-OE1 3.03Å
379	T	86.5	Confident	88.6	Confident	106 Å²	106	48.8 Å²	48.8	65%	0.65	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.9	171.5	-50.6	0	0	0	0	108.1
380	T	87.8	Confident	88.6	Confident	46 Å²	46	48.5 Å²	48.5	28%	0.282	30%	0.304	S	S	.	.			trans	-76.1	161.6	177.8	70.2	0	0	0	0	110.4	E382 G383 T384 L386	T380-E382 PolarHBondContact O-N 3.4Å; T380-E382 VanDerWaalsContact O-N 3.14Å; T380-E382 PolarHBondContact OG1-N 2.67Å; T380-G383 PolarHBondContact O-N 2.87Å; T380-T384 WeakPolarHBondContact CG2-OG1 3.06Å; T380-T384 PolarHBondContact N-O 3.49Å; T380-T384 PolarHBondContact OG1-N 3.42Å; T380-T384 PolarHBondContact OG1-O 2.7Å; T380-T384 PolarHBondContact OG1-OG1 2.77Å; T380-L386 HydrophobicContact CG2-CD1 4.06Å; T380-L386 HydrophobicContact CG2-CG 4.1Å
381	G	86	Confident	88.6	Confident	95 Å²	95	48.6 Å²	48.6	98%	0.979	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.1	175.3	0	0	0	0	0	114.2	G383	G381-G383 VanDerWaalsContact C-N 3.3Å
382	E	85.8	Confident	88.6	Confident	179 Å²	179	48.4 Å²	48.4	84%	0.836	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.2	176.6	-59.9	-174.8	168.1	0	0	112.9	T380	T380-E382 PolarHBondContact O-N 3.4Å; T380-E382 VanDerWaalsContact O-N 3.14Å; T380-E382 PolarHBondContact OG1-N 2.67Å
383	G	81.8	Confident	88.6	Confident	56 Å²	56	47.8 Å²	47.8	58%	0.577	30%	0.301	S	S	*	.	S	Bend	trans	83.6	6.3	-179.4	0	0	0	0	0	114.4	T380 G381	T380-G383 PolarHBondContact O-N 2.87Å; G381-G383 VanDerWaalsContact C-N 3.3Å
384	T	85	Confident	88.7	Confident	73 Å²	73	47.6 Å²	47.6	45%	0.448	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-80.4	136.1	171.9	61.4	0	0	0	0	110.3	T380	T380-T384 WeakPolarHBondContact CG2-OG1 3.06Å; T380-T384 PolarHBondContact N-O 3.49Å; T380-T384 PolarHBondContact OG1-N 3.42Å; T380-T384 PolarHBondContact OG1-O 2.7Å; T380-T384 PolarHBondContact OG1-OG1 2.77Å
385	S	84.1	Confident	88.9	Confident	94 Å²	94	47.3 Å²	47.3	66%	0.657	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.4	177.1	-64.5	0	0	0	0	109.8
386	L	86.6	Confident	89	Confident	91 Å²	91	47.2 Å²	47.2	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.6	171.3	-62.1	174.7	0	0	0	108.7	K378 T380 G388	K378-L386 HydrophobicContact CB-CB 4.22Å; K378-L386 HydrophobicContact CB-CD1 4.26Å; K378-L386 PolarHBondContact N-O 3.32Å; K378-L386 PolarHBondContact O-N 3.01Å; T380-L386 HydrophobicContact CG2-CD1 4.06Å; T380-L386 HydrophobicContact CG2-CG 4.1Å; L386-G388 PolarHBondContact O-N 3.25Å
387	R	89	Confident	89	Confident	39 Å²	39	46.9 Å²	46.9	15%	0.147	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-57.8	129.4	176.7	-179.1	173.1	84.5	-171.7	10.7	110.3	D389 N391 M477 Q480 R529 D531 R626	R387-D389 HydrophobicContact CG-CB 4.44Å; R387-D389 PolarHBondContact NE-O 3.32Å; R387-N391 PolarHBondContact NH1-ND2 3.27Å; R387-N391 VanDerWaalsContact NH1-ND2 3.12Å; R387-M477 PolarHBondContact NH1-O 3.39Å; R387-Q480 HydrophobicContact CB-CG 4.5Å; R387-Q480 HydrophobicContact CG-CG 4.35Å; R387-R529 PolarHBondContact NH1-O 3.44Å; R387-R529 PolarHBondContact NH2-O 2.78Å; R387-D531 IonicContact NH2-OD1 2.95Å; R387-D531 PolarHBondContact NH2-OD1 3.45Å; R387-D531 IonicContact NH2-OD2 3.41Å; R387-D531 PolarHBondContact NH2-OD2 3.48Å; R387-R626 WeakPolarHBondContact O-CD 3.46Å
388	G	86.3	Confident	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	29%	0.288	C	S	.	.			trans	-95.2	-25.7	170.3	0	0	0	0	0	113.2	G375 L386	G375-G388 CarbonylContact C-O 3.48Å; G375-G388 WeakPolarHBondContact CA-O 3.4Å; G375-G388 PolarHBondContact N-O 3.18Å; L386-G388 PolarHBondContact O-N 3.25Å
389	D	90.4	Very high	88.8	Confident	28 Å²	28	48 Å²	48	15%	0.15	31%	0.312	C	S	.	.			trans	-75.1	151.1	-173.2	-50.3	-53	0	0	0	112.2	R387 Q480 R626	R387-D389 HydrophobicContact CG-CB 4.44Å; R387-D389 PolarHBondContact NE-O 3.32Å; D389-Q480 PolarHBondContact OD2-NE2 2.95Å; D389-R626 PolarHBondContact O-NH1 3.39Å
390	I	92.9	Very high	88.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.287	C	S	.	.			trans	-106.4	134.9	-179.9	-62.2	158.4	0	0	0	108.1	V392 S498 D531 R626 L627 A630	I390-V392 HydrophobicContact CG2-CG2 4.3Å; I390-S498 PolarHBondContact O-OG 2.78Å; I390-D531 VanDerWaalsContact CA-OD2 3.28Å; I390-D531 WeakPolarHBondContact CA-OD2 3.24Å; I390-D531 HydrophobicContact CG2-CB 4.06Å; I390-R626 HydrophobicContact CG1-CB 4.08Å; I390-L627 HydrophobicContact CD1-CD2 3.85Å; I390-L627 HydrophobicContact CD1-CG 4.42Å; I390-L627 HydrophobicContact CG2-CD2 4.18Å; I390-A630 HydrophobicContact CD1-CB 3.77Å
391	N	93.8	Very high	88.9	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	29%	0.29	C	S	.	.			trans	-106.2	133.4	175.4	-66	-35.4	0	0	0	110.7	R387 M477 I499 R529 F530 D531 L532	R387-N391 PolarHBondContact NH1-ND2 3.27Å; R387-N391 VanDerWaalsContact NH1-ND2 3.12Å; N391-M477 HydrophobicContact CB-CE 4.14Å; N391-M477 VanDerWaalsContact ND2-CE 3.34Å; N391-M477 WeakPolarHBondContact ND2-CE 3.36Å; N391-I499 PolarHBondContact OD1-N 3.05Å; N391-R529 PolarHBondContact ND2-O 3.19Å; N391-F530 HydrophobicContact CB-CD1 3.75Å; N391-F530 HydrophobicContact CB-CE1 4.22Å; N391-F530 HydrophobicContact CB-CG 4.47Å; N391-D531 PolarHBondContact N-OD2 2.9Å; N391-D531 PolarHBondContact O-N 3.5Å; N391-L532 PolarHBondContact O-N 2.74Å
392	V	94.4	Very high	89.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.3	-176.8	-178.4	0	0	0	0	110	M371 I390 I499 L500 A501 L532 F534	M371-V392 HydrophobicContact CB-CG2 3.88Å; M371-V392 HydrophobicContact CG-CG2 4.05Å; M371-V392 HydrophobicContact SD-CB 4.07Å; M371-V392 HydrophobicContact SD-CG2 3.94Å; I390-V392 HydrophobicContact CG2-CG2 4.3Å; V392-I499 PolarHBondContact N-O 3Å; V392-L500 HydrophobicContact CB-CD1 4Å; V392-L500 HydrophobicContact CG1-CD1 4.03Å; V392-L500 WeakPolarHBondContact O-CA 3.4Å; V392-A501 PolarHBondContact O-N 3.39Å; V392-L532 HydrophobicContact CG2-CB 4.38Å; V392-L532 HydrophobicContact CG2-CD1 4.38Å; V392-F534 HydrophobicContact CG1-CD2 3.74Å; V392-F534 HydrophobicContact CG1-CE2 3.79Å
393	C	93.4	Very high	89.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.2	174.2	-174.2	0	0	0	0	110.3	A501 F530 L532 F533 F534	C393-A501 WeakPolarHBondContact CA-O 3.48Å; C393-F530 HydrophobicContact CB-CB 4.4Å; C393-F530 HydrophobicContact CB-CD1 3.66Å; C393-F530 HydrophobicContact CB-CD2 4.4Å; C393-F530 HydrophobicContact CB-CE1 3.95Å; C393-F530 HydrophobicContact CB-CG 3.91Å; C393-F530 HydrophobicContact CB-CZ 4.44Å; C393-L532 PolarHBondContact N-O 3.32Å; C393-F533 HydrophobicContact CB-CD1 3.83Å; C393-F533 HydrophobicContact CB-CE1 3.72Å; C393-F533 HydrophobicContact CB-CZ 4.31Å; C393-F533 WeakPolarHBondContact O-CA 3.46Å; C393-F534 PolarHBondContact O-N 3.29Å
394	I	93.8	Very high	89.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.7	174.8	-52	174.6	0	0	0	107.9	V364 K402 F405 L500 A501 A502 A503 F534 L536	V364-I394 HydrophobicContact CG1-CD1 3.78Å; V364-I394 HydrophobicContact CG1-CG1 4.18Å; I394-K402 HydrophobicContact CG2-CD 4.06Å; I394-K402 HydrophobicContact CG2-CG 3.83Å; I394-F405 HydrophobicContact CD1-CB 4.26Å; I394-F405 HydrophobicContact CD1-CD2 4.37Å; I394-F405 HydrophobicContact CD1-CG 4.47Å; I394-L500 HydrophobicContact CD1-CD1 4.11Å; I394-L500 HydrophobicContact CG1-CD1 4.37Å; I394-A501 PolarHBondContact N-O 3.02Å; I394-A502 CarbonylContact O-C 3.54Å; I394-A502 WeakPolarHBondContact O-CA 3.37Å; I394-A503 PolarHBondContact O-N 3.34Å; I394-F534 WeakPolarHBondContact CA-O 3.46Å; I394-L536 HydrophobicContact CG2-CD1 3.73Å; I394-L536 HydrophobicContact CG2-CG 4.15Å
395	V	91.9	Very high	90.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.1	175.7	-174.8	0	0	0	0	106.8	A503 P505 I520 F533 F534 I535 L536	V395-A503 WeakPolarHBondContact CA-O 3.22Å; V395-A503 HydrophobicContact CG2-CB 4.34Å; V395-P505 HydrophobicContact CG1-CG 4.47Å; V395-I520 HydrophobicContact CB-CD1 4.2Å; V395-I520 HydrophobicContact CG1-CD1 3.71Å; V395-I520 HydrophobicContact CG1-CG1 4.1Å; V395-I520 HydrophobicContact CG2-CD1 3.52Å; V395-F533 HydrophobicContact CG2-CD1 4.42Å; V395-F534 PolarHBondContact N-O 2.89Å; V395-F534 VanDerWaalsContact O-O 3.12Å; V395-I535 HydrophobicContact CB-CG1 4.38Å; V395-I535 CarbonylContact O-C 3.6Å; V395-I535 VanDerWaalsContact O-CA 3.25Å; V395-I535 WeakPolarHBondContact O-CA 3.45Å; V395-L536 PolarHBondContact O-N 3.3Å
396	G	91	Very high	90.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	179.4	171.8	0	0	0	0	0	113.5	K402 A503 P505 L536	G396-K402 PolarHBondContact O-NZ 3.1Å; G396-A503 PolarHBondContact N-O 2.93Å; G396-P505 WeakPolarHBondContact O-CD 3.38Å; G396-L536 WeakPolarHBondContact CA-O 3.26Å
397	D	90.3	Very high	91	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	16%	0.157	C	C	.	.			trans	-66.7	160.2	178.2	-58.2	-36	0	0	0	111	T400 H509 Y510 L536 D538	D397-T400 HydrophobicContact CB-CG2 4.17Å; D397-T400 WeakPolarHBondContact O-CG2 3.46Å; D397-T400 PolarHBondContact O-OG1 2.83Å; D397-H509 VanDerWaalsContact OD1-CA 3.24Å; D397-H509 WeakPolarHBondContact OD1-CA 3.45Å; D397-Y510 PolarHBondContact OD1-N 2.8Å; D397-L536 PolarHBondContact N-O 3.27Å; D397-D538 HydrophobicContact CB-CB 3.95Å; D397-D538 PolarHBondContact OD2-N 3.44Å
398	P	88.7	Confident	91.1	Very high	65 Å²	65	27.4 Å²	27.4	42%	0.422	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	153.5	169.7	-27.3	33.4	0	0	0	111.8	T400 G508	P398-T400 PolarHBondContact O-N 3.03Å; P398-T400 VanDerWaalsContact O-N 3.1Å; P398-G508 WeakPolarHBondContact CD-O 3.04Å
399	S	85.7	Confident	91.4	Very high	125 Å²	125	27.4 Å²	27.4	87%	0.874	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	5.7	175.4	-54.6	0	0	0	0	117.3	A401	S399-A401 PolarHBondContact O-N 3.41Å
400	T	87.1	Confident	91.3	Very high	21 Å²	21	29.8 Å²	29.8	13%	0.129	17%	0.17	C	C	.	.	S	Bend	trans	-79.6	27	176.9	54.9	0	0	0	0	115	D397 P398 K402 D538	D397-T400 HydrophobicContact CB-CG2 4.17Å; D397-T400 WeakPolarHBondContact O-CG2 3.46Å; D397-T400 PolarHBondContact O-OG1 2.83Å; P398-T400 PolarHBondContact O-N 3.03Å; P398-T400 VanDerWaalsContact O-N 3.1Å; T400-K402 PolarHBondContact O-N 2.91Å; T400-K402 VanDerWaalsContact O-N 3.1Å; T400-K402 WeakPolarHBondContact OG1-CG 3.29Å; T400-D538 HydrophobicContact CG2-CB 4.02Å
401	A	88.3	Confident	91	Very high	40 Å²	40	37.1 Å²	37.1	33%	0.331	20%	0.204	S	C	.	.	S	Bend	trans	58	16.9	179.9	0	0	0	0	0	116.9	S399 S403 Q404 F405	S399-A401 PolarHBondContact O-N 3.41Å; A401-S403 PolarHBondContact O-N 3.1Å; A401-Q404 HydrophobicContact CB-CB 4.37Å; A401-Q404 HydrophobicContact CB-CG 4.43Å; A401-Q404 WeakPolarHBondContact O-CB 3.35Å; A401-Q404 PolarHBondContact O-N 3.01Å; A401-F405 PolarHBondContact O-N 2.88Å
402	K	91.1	Very high	90.7	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.057	21%	0.205	C	C	.	.	H	α-helix	trans	-53.2	-52.7	179.7	-62.9	-179.9	-62.9	-179.4	0	113.5	I394 G396 T400 Q404 F405 L406 A502 A503 N504 L536	I394-K402 HydrophobicContact CG2-CD 4.06Å; I394-K402 HydrophobicContact CG2-CG 3.83Å; G396-K402 PolarHBondContact O-NZ 3.1Å; T400-K402 PolarHBondContact O-N 2.91Å; T400-K402 VanDerWaalsContact O-N 3.1Å; T400-K402 WeakPolarHBondContact OG1-CG 3.29Å; K402-Q404 PolarHBondContact O-N 3.29Å; K402-F405 WeakPolarHBondContact O-CB 3.44Å; K402-F405 PolarHBondContact O-N 2.92Å; K402-F405 VanDerWaalsContact O-N 3.13Å; K402-L406 WeakPolarHBondContact O-CD1 3.15Å; K402-L406 PolarHBondContact O-N 3.42Å; K402-A502 HydrophobicContact CB-CB 4.33Å; K402-A503 PolarHBondContact NZ-O 3.49Å; K402-N504 PolarHBondContact NZ-OD1 3.14Å; K402-L536 HydrophobicContact CG-CD1 4.06Å
403	S	91.9	Very high	90.3	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-21.5	179.1	-45.5	0	0	0	0	112.9	A401 K407 D460	A401-S403 PolarHBondContact O-N 3.1Å; S403-K407 VanDerWaalsContact O-CG 3.32Å; S403-K407 WeakPolarHBondContact O-CG 3.45Å; S403-K407 PolarHBondContact O-N 3.09Å; S403-K407 VanDerWaalsContact O-N 3.09Å; S403-D460 WeakPolarHBondContact CB-OD2 3.44Å; S403-D460 PolarHBondContact OG-OD2 3.37Å
404	Q	91.1	Very high	89.3	Confident	91 Å²	91	41.2 Å²	41.2	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-71.8	-37.1	174.9	-63.6	-65.1	-4.7	0	0	111.7	I358 A401 K402 L406 K407 H408	I358-Q404 HydrophobicContact CD1-CB 4.36Å; A401-Q404 HydrophobicContact CB-CB 4.37Å; A401-Q404 HydrophobicContact CB-CG 4.43Å; A401-Q404 WeakPolarHBondContact O-CB 3.35Å; A401-Q404 PolarHBondContact O-N 3.01Å; K402-Q404 PolarHBondContact O-N 3.29Å; Q404-L406 VanDerWaalsContact C-N 3.33Å; Q404-L406 PolarHBondContact O-N 3.04Å; Q404-K407 PolarHBondContact O-N 2.88Å; Q404-H408 WeakPolarHBondContact O-CB 3.34Å; Q404-H408 PolarHBondContact O-CD2 2.99Å; Q404-H408 PolarHBondContact O-N 3.46Å
405	F	93.3	Very high	88.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-45.2	172.1	-75.7	-69.6	0	0	0	111.6	F355 I358 V364 K365 I394 A401 K402 H408 V409	F355-F405 HydrophobicContact CD1-CD1 4.01Å; F355-F405 HydrophobicContact CD1-CE1 4.19Å; F355-F405 AromaticContact CE1-CD1 3.82Å; F355-F405 HydrophobicContact CE1-CD1 3.82Å; F355-F405 HydrophobicContact CE1-CE1 4.36Å; F355-F405 HydrophobicContact CG-CE1 4.32Å; F355-F405 HydrophobicContact CZ-CD1 4.2Å; I358-F405 HydrophobicContact CD1-CD1 3.72Å; I358-F405 HydrophobicContact CD1-CD2 4.43Å; I358-F405 HydrophobicContact CD1-CE1 3.66Å; I358-F405 HydrophobicContact CD1-CE2 4.39Å; I358-F405 HydrophobicContact CD1-CG 4.13Å; I358-F405 HydrophobicContact CD1-CZ 4.04Å; I358-F405 HydrophobicContact CG2-CE1 4.19Å; I358-F405 HydrophobicContact CG2-CE2 4.22Å; I358-F405 HydrophobicContact CG2-CZ 3.69Å; V364-F405 HydrophobicContact CG1-CE2 4.32Å; V364-F405 HydrophobicContact CG1-CZ 4.3Å; K365-F405 HydrophobicContact CG-CE1 3.91Å; K365-F405 HydrophobicContact CG-CZ 4.35Å; I394-F405 HydrophobicContact CD1-CB 4.26Å; I394-F405 HydrophobicContact CD1-CD2 4.37Å; I394-F405 HydrophobicContact CD1-CG 4.47Å; A401-F405 PolarHBondContact O-N 2.88Å; K402-F405 WeakPolarHBondContact O-CB 3.44Å; K402-F405 PolarHBondContact O-N 2.92Å; K402-F405 VanDerWaalsContact O-N 3.13Å; F405-H408 PolarHBondContact O-N 3.5Å; F405-V409 VanDerWaalsContact O-CG2 3.29Å; F405-V409 WeakPolarHBondContact O-CG2 3.48Å; F405-V409 PolarHBondContact O-N 3.3Å
406	L	94.3	Very high	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-46.7	179.4	-83.6	68.8	0	0	0	111.5	K402 Q404 H408 V409 E410 Y418 C458 D460 L500 A502	K402-L406 WeakPolarHBondContact O-CD1 3.15Å; K402-L406 PolarHBondContact O-N 3.42Å; Q404-L406 VanDerWaalsContact C-N 3.33Å; Q404-L406 PolarHBondContact O-N 3.04Å; L406-H408 PolarHBondContact O-N 3.39Å; L406-V409 PolarHBondContact O-N 3.5Å; L406-E410 WeakPolarHBondContact O-CB 3.32Å; L406-E410 PolarHBondContact O-N 3.16Å; L406-Y418 HydrophobicContact CB-CD2 4.11Å; L406-Y418 HydrophobicContact CB-CE2 3.99Å; L406-Y418 HydrophobicContact CD2-CD2 4.45Å; L406-Y418 HydrophobicContact CD2-CE2 4.1Å; L406-C458 HydrophobicContact CB-CB 4.14Å; L406-C458 HydrophobicContact CD2-CB 4.08Å; L406-C458 HydrophobicContact CG-CB 3.98Å; L406-D460 HydrophobicContact CD2-CB 4.02Å; L406-L500 HydrophobicContact CD1-CD2 4.02Å; L406-L500 HydrophobicContact CD1-CG 4.02Å; L406-L500 HydrophobicContact CG-CD2 4.07Å; L406-L500 HydrophobicContact CG-CG 4.18Å; L406-A502 HydrophobicContact CD1-CB 3.95Å; L406-A502 HydrophobicContact CD2-CB 4.08Å
407	K	92.3	Very high	88.3	Confident	96 Å²	96	50 Å²	50	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178	-72.9	174.7	-178.2	-179.4	0	112.7	S403 Q404 V409 E410 E411	S403-K407 VanDerWaalsContact O-CG 3.32Å; S403-K407 WeakPolarHBondContact O-CG 3.45Å; S403-K407 PolarHBondContact O-N 3.09Å; S403-K407 VanDerWaalsContact O-N 3.09Å; Q404-K407 PolarHBondContact O-N 2.88Å; K407-V409 VanDerWaalsContact C-N 3.34Å; K407-V409 PolarHBondContact O-N 3.33Å; K407-E410 PolarHBondContact O-N 3.03Å; K407-E411 PolarHBondContact O-N 3.04Å
408	H	91.2	Very high	88.4	Confident	45 Å²	45	53 Å²	53	21%	0.208	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-41.4	176.4	-82.2	-141.6	0	0	0	111.9	F355 T357 Q404 F405 L406 F412	F355-H408 HydrophobicContact CD1-CB 4.24Å; F355-H408 AromaticContact CD1-ND1 3.79Å; F355-H408 HydrophobicContact CE1-CB 3.92Å; T357-H408 PolarHBondContact OG1-CE1 3.16Å; Q404-H408 WeakPolarHBondContact O-CB 3.34Å; Q404-H408 PolarHBondContact O-CD2 2.99Å; Q404-H408 PolarHBondContact O-N 3.46Å; F405-H408 PolarHBondContact O-N 3.5Å; L406-H408 PolarHBondContact O-N 3.39Å; H408-F412 WeakPolarHBondContact O-CB 2.98Å; H408-F412 PolarHBondContact O-N 3.41Å
409	V	92.6	Very high	88.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-39.9	177.6	170.4	0	0	0	0	111.3	F355 V368 M371 L372 F405 L406 K407 F412 S413 V456 L500	F355-V409 HydrophobicContact CZ-CG2 4.41Å; V368-V409 HydrophobicContact CG1-CG2 3.55Å; M371-V409 HydrophobicContact CE-CG1 4.28Å; L372-V409 HydrophobicContact CD2-CG1 4.26Å; F405-V409 VanDerWaalsContact O-CG2 3.29Å; F405-V409 WeakPolarHBondContact O-CG2 3.48Å; F405-V409 PolarHBondContact O-N 3.3Å; L406-V409 PolarHBondContact O-N 3.5Å; K407-V409 VanDerWaalsContact C-N 3.34Å; K407-V409 PolarHBondContact O-N 3.33Å; V409-F412 PolarHBondContact O-N 3.38Å; V409-S413 VanDerWaalsContact O-CB 3.23Å; V409-S413 WeakPolarHBondContact O-CB 3.44Å; V409-S413 PolarHBondContact O-N 3.16Å; V409-V456 HydrophobicContact CG1-CB 4.44Å; V409-V456 HydrophobicContact CG1-CG1 4.08Å; V409-L500 HydrophobicContact CB-CD2 4.22Å; V409-L500 HydrophobicContact CG1-CD2 4.35Å; V409-L500 HydrophobicContact CG2-CD2 4.01Å
410	E	89.3	Confident	88.7	Confident	77 Å²	77	46.2 Å²	46.2	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-48	174.6	-175.7	-166.5	-170.1	0	0	111.9	L406 K407 Y418	L406-E410 WeakPolarHBondContact O-CB 3.32Å; L406-E410 PolarHBondContact O-N 3.16Å; K407-E410 PolarHBondContact O-N 3.03Å; E410-Y418 WeakPolarHBondContact OE1-CB 3.45Å; E410-Y418 WeakPolarHBondContact OE2-CB 3.27Å
411	E	86.5	Confident	88.5	Confident	154 Å²	154	45.3 Å²	45.3	72%	0.72	23%	0.231	S	C	*	.	H	α-helix	trans	-70.7	-34.8	180	-175.1	179.6	179.1	0	0	112.4	K407 R573	K407-E411 PolarHBondContact O-N 3.04Å; E411-R573 PolarHBondContact O-NH2 3.42Å
412	F	87.4	Confident	88.4	Confident	9 Å²	9	51.1 Å²	51.1	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-72.1	-46.5	179.6	175.9	-107	0	0	0	111.9	L354 L372 H408 V409 L569 I572 R573 L576	L354-F412 HydrophobicContact CD1-CB 4.21Å; L354-F412 HydrophobicContact CD1-CD1 3.93Å; L354-F412 HydrophobicContact CD1-CD2 3.52Å; L354-F412 HydrophobicContact CD1-CE1 4.19Å; L354-F412 HydrophobicContact CD1-CE2 3.79Å; L354-F412 HydrophobicContact CD1-CG 3.59Å; L354-F412 HydrophobicContact CD1-CZ 4.13Å; L372-F412 HydrophobicContact CD1-CD1 3.98Å; L372-F412 HydrophobicContact CD1-CE1 3.98Å; H408-F412 WeakPolarHBondContact O-CB 2.98Å; H408-F412 PolarHBondContact O-N 3.41Å; V409-F412 PolarHBondContact O-N 3.38Å; F412-L569 HydrophobicContact CD2-CD2 4.04Å; F412-L569 HydrophobicContact CE2-CD2 4.3Å; F412-I572 HydrophobicContact CE2-CB 4.22Å; F412-I572 HydrophobicContact CE2-CG2 4.09Å; F412-I572 HydrophobicContact CZ-CB 4.26Å; F412-I572 HydrophobicContact CZ-CG2 3.7Å; F412-R573 HydrophobicContact CD2-CG 4.2Å; F412-R573 HydrophobicContact CE2-CG 3.55Å; F412-R573 HydrophobicContact CZ-CG 3.82Å; F412-R573 PolarHBondContact O-NE 2.82Å; F412-L576 HydrophobicContact CE1-CD1 3.95Å; F412-L576 HydrophobicContact CZ-CD1 4.39Å
413	S	84.7	Confident	87.9	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.112	28%	0.281	C	S	.	.	S	Bend	trans	-87.4	129.9	-169.5	-178.1	0	0	0	0	112.7	V409 R415 A416	V409-S413 VanDerWaalsContact O-CB 3.23Å; V409-S413 WeakPolarHBondContact O-CB 3.44Å; V409-S413 PolarHBondContact O-N 3.16Å; S413-R415 VanDerWaalsContact C-N 3.32Å; S413-R415 PolarHBondContact O-N 3.4Å; S413-A416 PolarHBondContact O-N 2.98Å
414	P	73.1	Confident	87.3	Confident	65 Å²	65	53.9 Å²	53.9	42%	0.422	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.4	-172.9	19.2	-30.3	0	0	0	116.4	R309	R309-P414 VanDerWaalsContact CZ-CA 3.43Å; R309-P414 VanDerWaalsContact CZ-O 3.29Å; R309-P414 PolarHBondContact NH1-O 3.45Å; R309-P414 PolarHBondContact NH2-O 3.07Å
415	R	80.3	Confident	86.8	Confident	129 Å²	129	52.7 Å²	52.7	49%	0.487	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	44.9	-179.3	-73.7	-170.1	171.1	170.3	1.2	109.9	S413 G455 V456	S413-R415 VanDerWaalsContact C-N 3.32Å; S413-R415 PolarHBondContact O-N 3.4Å; R415-G455 WeakPolarHBondContact O-CA 3.42Å; R415-V456 PolarHBondContact O-N 2.67Å
416	A	87	Confident	86	Confident	18 Å²	18	54 Å²	54	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.9	173.5	0	0	0	0	0	111.5	S413 V456	S413-A416 PolarHBondContact O-N 2.98Å; A416-V456 WeakPolarHBondContact CA-O 3.43Å; A416-V456 HydrophobicContact CB-CB 4.32Å; A416-V456 WeakPolarHBondContact CB-O 3.38Å
417	V	88.9	Confident	85.3	Confident	37 Å²	37	56.1 Å²	56.1	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.9	177.1	-179.2	0	0	0	0	108	T419 A448 L451 A452 V456 C458	V417-T419 HydrophobicContact CG1-CG2 4.04Å; V417-A448 HydrophobicContact CG1-CB 4Å; V417-L451 HydrophobicContact CG2-CB 4.38Å; V417-A452 HydrophobicContact CB-CB 4.21Å; V417-A452 HydrophobicContact CG2-CB 3.87Å; V417-V456 PolarHBondContact N-O 3.29Å; V417-V456 VanDerWaalsContact N-O 3.12Å; V417-C458 PolarHBondContact O-N 2.64Å
418	Y	92	Very high	84.8	Confident	70 Å²	70	53.3 Å²	53.3	28%	0.275	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130	172.5	176.7	-93.2	0	0	0	110.9	L406 E410 C458 D460	L406-Y418 HydrophobicContact CB-CD2 4.11Å; L406-Y418 HydrophobicContact CB-CE2 3.99Å; L406-Y418 HydrophobicContact CD2-CD2 4.45Å; L406-Y418 HydrophobicContact CD2-CE2 4.1Å; E410-Y418 WeakPolarHBondContact OE1-CB 3.45Å; E410-Y418 WeakPolarHBondContact OE2-CB 3.27Å; Y418-C458 HydrophobicContact CD2-CB 4.1Å; Y418-D460 HydrophobicContact CE2-CB 4.03Å; Y418-D460 WeakPolarHBondContact OH-CB 3.38Å; Y418-D460 PolarHBondContact OH-OD2 2.96Å
419	T	90.4	Very high	84.4	Confident	18 Å²	18	51.1 Å²	51.1	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.7	176.3	59.4	0	0	0	0	110.7	V417 A448 C458 I459 D460	V417-T419 HydrophobicContact CG1-CG2 4.04Å; T419-A448 HydrophobicContact CG2-CB 3.53Å; T419-C458 PolarHBondContact N-O 3.24Å; T419-C458 PolarHBondContact OG1-O 3.46Å; T419-I459 WeakPolarHBondContact O-CA 3.49Å; T419-D460 PolarHBondContact O-N 3.11Å
420	S	90.7	Very high	84.1	Confident	29 Å²	29	51.7 Å²	51.7	20%	0.203	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.9	168.9	162	0	0	0	0	108.8	K422 A423 S424	S420-K422 PolarHBondContact O-N 3.21Å; S420-K422 PolarHBondContact OG-N 3.34Å; S420-A423 PolarHBondContact O-N 2.67Å; S420-S424 VanDerWaalsContact O-CB 3.24Å; S420-S424 WeakPolarHBondContact O-CB 3.3Å; S420-S424 PolarHBondContact O-N 3.32Å; S420-S424 PolarHBondContact O-OG 2.92Å
421	G	82.9	Confident	83.8	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.7	178.5	0	0	0	0	0	113.6	D460	G421-D460 PolarHBondContact N-O 3.37Å
422	K	84.6	Confident	83.7	Confident	163 Å²	163	41.9 Å²	41.9	71%	0.709	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-35	177.4	-171.9	175.1	-176	177.7	0	113.4	S420 S424	S420-K422 PolarHBondContact O-N 3.21Å; S420-K422 PolarHBondContact OG-N 3.34Å; K422-S424 VanDerWaalsContact C-N 3.32Å
423	A	80.9	Confident	83.6	Confident	89 Å²	89	43.1 Å²	43.1	74%	0.736	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.5	179.4	0	0	0	0	0	112.6	S420	S420-A423 PolarHBondContact O-N 2.67Å
424	S	79.1	Confident	83.6	Confident	23 Å²	23	44.8 Å²	44.8	16%	0.161	27%	0.273	C	S	.	.			trans	-95.2	140.3	-177.9	-53.5	0	0	0	0	110.7	S420 K422	S420-S424 VanDerWaalsContact O-CB 3.24Å; S420-S424 WeakPolarHBondContact O-CB 3.3Å; S420-S424 PolarHBondContact O-N 3.32Å; S420-S424 PolarHBondContact O-OG 2.92Å; K422-S424 VanDerWaalsContact C-N 3.32Å
425	S	81.1	Confident	84.3	Confident	65 Å²	65	48.4 Å²	48.4	46%	0.455	28%	0.278	S	S	.	.			trans	-105.6	163.3	168.7	59.5	0	0	0	0	109.7	A427 G428 L429 D469	S425-A427 PolarHBondContact O-N 2.92Å; S425-A427 VanDerWaalsContact O-N 3.1Å; S425-G428 CarbonylContact O-C 3.52Å; S425-G428 WeakPolarHBondContact O-CA 3.06Å; S425-G428 PolarHBondContact O-N 3.42Å; S425-G428 PolarHBondContact OG-N 2.88Å; S425-L429 PolarHBondContact O-N 3.18Å; S425-D469 VanDerWaalsContact CA-OD2 3.31Å; S425-D469 WeakPolarHBondContact CA-OD2 3.42Å
426	A	77.8	Confident	84.3	Confident	27 Å²	27	43.5 Å²	43.5	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-49.3	-40.9	173.5	0	0	0	0	0	112.1	L429 T430 D469	A426-L429 PolarHBondContact O-N 2.95Å; A426-T430 WeakPolarHBondContact O-CB 3.42Å; A426-T430 PolarHBondContact O-N 2.86Å; A426-T430 PolarHBondContact O-OG1 2.74Å; A426-D469 WeakPolarHBondContact CA-OD1 3.47Å; A426-D469 HydrophobicContact CB-CB 4.3Å; A426-D469 WeakPolarHBondContact CB-OD1 3.4Å; A426-D469 PolarHBondContact N-OD1 3.25Å; A426-D469 PolarHBondContact N-OD2 3.43Å
427	A	78.2	Confident	83.8	Confident	45 Å²	45	49.6 Å²	49.6	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-38.3	178.8	0	0	0	0	0	112.2	S425 A431 A432	S425-A427 PolarHBondContact O-N 2.92Å; S425-A427 VanDerWaalsContact O-N 3.1Å; A427-A431 CarbonylContact O-C 3.59Å; A427-A432 HydrophobicContact CB-CB 3.98Å
428	G	82.2	Confident	83.2	Confident	37 Å²	37	52.6 Å²	52.6	38%	0.381	30%	0.299	S	S	.	.	H	α-helix	trans	-73.7	-27.9	176.2	0	0	0	0	0	114.1	S425 G447 A448	S425-G428 CarbonylContact O-C 3.52Å; S425-G428 WeakPolarHBondContact O-CA 3.06Å; S425-G428 PolarHBondContact O-N 3.42Å; S425-G428 PolarHBondContact OG-N 2.88Å; G428-G447 CarbonylContact O-C 3.55Å; G428-G447 WeakPolarHBondContact O-CA 3.47Å; G428-A448 PolarHBondContact O-N 3.39Å
429	L	83.5	Confident	82.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-82.7	-43.9	177.3	-76.1	160.8	0	0	0	112.8	S425 A426 A448 L449 M465 D469 I473	S425-L429 PolarHBondContact O-N 3.18Å; A426-L429 PolarHBondContact O-N 2.95Å; L429-A448 PolarHBondContact O-N 2.98Å; L429-L449 HydrophobicContact CB-CD1 4.5Å; L429-L449 VanDerWaalsContact O-CB 3.24Å; L429-L449 WeakPolarHBondContact O-CB 3.33Å; L429-L449 WeakPolarHBondContact O-CG 3.32Å; L429-L449 PolarHBondContact O-N 2.81Å; L429-M465 HydrophobicContact CD1-CE 3.34Å; L429-M465 HydrophobicContact CD1-SD 4.38Å; L429-D469 HydrophobicContact CD1-CB 4.43Å; L429-I473 HydrophobicContact CD1-CD1 4.05Å
430	T	84.7	Confident	82	Confident	12 Å²	12	56.3 Å²	56.3	7%	0.074	32%	0.324	C	S	.	.	S	Bend	trans	-96.2	-97.2	-172.5	58.9	0	0	0	0	111.8	A426 G447 L449 A472 I482	A426-T430 WeakPolarHBondContact O-CB 3.42Å; A426-T430 PolarHBondContact O-N 2.86Å; A426-T430 PolarHBondContact O-OG1 2.74Å; T430-G447 WeakPolarHBondContact O-CA 3.39Å; T430-G447 PolarHBondContact O-N 3.39Å; T430-L449 HydrophobicContact CG2-CD1 4.45Å; T430-A472 HydrophobicContact CG2-CB 3.75Å; T430-I482 HydrophobicContact CG2-CD1 3.88Å; T430-I482 HydrophobicContact CG2-CG2 4.47Å
431	A	82.9	Confident	81.6	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.033	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.6	166.9	0	0	0	0	0	109.3	A427 I444 E445 M450 I484 L493	A427-A431 CarbonylContact O-C 3.59Å; A431-I444 HydrophobicContact CB-CG2 3.75Å; A431-E445 CarbonylContact C-O 3.58Å; A431-E445 VanDerWaalsContact CA-O 3.25Å; A431-E445 WeakPolarHBondContact CA-O 3.24Å; A431-E445 WeakPolarHBondContact CB-O 3.47Å; A431-M450 HydrophobicContact CB-SD 3.53Å; A431-M450 VanDerWaalsContact CB-SD 3.53Å; A431-I484 HydrophobicContact CB-CD1 3.28Å; A431-L493 HydrophobicContact CB-CD1 3.86Å
432	A	84.4	Confident	81.6	Confident	21 Å²	21	65.3 Å²	65.3	17%	0.174	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.8	177.3	0	0	0	0	0	109.7	A427 V434 I444 E445	A427-A432 HydrophobicContact CB-CB 3.98Å; A432-V434 HydrophobicContact CB-CG2 4.15Å; A432-I444 CarbonylContact O-C 3.57Å; A432-I444 WeakPolarHBondContact O-CA 3.41Å; A432-E445 HydrophobicContact CB-CB 4.44Å; A432-E445 PolarHBondContact N-O 3.15Å; A432-E445 PolarHBondContact O-N 3.41Å
433	V	85.4	Confident	81.6	Confident	36 Å²	36	60.3 Å²	60.3	22%	0.218	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.3	167.6	-178.6	0	0	0	0	107	F442 V443 I444 I484 K486 A487	V433-F442 HydrophobicContact CG1-CB 3.77Å; V433-F442 HydrophobicContact CG1-CD1 4.09Å; V433-F442 HydrophobicContact CG1-CG 4.3Å; V433-V443 CarbonylContact C-O 3.59Å; V433-V443 WeakPolarHBondContact CA-O 3.41Å; V433-I444 HydrophobicContact CG2-CG1 4.4Å; V433-I484 HydrophobicContact CG2-CG2 3.88Å; V433-K486 HydrophobicContact CG2-CB 4.07Å; V433-A487 HydrophobicContact CG1-CB 4.12Å
434	V	85.9	Confident	81.7	Confident	50 Å²	50	58.8 Å²	58.8	30%	0.303	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.7	-177.3	-177.8	0	0	0	0	108.3	A432 D436 V443 E445	A432-V434 HydrophobicContact CB-CG2 4.15Å; V434-D436 PolarHBondContact O-N 3.41Å; V434-V443 PolarHBondContact N-O 3.25Å; V434-V443 WeakPolarHBondContact O-CG2 3.45Å; V434-V443 PolarHBondContact O-N 3.42Å; V434-E445 HydrophobicContact CB-CG 4.33Å; V434-E445 HydrophobicContact CG2-CB 4.5Å; V434-E445 HydrophobicContact CG2-CG 4.04Å
435	R	86.4	Confident	81.8	Confident	141 Å²	141	61 Å²	61	53%	0.532	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.3	171.7	-169.1	177	-175.2	-167.9	-3.4	108.3	H440 F442	R435-H440 PolarHBondContact NE-O 2.94Å; R435-F442 HydrophobicContact CB-CD1 3.98Å; R435-F442 HydrophobicContact CB-CE1 3.87Å; R435-F442 HydrophobicContact CG-CD1 4.43Å; R435-F442 HydrophobicContact CG-CE1 4.27Å
436	D	81.4	Confident	81.8	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.144	33%	0.327	C	S	.	.			trans	-73.8	135.6	174.2	177.8	41.3	0	0	0	110	V434 S439 H440 E441 V443	V434-D436 PolarHBondContact O-N 3.41Å; D436-S439 WeakPolarHBondContact CB-OG 3.46Å; D436-S439 WeakPolarHBondContact OD2-CB 3.4Å; D436-S439 PolarHBondContact OD2-N 3.16Å; D436-S439 PolarHBondContact OD2-OG 3.15Å; D436-H440 WeakPolarHBondContact O-CA 3.42Å; D436-H440 PolarHBondContact O-N 3.48Å; D436-E441 PolarHBondContact N-O 3.26Å; D436-V443 HydrophobicContact CB-CG1 4.23Å; D436-V443 HydrophobicContact CB-CG2 4.09Å
437	E	77.3	Confident	82.2	Confident	146 Å²	146	59 Å²	59	68%	0.682	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-25.3	-176.3	-167.5	63.2	-161.2	0	0	111.3	H440	E437-H440 PolarHBondContact O-CE1 2.92Å
438	E	75.6	Confident	82.6	Confident	100 Å²	100	57.3 Å²	57.3	47%	0.467	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-44.8	-178.7	-62.1	-173.2	-175.2	0	0	112.3	H145 K205 R207	H145-E438 IonicContact NE2-OE2 2.7Å; H145-E438 PolarHBondContact NE2-OE2 3.41Å; K205-E438 IonicContact NZ-OE1 3.75Å; K205-E438 IonicContact NZ-OE2 2.65Å; K205-E438 PolarHBondContact NZ-OE2 3.16Å; R207-E438 IonicContact NH2-OE1 3.31Å
439	S	75.3	Confident	82.9	Confident	60 Å²	60	55.6 Å²	55.6	42%	0.42	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-14.3	178.4	60.5	0	0	0	0	114	D436 E441	D436-S439 WeakPolarHBondContact CB-OG 3.46Å; D436-S439 WeakPolarHBondContact OD2-CB 3.4Å; D436-S439 PolarHBondContact OD2-N 3.16Å; D436-S439 PolarHBondContact OD2-OG 3.15Å; S439-E441 PolarHBondContact O-N 3.28Å
440	H	81.1	Confident	83	Confident	106 Å²	106	57.3 Å²	57.3	49%	0.491	30%	0.295	S	S	.	.			trans	58.6	5.2	-170.6	-68.1	-48.9	0	0	0	115.7	R435 D436 E437	R435-H440 PolarHBondContact NE-O 2.94Å; D436-H440 WeakPolarHBondContact O-CA 3.42Å; D436-H440 PolarHBondContact O-N 3.48Å; E437-H440 PolarHBondContact O-CE1 2.92Å
441	E	82.6	Confident	83	Confident	130 Å²	130	60.8 Å²	60.8	61%	0.607	31%	0.313	S	S	*	.	S	Bend	trans	-89.2	157.1	178.8	-72.4	-64	161	0	0	111.8	D436 S439 V443	D436-E441 PolarHBondContact N-O 3.26Å; S439-E441 PolarHBondContact O-N 3.28Å; E441-V443 PolarHBondContact O-N 2.98Å
442	F	83.3	Confident	83.1	Confident	90 Å²	90	60.6 Å²	60.6	40%	0.395	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113	173.7	-70.2	-75.6	0	0	0	110	V433 R435 A487 V489	V433-F442 HydrophobicContact CG1-CB 3.77Å; V433-F442 HydrophobicContact CG1-CD1 4.09Å; V433-F442 HydrophobicContact CG1-CG 4.3Å; R435-F442 HydrophobicContact CB-CD1 3.98Å; R435-F442 HydrophobicContact CB-CE1 3.87Å; R435-F442 HydrophobicContact CG-CD1 4.43Å; R435-F442 HydrophobicContact CG-CE1 4.27Å; F442-A487 HydrophobicContact CB-CB 4.3Å; F442-A487 HydrophobicContact CD1-CB 3.77Å; F442-A487 HydrophobicContact CD2-CB 3.87Å; F442-A487 HydrophobicContact CE1-CB 3.97Å; F442-A487 HydrophobicContact CE2-CB 4.08Å; F442-A487 HydrophobicContact CG-CB 3.71Å; F442-A487 HydrophobicContact CZ-CB 4.13Å; F442-V489 HydrophobicContact CB-CG2 4.18Å
443	V	83.7	Confident	83.2	Confident	58 Å²	58	61.2 Å²	61.2	35%	0.352	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	151.4	177.4	-62.3	0	0	0	0	110.7	V433 V434 D436 E441	V433-V443 CarbonylContact C-O 3.59Å; V433-V443 WeakPolarHBondContact CA-O 3.41Å; V434-V443 PolarHBondContact N-O 3.25Å; V434-V443 WeakPolarHBondContact O-CG2 3.45Å; V434-V443 PolarHBondContact O-N 3.42Å; D436-V443 HydrophobicContact CB-CG1 4.23Å; D436-V443 HydrophobicContact CB-CG2 4.09Å; E441-V443 PolarHBondContact O-N 2.98Å
444	I	83.4	Confident	83.2	Confident	57 Å²	57	62.5 Å²	62.5	29%	0.292	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.6	174.1	-59.3	171.5	0	0	0	108.3	A431 A432 V433 V489 A491 L493	A431-I444 HydrophobicContact CB-CG2 3.75Å; A432-I444 CarbonylContact O-C 3.57Å; A432-I444 WeakPolarHBondContact O-CA 3.41Å; V433-I444 HydrophobicContact CG2-CG1 4.4Å; I444-V489 HydrophobicContact CD1-CG1 3.69Å; I444-V489 HydrophobicContact CG1-CG1 4.05Å; I444-A491 HydrophobicContact CD1-CB 3.56Å; I444-L493 HydrophobicContact CD1-CD1 4.49Å; I444-L493 HydrophobicContact CG2-CD1 3.92Å
445	E	81.9	Confident	83.4	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.7	166.1	-68.9	-168.5	155.9	0	0	109.2	R143 A431 A432 V434	R143-E445 IonicContact CZ-OE1 2.98Å; R143-E445 IonicContact NE-OE1 3.71Å; R143-E445 PolarHBondContact NE-OE1 2.98Å; R143-E445 IonicContact NH2-OE1 3.44Å; R143-E445 PolarHBondContact NH2-OE1 3.24Å; A431-E445 CarbonylContact C-O 3.58Å; A431-E445 VanDerWaalsContact CA-O 3.25Å; A431-E445 WeakPolarHBondContact CA-O 3.24Å; A431-E445 WeakPolarHBondContact CB-O 3.47Å; A432-E445 HydrophobicContact CB-CB 4.44Å; A432-E445 PolarHBondContact N-O 3.15Å; A432-E445 PolarHBondContact O-N 3.41Å; V434-E445 HydrophobicContact CB-CG 4.33Å; V434-E445 HydrophobicContact CG2-CB 4.5Å; V434-E445 HydrophobicContact CG2-CG 4.04Å
446	A	81.9	Confident	83.7	Confident	47 Å²	47	54.2 Å²	54.2	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.9	177.9	0	0	0	0	0	110.9	M450 L451	A446-M450 HydrophobicContact CB-CB 3.97Å; A446-M450 HydrophobicContact CB-CE 3.96Å; A446-M450 HydrophobicContact CB-SD 4.24Å; A446-L451 HydrophobicContact CB-CD2 4.27Å; A446-L451 HydrophobicContact CB-CG 4.44Å
447	G	86.1	Confident	84.2	Confident	5 Å²	5	52.9 Å²	52.9	5%	0.052	28%	0.277	C	S	.	.			trans	-87.9	-178.6	172.8	0	0	0	0	0	112.9	G428 T430 L449 M450 L451	G428-G447 CarbonylContact O-C 3.55Å; G428-G447 WeakPolarHBondContact O-CA 3.47Å; T430-G447 WeakPolarHBondContact O-CA 3.39Å; T430-G447 PolarHBondContact O-N 3.39Å; G447-L449 VanDerWaalsContact C-N 3.33Å; G447-L449 PolarHBondContact O-N 3.07Å; G447-M450 PolarHBondContact O-N 3.07Å; G447-M450 VanDerWaalsContact O-N 3.09Å; G447-L451 WeakPolarHBondContact O-CG 3.42Å; G447-L451 PolarHBondContact O-N 3.47Å
448	A	86.1	Confident	85.1	Confident	9 Å²	9	46 Å²	46	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-39.8	-174.1	0	0	0	0	0	114	V417 T419 G428 L429 M450 L451 A452	V417-A448 HydrophobicContact CG1-CB 4Å; T419-A448 HydrophobicContact CG2-CB 3.53Å; G428-A448 PolarHBondContact O-N 3.39Å; L429-A448 PolarHBondContact O-N 2.98Å; A448-M450 VanDerWaalsContact C-N 3.32Å; A448-M450 PolarHBondContact O-N 2.84Å; A448-L451 PolarHBondContact O-N 3.18Å; A448-A452 WeakPolarHBondContact O-CB 3.5Å; A448-A452 PolarHBondContact O-N 3.04Å; A448-A452 VanDerWaalsContact O-N 3.15Å
449	L	88.1	Confident	86	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-34.4	178.8	-71.4	168	0	0	0	112.2	L429 T430 G447 C457 I473 A476 T497 I499	L429-L449 HydrophobicContact CB-CD1 4.5Å; L429-L449 VanDerWaalsContact O-CB 3.24Å; L429-L449 WeakPolarHBondContact O-CB 3.33Å; L429-L449 WeakPolarHBondContact O-CG 3.32Å; L429-L449 PolarHBondContact O-N 2.81Å; T430-L449 HydrophobicContact CG2-CD1 4.45Å; G447-L449 VanDerWaalsContact C-N 3.33Å; G447-L449 PolarHBondContact O-N 3.07Å; L449-C457 HydrophobicContact CD2-CB 3.74Å; L449-I473 HydrophobicContact CD1-CG1 4.26Å; L449-A476 HydrophobicContact CD1-CB 4.32Å; L449-T497 WeakPolarHBondContact O-CG2 3.33Å; L449-I499 HydrophobicContact CD2-CD1 4.32Å
450	M	85.4	Confident	86.8	Confident	36 Å²	36	39.1 Å²	39.1	18%	0.177	21%	0.207	C	C	.	.	H	α-helix	trans	-75.9	-38.9	178.3	-70.6	-177.5	57.9	0	0	111.8	A431 A446 G447 A448 A452 D453 L493	A431-M450 HydrophobicContact CB-SD 3.53Å; A431-M450 VanDerWaalsContact CB-SD 3.53Å; A446-M450 HydrophobicContact CB-CB 3.97Å; A446-M450 HydrophobicContact CB-CE 3.96Å; A446-M450 HydrophobicContact CB-SD 4.24Å; G447-M450 PolarHBondContact O-N 3.07Å; G447-M450 VanDerWaalsContact O-N 3.09Å; A448-M450 VanDerWaalsContact C-N 3.32Å; A448-M450 PolarHBondContact O-N 2.84Å; M450-A452 PolarHBondContact O-N 3.36Å; M450-D453 PolarHBondContact O-N 3.23Å; M450-L493 HydrophobicContact CE-CB 3.77Å; M450-L493 HydrophobicContact CE-CD1 3.62Å; M450-L493 HydrophobicContact CE-CD2 3.88Å; M450-L493 HydrophobicContact CE-CG 3.92Å; M450-L493 HydrophobicContact SD-CB 3.95Å; M450-L493 HydrophobicContact SD-CD1 3.5Å; M450-L493 WeakPolarHBondContact SD-CD1 3.5Å; M450-L493 HydrophobicContact SD-CG 4.22Å
451	L	84.1	Confident	87.3	Confident	84 Å²	84	37.4 Å²	37.4	44%	0.44	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-25.4	175.9	-66.4	172.5	0	0	0	112.2	V417 A446 G447 A448	V417-L451 HydrophobicContact CG2-CB 4.38Å; A446-L451 HydrophobicContact CB-CD2 4.27Å; A446-L451 HydrophobicContact CB-CG 4.44Å; G447-L451 WeakPolarHBondContact O-CG 3.42Å; G447-L451 PolarHBondContact O-N 3.47Å; A448-L451 PolarHBondContact O-N 3.18Å
452	A	86.6	Confident	87.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	13.2	178.4	0	0	0	0	0	114.4	V417 A448 M450 N454 G455 C457 T497	V417-A452 HydrophobicContact CB-CB 4.21Å; V417-A452 HydrophobicContact CG2-CB 3.87Å; A448-A452 WeakPolarHBondContact O-CB 3.5Å; A448-A452 PolarHBondContact O-N 3.04Å; A448-A452 VanDerWaalsContact O-N 3.15Å; M450-A452 PolarHBondContact O-N 3.36Å; A452-N454 PolarHBondContact O-N 3.25Å; A452-G455 CarbonylContact O-C 3.54Å; A452-G455 VanDerWaalsContact O-CA 3.3Å; A452-G455 WeakPolarHBondContact O-CA 3.48Å; A452-G455 PolarHBondContact O-N 2.66Å; A452-C457 HydrophobicContact CB-CB 4.37Å; A452-T497 HydrophobicContact CB-CG2 3.99Å; A452-T497 WeakPolarHBondContact O-CG2 3.42Å
453	D	86.7	Confident	88.1	Confident	34 Å²	34	27.2 Å²	27.2	18%	0.182	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	135.2	-176.6	-164.8	44	0	0	0	112.8	M450 G455 R496	M450-D453 PolarHBondContact O-N 3.23Å; D453-G455 PolarHBondContact O-N 3.41Å; D453-R496 WeakPolarHBondContact OD1-CA 3.45Å; D453-R496 VanDerWaalsContact OD1-CB 3.26Å; D453-R496 WeakPolarHBondContact OD1-CB 3.19Å; D453-R496 PolarHBondContact OD1-N 2.93Å; D453-R496 IonicContact OD1-NE 2.81Å; D453-R496 PolarHBondContact OD1-NE 3.42Å; D453-R496 IonicContact OD2-CZ 3.86Å; D453-R496 IonicContact OD2-NE 2.61Å; D453-R496 PolarHBondContact OD2-NE 3.4Å; D453-R496 IonicContact OD2-NH2 3.29Å; D453-R496 PolarHBondContact OD2-NH2 2.8Å
454	N	85	Confident	88.3	Confident	64 Å²	64	29.7 Å²	29.7	34%	0.342	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	11.1	-170.2	-68.1	-28.1	0	0	0	116.2	A452 R496 R580	A452-N454 PolarHBondContact O-N 3.25Å; N454-R496 VanDerWaalsContact CA-O 3.25Å; N454-R496 WeakPolarHBondContact CA-O 3.38Å; N454-R496 PolarHBondContact N-O 2.83Å; N454-R496 PolarHBondContact OD1-NE 2.89Å; N454-R580 PolarHBondContact O-NH2 2.84Å
455	G	89.1	Confident	88.6	Confident	9 Å²	9	27.4 Å²	27.4	9%	0.093	15%	0.147	C	C	.	.	S	Bend	trans	-118.4	-145.6	177.8	0	0	0	0	0	113.1	R415 A452 D453 S498	R415-G455 WeakPolarHBondContact O-CA 3.42Å; A452-G455 CarbonylContact O-C 3.54Å; A452-G455 VanDerWaalsContact O-CA 3.3Å; A452-G455 WeakPolarHBondContact O-CA 3.48Å; A452-G455 PolarHBondContact O-N 2.66Å; D453-G455 PolarHBondContact O-N 3.41Å; G455-S498 PolarHBondContact O-N 2.95Å
456	V	92.5	Very high	88.9	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.7	-174.6	-176.4	0	0	0	0	110.1	M371 L372 V409 R415 A416 V417 S498 L500	M371-V456 HydrophobicContact CE-CG1 3.68Å; M371-V456 HydrophobicContact CE-CG2 4.17Å; M371-V456 HydrophobicContact SD-CG1 4.43Å; L372-V456 HydrophobicContact CD2-CG2 4.11Å; V409-V456 HydrophobicContact CG1-CB 4.44Å; V409-V456 HydrophobicContact CG1-CG1 4.08Å; R415-V456 PolarHBondContact O-N 2.67Å; A416-V456 WeakPolarHBondContact CA-O 3.43Å; A416-V456 HydrophobicContact CB-CB 4.32Å; A416-V456 WeakPolarHBondContact CB-O 3.38Å; V417-V456 PolarHBondContact N-O 3.29Å; V417-V456 VanDerWaalsContact N-O 3.12Å; V456-S498 CarbonylContact C-O 3.54Å; V456-S498 WeakPolarHBondContact CA-O 3.43Å; V456-L500 HydrophobicContact CG1-CB 4.17Å
457	C	93.5	Very high	89	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.1	170.1	-171.9	0	0	0	0	109.2	L449 A452 S498 I499 L500	L449-C457 HydrophobicContact CD2-CB 3.74Å; A452-C457 HydrophobicContact CB-CB 4.37Å; C457-S498 PolarHBondContact N-O 3.48Å; C457-I499 WeakPolarHBondContact O-CA 3.23Å; C457-L500 PolarHBondContact O-N 3.23Å
458	C	95	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.4	176.7	-63.1	0	0	0	0	109.1	L406 V417 Y418 T419 L500	L406-C458 HydrophobicContact CB-CB 4.14Å; L406-C458 HydrophobicContact CD2-CB 4.08Å; L406-C458 HydrophobicContact CG-CB 3.98Å; V417-C458 PolarHBondContact O-N 2.64Å; Y418-C458 HydrophobicContact CD2-CB 4.1Å; T419-C458 PolarHBondContact N-O 3.24Å; T419-C458 PolarHBondContact OG1-O 3.46Å; C458-L500 WeakPolarHBondContact CA-O 3.16Å
459	I	93.9	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.4	-179.3	-50.2	176	0	0	0	109.3	T419 F462 M465 I473 I499 L500 A501 A502	T419-I459 WeakPolarHBondContact O-CA 3.49Å; I459-F462 HydrophobicContact CB-CD2 4.39Å; I459-F462 HydrophobicContact CD1-CD2 4.43Å; I459-F462 HydrophobicContact CD1-CE2 4.44Å; I459-F462 HydrophobicContact CG2-CD2 3.93Å; I459-M465 HydrophobicContact CG2-SD 4.2Å; I459-I473 HydrophobicContact CD1-CD1 3.98Å; I459-I499 HydrophobicContact CD1-CG2 4.06Å; I459-I499 HydrophobicContact CG1-CG2 4.48Å; I459-L500 PolarHBondContact N-O 2.76Å; I459-A501 CarbonylContact O-C 3.57Å; I459-A501 WeakPolarHBondContact O-CA 3.36Å; I459-A502 PolarHBondContact O-N 2.97Å
460	D	93.8	Very high	88.6	Confident	17 Å²	17	43.5 Å²	43.5	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154.5	172.6	-155.8	-2.6	0	0	0	111.2	S403 L406 Y418 T419 G421 F462 A502	S403-D460 WeakPolarHBondContact CB-OD2 3.44Å; S403-D460 PolarHBondContact OG-OD2 3.37Å; L406-D460 HydrophobicContact CD2-CB 4.02Å; Y418-D460 HydrophobicContact CE2-CB 4.03Å; Y418-D460 WeakPolarHBondContact OH-CB 3.38Å; Y418-D460 PolarHBondContact OH-OD2 2.96Å; T419-D460 PolarHBondContact O-N 3.11Å; G421-D460 PolarHBondContact N-O 3.37Å; D460-F462 VanDerWaalsContact C-N 3.29Å; D460-F462 PolarHBondContact O-N 3.49Å; D460-A502 WeakPolarHBondContact OD1-CB 3.34Å
461	E	91.6	Very high	88.6	Confident	69 Å²	69	46.3 Å²	46.3	32%	0.322	23%	0.232	S	C	.	.	S	Bend	trans	51.5	45	-176.6	-56.1	-174.9	145.5	0	0	113.2	D463 K464 A502	E461-D463 PolarHBondContact O-N 3Å; E461-D463 VanDerWaalsContact O-N 3.14Å; E461-K464 HydrophobicContact CB-CB 4.27Å; E461-K464 HydrophobicContact CB-CG 4.15Å; E461-K464 PolarHBondContact O-N 3.37Å; E461-A502 PolarHBondContact N-O 2.86Å
462	F	91.8	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.2	-28.1	-176.9	-173	-112.4	0	0	0	113	I459 D460 K464 M465 I473 A501 A502 L522 I526 F530	I459-F462 HydrophobicContact CB-CD2 4.39Å; I459-F462 HydrophobicContact CD1-CD2 4.43Å; I459-F462 HydrophobicContact CD1-CE2 4.44Å; I459-F462 HydrophobicContact CG2-CD2 3.93Å; D460-F462 VanDerWaalsContact C-N 3.29Å; D460-F462 PolarHBondContact O-N 3.49Å; F462-K464 VanDerWaalsContact C-N 3.27Å; F462-K464 PolarHBondContact O-N 3.09Å; F462-M465 HydrophobicContact CD2-SD 3.62Å; F462-M465 HydrophobicContact CE2-SD 3.78Å; F462-M465 PolarHBondContact O-N 3.21Å; F462-I473 HydrophobicContact CE2-CD1 4.05Å; F462-A501 HydrophobicContact CB-CB 4.16Å; F462-A501 HydrophobicContact CD1-CB 4.31Å; F462-A501 HydrophobicContact CD2-CB 4.44Å; F462-A501 HydrophobicContact CG-CB 4.06Å; F462-A502 WeakPolarHBondContact CB-O 3.41Å; F462-A502 PolarHBondContact N-O 2.95Å; F462-L522 HydrophobicContact CD1-CD1 3.98Å; F462-L522 HydrophobicContact CD1-CD2 3.56Å; F462-L522 HydrophobicContact CD1-CG 4.43Å; F462-L522 HydrophobicContact CE1-CD1 4.08Å; F462-L522 HydrophobicContact CE1-CD2 3.55Å; F462-L522 HydrophobicContact CE1-CG 4.46Å; F462-I526 HydrophobicContact CE1-CG2 3.79Å; F462-I526 HydrophobicContact CZ-CG2 3.89Å; F462-F530 AromaticContact CE1-CE2 3.96Å; F462-F530 HydrophobicContact CE1-CE2 3.96Å; F462-F530 HydrophobicContact CE1-CZ 4.2Å; F462-F530 HydrophobicContact CZ-CE2 4.29Å; F462-F530 HydrophobicContact CZ-CZ 4.35Å
463	D	89.9	Confident	88.7	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.3	-18.1	176.3	67	-71.5	0	0	0	114	E461 A503 N504	E461-D463 PolarHBondContact O-N 3Å; E461-D463 VanDerWaalsContact O-N 3.14Å; D463-A503 HydrophobicContact CB-CB 4.41Å; D463-N504 PolarHBondContact OD1-N 2.96Å; D463-N504 VanDerWaalsContact OD1-N 3.13Å
464	K	88.6	Confident	88.7	Confident	110 Å²	110	44.2 Å²	44.2	48%	0.478	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-92.2	2.4	-179.7	-58.5	-55.1	-175.3	-130.4	0	113.6	E461 F462	E461-K464 HydrophobicContact CB-CB 4.27Å; E461-K464 HydrophobicContact CB-CG 4.15Å; E461-K464 PolarHBondContact O-N 3.37Å; F462-K464 VanDerWaalsContact C-N 3.27Å; F462-K464 PolarHBondContact O-N 3.09Å
465	M	88.2	Confident	88.8	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.039	22%	0.219	C	C	.	.	S	Bend	trans	-71.6	142.6	176.7	-73.4	-168.2	57.9	0	0	112.7	L429 I459 F462 D469 Q470 I473	L429-M465 HydrophobicContact CD1-CE 3.34Å; L429-M465 HydrophobicContact CD1-SD 4.38Å; I459-M465 HydrophobicContact CG2-SD 4.2Å; F462-M465 HydrophobicContact CD2-SD 3.62Å; F462-M465 HydrophobicContact CE2-SD 3.78Å; F462-M465 PolarHBondContact O-N 3.21Å; M465-D469 HydrophobicContact CE-CB 3.49Å; M465-D469 VanDerWaalsContact CE-CB 3.49Å; M465-Q470 HydrophobicContact CB-CG 4.16Å; M465-Q470 PolarHBondContact O-NE2 2.91Å; M465-Q470 VanDerWaalsContact O-NE2 3.15Å; M465-I473 HydrophobicContact CE-CD1 3.49Å; M465-I473 VanDerWaalsContact CE-CD1 3.49Å; M465-I473 HydrophobicContact CE-CG1 4.43Å; M465-I473 HydrophobicContact SD-CD1 3.86Å
466	D	88.4	Confident	88.8	Confident	117 Å²	117	43.6 Å²	43.6	63%	0.626	22%	0.216	S	C	*	.			trans	-63.9	145.8	172.5	-76	-28.6	0	0	0	111.9	R468 D469 Q470	D466-R468 PolarHBondContact O-N 3.13Å; D466-R468 VanDerWaalsContact O-N 3.14Å; D466-D469 PolarHBondContact O-N 2.89Å; D466-Q470 PolarHBondContact O-N 3.24Å; D466-Q470 VanDerWaalsContact O-N 3.1Å
467	V	85.1	Confident	88.6	Confident	107 Å²	107	43.7 Å²	43.7	65%	0.648	22%	0.216	S	C	*	.	H	α-helix	trans	-59.6	-30.3	-178.1	-179.4	0	0	0	0	112.3	D469 Q470 V471	V467-D469 VanDerWaalsContact C-N 3.34Å; V467-Q470 WeakPolarHBondContact O-CB 3.39Å; V467-Q470 PolarHBondContact O-N 2.89Å; V467-V471 WeakPolarHBondContact O-CG2 3.42Å; V467-V471 PolarHBondContact O-N 2.97Å
468	R	82.7	Confident	88.1	Confident	216 Å²	216	47.6 Å²	47.6	82%	0.815	23%	0.234	S	C	*	.	H	α-helix	trans	-65.8	-38.7	177.2	-64.1	-175.7	69	-176.5	2.2	112.1	D466 V471 A472	D466-R468 PolarHBondContact O-N 3.13Å; D466-R468 VanDerWaalsContact O-N 3.14Å; R468-V471 PolarHBondContact O-N 2.9Å; R468-A472 PolarHBondContact O-N 2.86Å
469	D	84.6	Confident	87.6	Confident	14 Å²	14	53.3 Å²	53.3	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-75.5	-35.7	-178	-61.3	3.5	0	0	0	109.9	S425 A426 L429 M465 D466 V467 V471 A472 I473	S425-D469 VanDerWaalsContact CA-OD2 3.31Å; S425-D469 WeakPolarHBondContact CA-OD2 3.42Å; A426-D469 WeakPolarHBondContact CA-OD1 3.47Å; A426-D469 HydrophobicContact CB-CB 4.3Å; A426-D469 WeakPolarHBondContact CB-OD1 3.4Å; A426-D469 PolarHBondContact N-OD1 3.25Å; A426-D469 PolarHBondContact N-OD2 3.43Å; L429-D469 HydrophobicContact CD1-CB 4.43Å; M465-D469 HydrophobicContact CE-CB 3.49Å; M465-D469 VanDerWaalsContact CE-CB 3.49Å; D466-D469 PolarHBondContact O-N 2.89Å; V467-D469 VanDerWaalsContact C-N 3.34Å; D469-V471 VanDerWaalsContact C-N 3.31Å; D469-V471 PolarHBondContact O-N 2.98Å; D469-A472 PolarHBondContact O-N 2.89Å; D469-I473 PolarHBondContact O-N 3.19Å
470	Q	84.8	Confident	87.4	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.065	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-37.7	171.5	-70.6	-174.8	16.3	0	0	113	M465 D466 V467 H474 I526	M465-Q470 HydrophobicContact CB-CG 4.16Å; M465-Q470 PolarHBondContact O-NE2 2.91Å; M465-Q470 VanDerWaalsContact O-NE2 3.15Å; D466-Q470 PolarHBondContact O-N 3.24Å; D466-Q470 VanDerWaalsContact O-N 3.1Å; V467-Q470 WeakPolarHBondContact O-CB 3.39Å; V467-Q470 PolarHBondContact O-N 2.89Å; Q470-H474 WeakPolarHBondContact O-CB 3.45Å; Q470-H474 PolarHBondContact O-N 3.45Å; Q470-I526 HydrophobicContact CB-CD1 3.69Å; Q470-I526 HydrophobicContact CG-CD1 4.18Å
471	V	84.4	Confident	87.1	Confident	96 Å²	96	55.5 Å²	55.5	58%	0.582	27%	0.274	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.4	172.7	0	0	0	0	111.2	V467 R468 D469 H474 E475	V467-V471 WeakPolarHBondContact O-CG2 3.42Å; V467-V471 PolarHBondContact O-N 2.97Å; R468-V471 PolarHBondContact O-N 2.9Å; D469-V471 VanDerWaalsContact C-N 3.31Å; D469-V471 PolarHBondContact O-N 2.98Å; V471-H474 WeakPolarHBondContact O-CB 3.47Å; V471-H474 PolarHBondContact O-N 3.28Å; V471-E475 PolarHBondContact O-N 2.88Å; V471-E475 VanDerWaalsContact O-N 3.16Å
472	A	84.2	Confident	86.9	Confident	21 Å²	21	52.5 Å²	52.5	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-40	179.7	0	0	0	0	0	111.8	T430 R468 D469 H474 E475 A476	T430-A472 HydrophobicContact CG2-CB 3.75Å; R468-A472 PolarHBondContact O-N 2.86Å; D469-A472 PolarHBondContact O-N 2.89Å; A472-H474 VanDerWaalsContact C-N 3.34Å; A472-E475 PolarHBondContact O-N 3.41Å; A472-A476 PolarHBondContact O-N 2.96Å; A472-A476 VanDerWaalsContact O-N 3.17Å
473	I	88.2	Confident	86.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-40	172	-69.6	-173.8	0	0	0	111.1	L429 L449 I459 F462 M465 D469 E475 A476 M477 I499	L429-I473 HydrophobicContact CD1-CD1 4.05Å; L449-I473 HydrophobicContact CD1-CG1 4.26Å; I459-I473 HydrophobicContact CD1-CD1 3.98Å; F462-I473 HydrophobicContact CE2-CD1 4.05Å; M465-I473 HydrophobicContact CE-CD1 3.49Å; M465-I473 VanDerWaalsContact CE-CD1 3.49Å; M465-I473 HydrophobicContact CE-CG1 4.43Å; M465-I473 HydrophobicContact SD-CD1 3.86Å; D469-I473 PolarHBondContact O-N 3.19Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.78Å; I473-A476 PolarHBondContact O-N 3.01Å; I473-M477 HydrophobicContact CG2-CG 3.84Å; I473-M477 HydrophobicContact CG2-SD 3.62Å; I473-M477 WeakPolarHBondContact O-CB 3.48Å; I473-M477 WeakPolarHBondContact O-CG 3.42Å; I473-M477 PolarHBondContact O-N 3.07Å; I473-I499 HydrophobicContact CG2-CD1 4.13Å
474	H	88.1	Confident	86.5	Confident	53 Å²	53	55.8 Å²	55.8	25%	0.245	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-37.7	179.7	176.2	-98.4	0	0	0	112.4	Q470 V471 A472 E478 P525 I526	Q470-H474 WeakPolarHBondContact O-CB 3.45Å; Q470-H474 PolarHBondContact O-N 3.45Å; V471-H474 WeakPolarHBondContact O-CB 3.47Å; V471-H474 PolarHBondContact O-N 3.28Å; A472-H474 VanDerWaalsContact C-N 3.34Å; H474-E478 WeakPolarHBondContact O-CB 3.34Å; H474-E478 PolarHBondContact O-N 3.4Å; H474-P525 WeakPolarHBondContact NE2-CB 3.37Å; H474-I526 HydrophobicContact CB-CG1 4.13Å
475	E	87	Confident	86.5	Confident	55 Å²	55	55.6 Å²	55.6	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-50.2	171.4	-175	-176.9	160.6	0	0	111	V471 A472 I473 M477 E478 Q479 S483	V471-E475 PolarHBondContact O-N 2.88Å; V471-E475 VanDerWaalsContact O-N 3.16Å; A472-E475 PolarHBondContact O-N 3.41Å; I473-E475 VanDerWaalsContact C-N 3.3Å; I473-E475 PolarHBondContact O-N 2.78Å; E475-M477 PolarHBondContact O-N 2.88Å; E475-E478 PolarHBondContact O-N 3.02Å; E475-Q479 PolarHBondContact O-N 3.07Å; E475-S483 WeakPolarHBondContact OE1-CB 3.42Å; E475-S483 PolarHBondContact OE1-N 3.25Å; E475-S483 PolarHBondContact OE1-OG 3.1Å
476	A	87.8	Confident	86.4	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-43.8	-179.5	0	0	0	0	0	112.7	L449 A472 I473 E478 Q480 I482	L449-A476 HydrophobicContact CD1-CB 4.32Å; A472-A476 PolarHBondContact O-N 2.96Å; A472-A476 VanDerWaalsContact O-N 3.17Å; I473-A476 PolarHBondContact O-N 3.01Å; A476-E478 VanDerWaalsContact C-N 3.29Å; A476-E478 PolarHBondContact O-N 3.49Å; A476-Q480 WeakPolarHBondContact O-CA 3.16Å; A476-Q480 PolarHBondContact O-N 3.49Å; A476-I482 HydrophobicContact CB-CD1 3.96Å; A476-I482 HydrophobicContact CB-CG1 3.73Å
477	M	89	Confident	86.2	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-28.5	179.8	-73.2	-179.1	82.1	0	0	113.4	R387 N391 I473 E475 I499 R529 F530	R387-M477 PolarHBondContact NH1-O 3.39Å; N391-M477 HydrophobicContact CB-CE 4.14Å; N391-M477 VanDerWaalsContact ND2-CE 3.34Å; N391-M477 WeakPolarHBondContact ND2-CE 3.36Å; I473-M477 HydrophobicContact CG2-CG 3.84Å; I473-M477 HydrophobicContact CG2-SD 3.62Å; I473-M477 WeakPolarHBondContact O-CB 3.48Å; I473-M477 WeakPolarHBondContact O-CG 3.42Å; I473-M477 PolarHBondContact O-N 3.07Å; E475-M477 PolarHBondContact O-N 2.88Å; M477-I499 HydrophobicContact CE-CD1 4.26Å; M477-I499 HydrophobicContact CG-CD1 3.43Å; M477-I499 VanDerWaalsContact CG-CD1 3.43Å; M477-I499 HydrophobicContact SD-CD1 3.84Å; M477-R529 HydrophobicContact CB-CB 4.43Å; M477-R529 HydrophobicContact CE-CB 3.78Å; M477-R529 HydrophobicContact SD-CB 4.41Å; M477-F530 HydrophobicContact CE-CD1 4.3Å; M477-F530 HydrophobicContact CE-CD2 4.12Å; M477-F530 HydrophobicContact CE-CE1 4.07Å; M477-F530 HydrophobicContact CE-CE2 3.88Å; M477-F530 HydrophobicContact CE-CG 4.32Å; M477-F530 HydrophobicContact CE-CZ 3.85Å; M477-F530 HydrophobicContact SD-CE2 4.47Å
478	E	83.4	Confident	86	Confident	82 Å²	82	57.8 Å²	57.8	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-86.5	-51.9	-176.8	173.7	62.9	148.6	0	0	112.4	H474 E475 A476 R529	H474-E478 WeakPolarHBondContact O-CB 3.34Å; H474-E478 PolarHBondContact O-N 3.4Å; E475-E478 PolarHBondContact O-N 3.02Å; A476-E478 VanDerWaalsContact C-N 3.29Å; A476-E478 PolarHBondContact O-N 3.49Å; E478-R529 IonicContact OE1-CZ 2.73Å; E478-R529 IonicContact OE1-NH1 3.67Å; E478-R529 PolarHBondContact OE1-NH1 3.02Å; E478-R529 IonicContact OE1-NH2 3.41Å; E478-R529 PolarHBondContact OE1-NH2 3.12Å; E478-R529 IonicContact OE2-CZ 3.82Å; E478-R529 IonicContact OE2-NE 3.21Å; E478-R529 PolarHBondContact OE2-NE 2.61Å; E478-R529 IonicContact OE2-NH1 3.09Å; E478-R529 PolarHBondContact OE2-NH1 2.91Å; E478-R529 IonicContact OE2-NH2 3.01Å; E478-R529 PolarHBondContact OE2-NH2 3.02Å
479	Q	84.7	Confident	86	Confident	121 Å²	121	49.3 Å²	49.3	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-95	-10.4	-172.4	-63.3	-177.6	-15.8	0	0	112.4	E475 T481	E475-Q479 PolarHBondContact O-N 3.07Å; Q479-T481 WeakPolarHBondContact CB-OG1 3.28Å; Q479-T481 PolarHBondContact O-N 3.32Å; Q479-T481 VanDerWaalsContact O-N 3.11Å
480	Q	88	Confident	86.1	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.103	33%	0.326	C	S	.	.	S	Bend	trans	53.3	22.6	-167.5	-56.3	-163.7	-75.5	0	0	113	R387 D389 A476 A495 R496	R387-Q480 HydrophobicContact CB-CG 4.5Å; R387-Q480 HydrophobicContact CG-CG 4.35Å; D389-Q480 PolarHBondContact OD2-NE2 2.95Å; A476-Q480 WeakPolarHBondContact O-CA 3.16Å; A476-Q480 PolarHBondContact O-N 3.49Å; Q480-A495 PolarHBondContact O-N 2.98Å; Q480-R496 HydrophobicContact CB-CG 4.44Å
481	T	88.4	Confident	86.1	Confident	41 Å²	41	57.6 Å²	57.6	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.1	178.1	61.9	0	0	0	0	109.6	Q479 L493	Q479-T481 WeakPolarHBondContact CB-OG1 3.28Å; Q479-T481 PolarHBondContact O-N 3.32Å; Q479-T481 VanDerWaalsContact O-N 3.11Å; T481-L493 CarbonylContact C-O 3.53Å; T481-L493 VanDerWaalsContact CA-O 3.23Å; T481-L493 WeakPolarHBondContact CA-O 3.24Å
482	I	88.3	Confident	86.2	Confident	6 Å²	6	58 Å²	58	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.7	176.2	-61.7	170	0	0	0	107.3	T430 A476 I484 L493 A495	T430-I482 HydrophobicContact CG2-CD1 3.88Å; T430-I482 HydrophobicContact CG2-CG2 4.47Å; A476-I482 HydrophobicContact CB-CD1 3.96Å; A476-I482 HydrophobicContact CB-CG1 3.73Å; I482-I484 HydrophobicContact CG2-CD1 4.42Å; I482-I484 HydrophobicContact CG2-CG1 4.1Å; I482-L493 PolarHBondContact N-O 2.73Å; I482-L493 PolarHBondContact O-N 2.86Å; I482-A495 HydrophobicContact CD1-CB 3.89Å; I482-A495 HydrophobicContact CG1-CB 4.15Å
483	S	86.7	Confident	86.3	Confident	62 Å²	62	58.6 Å²	58.6	43%	0.434	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.6	176	67.5	0	0	0	0	111	E475	E475-S483 WeakPolarHBondContact OE1-CB 3.42Å; E475-S483 PolarHBondContact OE1-N 3.25Å; E475-S483 PolarHBondContact OE1-OG 3.1Å
484	I	86.4	Confident	86.3	Confident	13 Å²	13	63 Å²	63	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.4	177.5	-58.4	-179.6	0	0	0	108.6	A431 V433 I482 K486 K490 A491 L493	A431-I484 HydrophobicContact CB-CD1 3.28Å; V433-I484 HydrophobicContact CG2-CG2 3.88Å; I482-I484 HydrophobicContact CG2-CD1 4.42Å; I482-I484 HydrophobicContact CG2-CG1 4.1Å; I484-K486 HydrophobicContact CG2-CB 4.24Å; I484-K486 HydrophobicContact CG2-CD 4.48Å; I484-K486 HydrophobicContact CG2-CG 4.3Å; I484-K490 WeakPolarHBondContact O-CA 3.32Å; I484-A491 PolarHBondContact N-O 3.3Å; I484-A491 PolarHBondContact O-N 3.17Å; I484-L493 HydrophobicContact CD1-CD1 3.97Å
485	T	87.1	Confident	86.2	Confident	106 Å²	106	60.6 Å²	60.6	65%	0.65	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	87	171.1	-53.1	0	0	0	0	108.3	V489	T485-V489 WeakPolarHBondContact CA-O 3.2Å
486	K	86.3	Confident	86.2	Confident	135 Å²	135	62.6 Å²	62.6	59%	0.587	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.9	-178.6	-72.5	-176.5	-178.2	170.3	0	110.8	V433 I484 G488 V489	V433-K486 HydrophobicContact CG2-CB 4.07Å; I484-K486 HydrophobicContact CG2-CB 4.24Å; I484-K486 HydrophobicContact CG2-CD 4.48Å; I484-K486 HydrophobicContact CG2-CG 4.3Å; K486-G488 PolarHBondContact O-N 3.35Å; K486-G488 VanDerWaalsContact O-N 3.09Å; K486-V489 PolarHBondContact N-O 3.24Å; K486-V489 VanDerWaalsContact N-O 3.09Å; K486-V489 PolarHBondContact O-N 3.22Å
487	A	84.1	Confident	86.4	Confident	55 Å²	55	63 Å²	63	46%	0.455	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	36.8	174.9	0	0	0	0	0	114.7	V433 F442 V489	V433-A487 HydrophobicContact CG1-CB 4.12Å; F442-A487 HydrophobicContact CB-CB 4.3Å; F442-A487 HydrophobicContact CD1-CB 3.77Å; F442-A487 HydrophobicContact CD2-CB 3.87Å; F442-A487 HydrophobicContact CE1-CB 3.97Å; F442-A487 HydrophobicContact CE2-CB 4.08Å; F442-A487 HydrophobicContact CG-CB 3.71Å; F442-A487 HydrophobicContact CZ-CB 4.13Å; A487-V489 PolarHBondContact O-N 3.03Å
488	G	81	Confident	86.6	Confident	88 Å²	88	62.8 Å²	62.8	91%	0.907	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-5.2	-179	0	0	0	0	0	115.1	K486	K486-G488 PolarHBondContact O-N 3.35Å; K486-G488 VanDerWaalsContact O-N 3.09Å
489	V	82.6	Confident	87.1	Confident	38 Å²	38	59 Å²	59	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.5	176.1	-171.4	0	0	0	0	109.2	F442 I444 T485 K486 A487 A491	F442-V489 HydrophobicContact CB-CG2 4.18Å; I444-V489 HydrophobicContact CD1-CG1 3.69Å; I444-V489 HydrophobicContact CG1-CG1 4.05Å; T485-V489 WeakPolarHBondContact CA-O 3.2Å; K486-V489 PolarHBondContact N-O 3.24Å; K486-V489 VanDerWaalsContact N-O 3.09Å; K486-V489 PolarHBondContact O-N 3.22Å; A487-V489 PolarHBondContact O-N 3.03Å; V489-A491 HydrophobicContact CG1-CB 4.38Å
490	K	86.8	Confident	87.6	Confident	178 Å²	178	53.3 Å²	53.3	77%	0.774	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.5	170.3	-175.8	178.9	-179.6	-179.5	0	108.3	I484	I484-K490 WeakPolarHBondContact O-CA 3.32Å
491	A	85.2	Confident	87.9	Confident	24 Å²	24	52.2 Å²	52.2	20%	0.198	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.3	-179.8	0	0	0	0	0	110.7	I444 I484 V489	I444-A491 HydrophobicContact CD1-CB 3.56Å; I484-A491 PolarHBondContact N-O 3.3Å; I484-A491 PolarHBondContact O-N 3.17Å; V489-A491 HydrophobicContact CG1-CB 4.38Å
492	T	87.1	Confident	88.2	Confident	105 Å²	105	50.3 Å²	50.3	64%	0.644	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	117	170.9	48.7	0	0	0	0	107.7
493	L	86.9	Confident	88.4	Confident	34 Å²	34	50 Å²	50	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.7	-173.1	-58.7	164.9	0	0	0	108.6	A431 I444 M450 T481 I482 I484	A431-L493 HydrophobicContact CB-CD1 3.86Å; I444-L493 HydrophobicContact CD1-CD1 4.49Å; I444-L493 HydrophobicContact CG2-CD1 3.92Å; M450-L493 HydrophobicContact CE-CB 3.77Å; M450-L493 HydrophobicContact CE-CD1 3.62Å; M450-L493 HydrophobicContact CE-CD2 3.88Å; M450-L493 HydrophobicContact CE-CG 3.92Å; M450-L493 HydrophobicContact SD-CB 3.95Å; M450-L493 HydrophobicContact SD-CD1 3.5Å; M450-L493 WeakPolarHBondContact SD-CD1 3.5Å; M450-L493 HydrophobicContact SD-CG 4.22Å; T481-L493 CarbonylContact C-O 3.53Å; T481-L493 VanDerWaalsContact CA-O 3.23Å; T481-L493 WeakPolarHBondContact CA-O 3.24Å; I482-L493 PolarHBondContact N-O 2.73Å; I482-L493 PolarHBondContact O-N 2.86Å; I484-L493 HydrophobicContact CD1-CD1 3.97Å
494	N	86.8	Confident	88.7	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.8	177.9	-63.8	-22.8	0	0	0	110.1
495	A	86.6	Confident	89	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.025	28%	0.279	C	S	.	.			trans	-138.5	66.8	178.4	0	0	0	0	0	109.5	Q480 I482 T497	Q480-A495 PolarHBondContact O-N 2.98Å; I482-A495 HydrophobicContact CD1-CB 3.89Å; I482-A495 HydrophobicContact CG1-CB 4.15Å; A495-T497 VanDerWaalsContact C-N 3.27Å; A495-T497 PolarHBondContact O-N 3.31Å
496	R	87.9	Confident	89.1	Confident	98 Å²	98	48.3 Å²	48.3	37%	0.37	27%	0.273	S	S	.	.			trans	-84.3	74.1	-179	-58.3	169	-68.1	-174.6	-0.7	109.1	D453 N454 Q480	D453-R496 WeakPolarHBondContact OD1-CA 3.45Å; D453-R496 VanDerWaalsContact OD1-CB 3.26Å; D453-R496 WeakPolarHBondContact OD1-CB 3.19Å; D453-R496 PolarHBondContact OD1-N 2.93Å; D453-R496 IonicContact OD1-NE 2.81Å; D453-R496 PolarHBondContact OD1-NE 3.42Å; D453-R496 IonicContact OD2-CZ 3.86Å; D453-R496 IonicContact OD2-NE 2.61Å; D453-R496 PolarHBondContact OD2-NE 3.4Å; D453-R496 IonicContact OD2-NH2 3.29Å; D453-R496 PolarHBondContact OD2-NH2 2.8Å; N454-R496 VanDerWaalsContact CA-O 3.25Å; N454-R496 WeakPolarHBondContact CA-O 3.38Å; N454-R496 PolarHBondContact N-O 2.83Å; N454-R496 PolarHBondContact OD1-NE 2.89Å; Q480-R496 HydrophobicContact CB-CG 4.44Å
497	T	90.4	Very high	89.1	Confident	12 Å²	12	45.8 Å²	45.8	7%	0.074	27%	0.272	C	S	.	.			trans	-124	142.6	-177.3	63.4	0	0	0	0	110.9	L449 A452 A495	L449-T497 WeakPolarHBondContact O-CG2 3.33Å; A452-T497 HydrophobicContact CB-CG2 3.99Å; A452-T497 WeakPolarHBondContact O-CG2 3.42Å; A495-T497 VanDerWaalsContact C-N 3.27Å; A495-T497 PolarHBondContact O-N 3.31Å
498	S	93.4	Very high	89.2	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.3	164.9	171.2	0	0	0	0	109	M371 I390 G455 V456 C457	M371-S498 WeakPolarHBondContact CG-OG 3.36Å; I390-S498 PolarHBondContact O-OG 2.78Å; G455-S498 PolarHBondContact O-N 2.95Å; V456-S498 CarbonylContact C-O 3.54Å; V456-S498 WeakPolarHBondContact CA-O 3.43Å; C457-S498 PolarHBondContact N-O 3.48Å
499	I	94.4	Very high	89.5	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125	178.1	-58.3	-175	0	0	0	109.9	N391 V392 L449 C457 I459 I473 M477 A501 F530	N391-I499 PolarHBondContact OD1-N 3.05Å; V392-I499 PolarHBondContact N-O 3Å; L449-I499 HydrophobicContact CD2-CD1 4.32Å; C457-I499 WeakPolarHBondContact O-CA 3.23Å; I459-I499 HydrophobicContact CD1-CG2 4.06Å; I459-I499 HydrophobicContact CG1-CG2 4.48Å; I473-I499 HydrophobicContact CG2-CD1 4.13Å; M477-I499 HydrophobicContact CE-CD1 4.26Å; M477-I499 HydrophobicContact CG-CD1 3.43Å; M477-I499 VanDerWaalsContact CG-CD1 3.43Å; M477-I499 HydrophobicContact SD-CD1 3.84Å; I499-A501 HydrophobicContact CG2-CB 4.34Å; I499-F530 HydrophobicContact CG2-CE1 4.18Å; I499-F530 HydrophobicContact CG2-CZ 4.3Å
500	L	95.6	Very high	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105	165.5	-178.8	60.6	0	0	0	108.8	V368 M371 V392 I394 L406 V409 V456 C457 C458 I459	V368-L500 HydrophobicContact CG2-CD1 4.27Å; M371-L500 HydrophobicContact CE-CB 4.07Å; M371-L500 HydrophobicContact CE-CD2 4.21Å; M371-L500 HydrophobicContact SD-CB 3.86Å; M371-L500 HydrophobicContact SD-CD1 4.15Å; M371-L500 HydrophobicContact SD-CG 4.46Å; V392-L500 HydrophobicContact CB-CD1 4Å; V392-L500 HydrophobicContact CG1-CD1 4.03Å; V392-L500 WeakPolarHBondContact O-CA 3.4Å; I394-L500 HydrophobicContact CD1-CD1 4.11Å; I394-L500 HydrophobicContact CG1-CD1 4.37Å; L406-L500 HydrophobicContact CD1-CD2 4.02Å; L406-L500 HydrophobicContact CD1-CG 4.02Å; L406-L500 HydrophobicContact CG-CD2 4.07Å; L406-L500 HydrophobicContact CG-CG 4.18Å; V409-L500 HydrophobicContact CB-CD2 4.22Å; V409-L500 HydrophobicContact CG1-CD2 4.35Å; V409-L500 HydrophobicContact CG2-CD2 4.01Å; V456-L500 HydrophobicContact CG1-CB 4.17Å; C457-L500 PolarHBondContact O-N 3.23Å; C458-L500 WeakPolarHBondContact CA-O 3.16Å; I459-L500 PolarHBondContact N-O 2.76Å
501	A	94.3	Very high	89.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.6	-178.2	0	0	0	0	0	111.5	V392 C393 I394 I459 F462 I499 F530	V392-A501 PolarHBondContact O-N 3.39Å; C393-A501 WeakPolarHBondContact CA-O 3.48Å; I394-A501 PolarHBondContact N-O 3.02Å; I459-A501 CarbonylContact O-C 3.57Å; I459-A501 WeakPolarHBondContact O-CA 3.36Å; F462-A501 HydrophobicContact CB-CB 4.16Å; F462-A501 HydrophobicContact CD1-CB 4.31Å; F462-A501 HydrophobicContact CD2-CB 4.44Å; F462-A501 HydrophobicContact CG-CB 4.06Å; I499-A501 HydrophobicContact CG2-CB 4.34Å; A501-F530 HydrophobicContact CB-CE1 3.85Å; A501-F530 HydrophobicContact CB-CZ 3.73Å
502	A	94.3	Very high	89.5	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.1	165.9	0	0	0	0	0	110	I394 K402 L406 I459 D460 E461 F462	I394-A502 CarbonylContact O-C 3.54Å; I394-A502 WeakPolarHBondContact O-CA 3.37Å; K402-A502 HydrophobicContact CB-CB 4.33Å; L406-A502 HydrophobicContact CD1-CB 3.95Å; L406-A502 HydrophobicContact CD2-CB 4.08Å; I459-A502 PolarHBondContact O-N 2.97Å; D460-A502 WeakPolarHBondContact OD1-CB 3.34Å; E461-A502 PolarHBondContact N-O 2.86Å; F462-A502 WeakPolarHBondContact CB-O 3.41Å; F462-A502 PolarHBondContact N-O 2.95Å
503	A	93.1	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.8	179.7	0	0	0	0	0	111.7	I394 V395 G396 K402 D463	I394-A503 PolarHBondContact O-N 3.34Å; V395-A503 WeakPolarHBondContact CA-O 3.22Å; V395-A503 HydrophobicContact CG2-CB 4.34Å; G396-A503 PolarHBondContact N-O 2.93Å; K402-A503 PolarHBondContact NZ-O 3.49Å; D463-A503 HydrophobicContact CB-CB 4.41Å
504	N	92.4	Very high	89	Confident	37 Å²	37	41.7 Å²	41.7	20%	0.198	22%	0.215	C	C	.	.			trans	-108.5	145.9	173.7	-63.9	-54.8	0	0	0	111	K402 D463	K402-N504 PolarHBondContact NZ-OD1 3.14Å; D463-N504 PolarHBondContact OD1-N 2.96Å; D463-N504 VanDerWaalsContact OD1-N 3.13Å
505	P	92.2	Very high	88.8	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.019	20%	0.201	C	C	.	.			trans	-59.5	151.6	166.6	-21.6	31.5	0	0	0	111.9	V395 G396 S507 G508 H509 Y510 N519	V395-P505 HydrophobicContact CG1-CG 4.47Å; G396-P505 WeakPolarHBondContact O-CD 3.38Å; P505-S507 VanDerWaalsContact C-N 3.34Å; P505-S507 PolarHBondContact O-N 2.78Å; P505-G508 PolarHBondContact O-N 3.42Å; P505-G508 VanDerWaalsContact O-N 3.11Å; P505-H509 WeakPolarHBondContact CB-O 3.49Å; P505-Y510 HydrophobicContact CG-CD2 4.25Å; P505-N519 WeakPolarHBondContact CA-O 3.15Å
506	I	89.4	Confident	88.6	Confident	104 Å²	104	38.8 Å²	38.8	53%	0.533	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-42.5	-177.3	-64.2	170.7	0	0	0	111.9	G508 Q518 N519 N521	I506-G508 VanDerWaalsContact C-N 3.28Å; I506-G508 PolarHBondContact O-N 3.12Å; I506-Q518 WeakPolarHBondContact CD1-O 3.45Å; I506-N519 WeakPolarHBondContact CG1-O 3.38Å; I506-N519 PolarHBondContact N-O 2.94Å; I506-N521 HydrophobicContact CD1-CB 4.25Å; I506-N521 HydrophobicContact CG1-CB 4.2Å
507	S	86.2	Confident	88.4	Confident	82 Å²	82	38.6 Å²	38.6	57%	0.573	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	6.4	179.5	40.9	0	0	0	0	114	P505 H509	P505-S507 VanDerWaalsContact C-N 3.34Å; P505-S507 PolarHBondContact O-N 2.78Å; S507-H509 PolarHBondContact O-N 3.36Å; S507-H509 PolarHBondContact OG-O 2.9Å
508	G	86.5	Confident	88.1	Confident	24 Å²	24	43.8 Å²	43.8	25%	0.247	23%	0.227	C	C	.	.	S	Bend	trans	78.4	-38.2	-170.4	0	0	0	0	0	113.1	P398 P505 I506	P398-G508 WeakPolarHBondContact CD-O 3.04Å; P505-G508 PolarHBondContact O-N 3.42Å; P505-G508 VanDerWaalsContact O-N 3.11Å; I506-G508 VanDerWaalsContact C-N 3.28Å; I506-G508 PolarHBondContact O-N 3.12Å
509	H	87.6	Confident	87.8	Confident	130 Å²	130	43.9 Å²	43.9	60%	0.602	23%	0.227	S	C	*	.	S	Bend	trans	-102.6	143.7	174.8	-64.3	-72.3	0	0	0	112.6	D397 P505 S507 D511	D397-H509 VanDerWaalsContact OD1-CA 3.24Å; D397-H509 WeakPolarHBondContact OD1-CA 3.45Å; P505-H509 WeakPolarHBondContact CB-O 3.49Å; S507-H509 PolarHBondContact O-N 3.36Å; S507-H509 PolarHBondContact OG-O 2.9Å; H509-D511 PolarHBondContact O-N 3Å
510	Y	87.3	Confident	87.5	Confident	20 Å²	20	43.8 Å²	43.8	8%	0.078	23%	0.226	C	C	.	.			trans	-80.1	113.2	175.4	-169.2	-88.4	0	0	0	111.5	D397 P505 R512 L516 N519 I535 V537	D397-Y510 PolarHBondContact OD1-N 2.8Å; P505-Y510 HydrophobicContact CG-CD2 4.25Å; Y510-R512 HydrophobicContact CD1-CG 4.36Å; Y510-R512 HydrophobicContact CE1-CG 4.43Å; Y510-L516 HydrophobicContact CE2-CD1 3.86Å; Y510-N519 HydrophobicContact CD2-CB 4.4Å; Y510-N519 HydrophobicContact CE2-CB 4.09Å; Y510-I535 HydrophobicContact CD1-CG2 3.96Å; Y510-I535 HydrophobicContact CD2-CG2 3.74Å; Y510-I535 HydrophobicContact CE1-CG2 3.9Å; Y510-I535 HydrophobicContact CE2-CD1 4.39Å; Y510-I535 HydrophobicContact CE2-CG1 4.24Å; Y510-I535 HydrophobicContact CE2-CG2 3.66Å; Y510-I535 HydrophobicContact CG-CG2 3.89Å; Y510-V537 HydrophobicContact CD1-CG2 4.05Å; Y510-V537 HydrophobicContact CG-CG2 4.48Å
511	D	84.9	Confident	87.1	Confident	50 Å²	50	48.9 Å²	48.9	27%	0.267	25%	0.253	S	S	.	.			trans	-91.5	112.2	179.2	-176.2	-2.8	0	0	0	111.1	H509 S513 K514 N519	H509-D511 PolarHBondContact O-N 3Å; D511-S513 PolarHBondContact O-N 3.27Å; D511-S513 VanDerWaalsContact OD1-CB 3.25Å; D511-S513 WeakPolarHBondContact OD1-CB 3.46Å; D511-S513 PolarHBondContact OD1-N 3.38Å; D511-S513 PolarHBondContact OD1-OG 3.24Å; D511-S513 PolarHBondContact OD2-OG 3.48Å; D511-K514 PolarHBondContact O-N 3.29Å; D511-K514 IonicContact OD2-NZ 3.73Å; D511-K514 PolarHBondContact OD2-NZ 3.41Å; D511-N519 PolarHBondContact O-ND2 2.97Å
512	R	82.9	Confident	86.7	Confident	83 Å²	83	49.2 Å²	49.2	31%	0.313	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.5	-179.3	-63.8	-175.2	-176.3	177.1	4.6	113.7	Y510 K514 E539 E660	Y510-R512 HydrophobicContact CD1-CG 4.36Å; Y510-R512 HydrophobicContact CE1-CG 4.43Å; R512-K514 VanDerWaalsContact C-N 3.29Å; R512-K514 PolarHBondContact O-N 3.44Å; R512-E539 IonicContact CZ-OE1 3.57Å; R512-E539 IonicContact NH1-OE1 3.46Å; R512-E539 PolarHBondContact NH1-OE1 3.22Å; R512-E539 IonicContact NH2-OE1 2.8Å; R512-E539 PolarHBondContact NH2-OE1 2.58Å; R512-E660 HydrophobicContact CB-CB 4.38Å; R512-E660 WeakPolarHBondContact CD-OE2 3.44Å; R512-E660 IonicContact NH1-OE1 2.75Å; R512-E660 PolarHBondContact O-N 2.97Å
513	S	80.8	Confident	86.3	Confident	40 Å²	40	51.2 Å²	51.2	28%	0.28	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.1	179.6	76.1	0	0	0	0	113.5	D511 V659 E660	D511-S513 PolarHBondContact O-N 3.27Å; D511-S513 VanDerWaalsContact OD1-CB 3.25Å; D511-S513 WeakPolarHBondContact OD1-CB 3.46Å; D511-S513 PolarHBondContact OD1-N 3.38Å; D511-S513 PolarHBondContact OD1-OG 3.24Å; D511-S513 PolarHBondContact OD2-OG 3.48Å; S513-V659 WeakPolarHBondContact O-CG1 3.12Å; S513-E660 WeakPolarHBondContact CA-O 3.41Å
514	K	82.6	Confident	85.8	Confident	89 Å²	89	53.7 Å²	53.7	39%	0.387	29%	0.29	S	S	.	.	S	Bend	trans	-100.8	154.4	-177.7	-65.6	-170.6	-176.6	91.5	0	111.2	D511 R512 Q518 N519	D511-K514 PolarHBondContact O-N 3.29Å; D511-K514 IonicContact OD2-NZ 3.73Å; D511-K514 PolarHBondContact OD2-NZ 3.41Å; R512-K514 VanDerWaalsContact C-N 3.29Å; R512-K514 PolarHBondContact O-N 3.44Å; K514-Q518 HydrophobicContact CB-CB 4.29Å; K514-N519 PolarHBondContact O-ND2 2.85Å
515	S	82.5	Confident	85.5	Confident	29 Å²	29	55 Å²	55	20%	0.203	30%	0.3	C	S	.	.			trans	-66.4	151.4	171.2	66.2	0	0	0	0	111.1	K517 Q518 N519	S515-K517 PolarHBondContact O-N 2.68Å; S515-K517 VanDerWaalsContact O-N 3.1Å; S515-Q518 PolarHBondContact O-N 3.29Å; S515-Q518 VanDerWaalsContact OG-CD 3.3Å; S515-Q518 WeakPolarHBondContact OG-CG 3.16Å; S515-Q518 PolarHBondContact OG-OE1 2.86Å; S515-N519 PolarHBondContact O-N 2.77Å
516	L	82.1	Confident	85.3	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-52.7	-36.5	176	-172.8	66.4	0	0	0	112.1	Y510 Q518 N519 I520 M527 F533 I535 W614	Y510-L516 HydrophobicContact CE2-CD1 3.86Å; L516-Q518 VanDerWaalsContact C-N 3.29Å; L516-Q518 PolarHBondContact O-N 3.12Å; L516-N519 PolarHBondContact O-N 3.37Å; L516-I520 HydrophobicContact CD1-CD1 3.48Å; L516-I520 VanDerWaalsContact CD1-CD1 3.48Å; L516-I520 HydrophobicContact CD1-CG1 4.19Å; L516-I520 HydrophobicContact CG-CD1 3.93Å; L516-I520 PolarHBondContact O-N 2.72Å; L516-M527 HydrophobicContact CB-CE 4.42Å; L516-M527 HydrophobicContact CD2-CE 3.75Å; L516-M527 HydrophobicContact CG-CE 3.89Å; L516-F533 HydrophobicContact CD2-CD1 4.31Å; L516-F533 HydrophobicContact CD2-CG 4.46Å; L516-I535 HydrophobicContact CD1-CD1 3.79Å; L516-I535 HydrophobicContact CD1-CG1 4.13Å; L516-W614 HydrophobicContact CD2-CE3 4.15Å
517	K	83.2	Confident	85.1	Confident	93 Å²	93	50.2 Å²	50.2	40%	0.404	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-33.7	177.7	-175.9	68.1	-176	158.9	0	113.1	S515 L522 M527	S515-K517 PolarHBondContact O-N 2.68Å; S515-K517 VanDerWaalsContact O-N 3.1Å; K517-L522 PolarHBondContact NZ-O 2.88Å; K517-M527 HydrophobicContact CD-SD 3.84Å
518	Q	85.1	Confident	85	Confident	122 Å²	122	47.1 Å²	47.1	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-86.6	-27.2	178.1	-70.5	163.5	-37.9	0	0	111.8	I506 K514 S515 L516	I506-Q518 WeakPolarHBondContact CD1-O 3.45Å; K514-Q518 HydrophobicContact CB-CB 4.29Å; S515-Q518 PolarHBondContact O-N 3.29Å; S515-Q518 VanDerWaalsContact OG-CD 3.3Å; S515-Q518 WeakPolarHBondContact OG-CG 3.16Å; S515-Q518 PolarHBondContact OG-OE1 2.86Å; L516-Q518 VanDerWaalsContact C-N 3.29Å; L516-Q518 PolarHBondContact O-N 3.12Å
519	N	86.8	Confident	85.1	Confident	5 Å²	5	47 Å²	47	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-75.6	-22.7	178.2	-78.9	-28.7	0	0	0	113.8	P505 I506 Y510 D511 K514 S515 L516	P505-N519 WeakPolarHBondContact CA-O 3.15Å; I506-N519 WeakPolarHBondContact CG1-O 3.38Å; I506-N519 PolarHBondContact N-O 2.94Å; Y510-N519 HydrophobicContact CD2-CB 4.4Å; Y510-N519 HydrophobicContact CE2-CB 4.09Å; D511-N519 PolarHBondContact O-ND2 2.97Å; K514-N519 PolarHBondContact O-ND2 2.85Å; S515-N519 PolarHBondContact O-N 2.77Å; L516-N519 PolarHBondContact O-N 3.37Å
520	I	86.9	Confident	85.2	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.015	22%	0.217	C	C	.	.	S	Bend	trans	-128	135.3	-174.3	-43.5	173.1	0	0	0	110.8	V395 L516 L522	V395-I520 HydrophobicContact CB-CD1 4.2Å; V395-I520 HydrophobicContact CG1-CD1 3.71Å; V395-I520 HydrophobicContact CG1-CG1 4.1Å; V395-I520 HydrophobicContact CG2-CD1 3.52Å; L516-I520 HydrophobicContact CD1-CD1 3.48Å; L516-I520 VanDerWaalsContact CD1-CD1 3.48Å; L516-I520 HydrophobicContact CD1-CG1 4.19Å; L516-I520 HydrophobicContact CG-CD1 3.93Å; L516-I520 PolarHBondContact O-N 2.72Å; I520-L522 HydrophobicContact CG2-CB 4.34Å; I520-L522 HydrophobicContact CG2-CD1 3.82Å; I520-L522 HydrophobicContact CG2-CG 3.67Å; I520-L522 PolarHBondContact O-N 3.19Å
521	N	87.2	Confident	85.3	Confident	106 Å²	106	40.1 Å²	40.1	57%	0.567	21%	0.214	S	C	*	.			trans	-79.3	56.6	175.1	-171.2	36.4	0	0	0	112.9	I506	I506-N521 HydrophobicContact CD1-CB 4.25Å; I506-N521 HydrophobicContact CG1-CB 4.2Å
522	L	85.8	Confident	85.6	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	20%	0.202	C	C	.	.			trans	-117.9	146.7	176.4	-66.3	177.1	0	0	0	112.2	F462 K517 I520 M527	F462-L522 HydrophobicContact CD1-CD1 3.98Å; F462-L522 HydrophobicContact CD1-CD2 3.56Å; F462-L522 HydrophobicContact CD1-CG 4.43Å; F462-L522 HydrophobicContact CE1-CD1 4.08Å; F462-L522 HydrophobicContact CE1-CD2 3.55Å; F462-L522 HydrophobicContact CE1-CG 4.46Å; K517-L522 PolarHBondContact NZ-O 2.88Å; I520-L522 HydrophobicContact CG2-CB 4.34Å; I520-L522 HydrophobicContact CG2-CD1 3.82Å; I520-L522 HydrophobicContact CG2-CG 3.67Å; I520-L522 PolarHBondContact O-N 3.19Å; L522-M527 HydrophobicContact CB-CG 3.95Å; L522-M527 HydrophobicContact CB-SD 4.41Å
523	S	86.1	Confident	85.9	Confident	43 Å²	43	34.2 Å²	34.2	30%	0.301	19%	0.189	S	C	.	.			trans	-69.7	145.5	175.4	78.1	0	0	0	0	111	P525 I526 M527	S523-P525 VanDerWaalsContact C-CD 3.45Å; S523-I526 PolarHBondContact O-N 3.04Å; S523-I526 WeakPolarHBondContact OG-CD1 3.39Å; S523-I526 VanDerWaalsContact OG-CG1 3.28Å; S523-I526 WeakPolarHBondContact OG-CG1 3.46Å; S523-M527 WeakPolarHBondContact O-CG 3.33Å; S523-M527 PolarHBondContact O-N 3.31Å; S523-M527 VanDerWaalsContact O-N 3.1Å
524	A	83.2	Confident	86.4	Confident	53 Å²	53	32.8 Å²	32.8	44%	0.438	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-37.2	-179.6	0	0	0	0	0	113	I526 M527 S528	A524-I526 PolarHBondContact O-N 3.1Å; A524-M527 PolarHBondContact O-N 3.29Å; A524-S528 PolarHBondContact O-N 3.09Å; A524-S528 PolarHBondContact O-OG 2.85Å
525	P	85.8	Confident	86.7	Confident	63 Å²	63	29.6 Å²	29.6	41%	0.409	16%	0.164	S	C	.	.	H	α-helix	trans	-58	-47.3	174.1	-25.8	35.7	0	0	0	112.3	H474 S523 S528 R529	H474-P525 WeakPolarHBondContact NE2-CB 3.37Å; S523-P525 VanDerWaalsContact C-CD 3.45Å; P525-S528 PolarHBondContact O-N 2.95Å; P525-S528 PolarHBondContact O-OG 3.03Å; P525-R529 WeakPolarHBondContact O-CG 3.3Å; P525-R529 PolarHBondContact O-N 3.19Å
526	I	88.3	Confident	87.1	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-46.5	-179.5	-69.9	173.1	0	0	0	111.2	F462 Q470 H474 S523 A524 S528 R529 F530	F462-I526 HydrophobicContact CE1-CG2 3.79Å; F462-I526 HydrophobicContact CZ-CG2 3.89Å; Q470-I526 HydrophobicContact CB-CD1 3.69Å; Q470-I526 HydrophobicContact CG-CD1 4.18Å; H474-I526 HydrophobicContact CB-CG1 4.13Å; S523-I526 PolarHBondContact O-N 3.04Å; S523-I526 WeakPolarHBondContact OG-CD1 3.39Å; S523-I526 VanDerWaalsContact OG-CG1 3.28Å; S523-I526 WeakPolarHBondContact OG-CG1 3.46Å; A524-I526 PolarHBondContact O-N 3.1Å; I526-S528 PolarHBondContact O-N 3.1Å; I526-R529 WeakPolarHBondContact O-CB 3.11Å; I526-R529 PolarHBondContact O-N 2.87Å; I526-F530 HydrophobicContact CG2-CD2 4.23Å; I526-F530 HydrophobicContact CG2-CE2 3.73Å; I526-F530 WeakPolarHBondContact O-CD2 3.25Å
527	M	85.4	Confident	87.3	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-51.7	-50.4	179.3	-70.6	176.5	72	0	0	109.9	L516 K517 L522 S523 A524 R529 F530 F533 W614	L516-M527 HydrophobicContact CB-CE 4.42Å; L516-M527 HydrophobicContact CD2-CE 3.75Å; L516-M527 HydrophobicContact CG-CE 3.89Å; K517-M527 HydrophobicContact CD-SD 3.84Å; L522-M527 HydrophobicContact CB-CG 3.95Å; L522-M527 HydrophobicContact CB-SD 4.41Å; S523-M527 WeakPolarHBondContact O-CG 3.33Å; S523-M527 PolarHBondContact O-N 3.31Å; S523-M527 VanDerWaalsContact O-N 3.1Å; A524-M527 PolarHBondContact O-N 3.29Å; M527-R529 PolarHBondContact O-N 2.83Å; M527-F530 PolarHBondContact O-N 2.95Å; M527-F533 HydrophobicContact CB-CZ 4.19Å; M527-F533 HydrophobicContact CG-CZ 4.48Å; M527-F533 WeakPolarHBondContact O-CE2 3.33Å; M527-F533 WeakPolarHBondContact O-CZ 3.44Å; M527-W614 HydrophobicContact CB-CH2 3.75Å; M527-W614 HydrophobicContact CB-CZ2 4.39Å; M527-W614 HydrophobicContact CB-CZ3 3.84Å; M527-W614 HydrophobicContact CE-CE3 3.93Å; M527-W614 HydrophobicContact CE-CZ3 3.95Å; M527-W614 WeakPolarHBondContact O-CH2 3.28Å
528	S	84.2	Confident	87.6	Confident	16 Å²	16	30.4 Å²	30.4	11%	0.112	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.2	-179.6	68.2	0	0	0	0	117.4	A524 P525 I526 W614 R619	A524-S528 PolarHBondContact O-N 3.09Å; A524-S528 PolarHBondContact O-OG 2.85Å; P525-S528 PolarHBondContact O-N 2.95Å; P525-S528 PolarHBondContact O-OG 3.03Å; I526-S528 PolarHBondContact O-N 3.1Å; S528-W614 VanDerWaalsContact CA-CZ2 3.46Å; S528-R619 VanDerWaalsContact O-CD 3.24Å; S528-R619 WeakPolarHBondContact O-CD 3.36Å; S528-R619 PolarHBondContact OG-NH1 2.93Å
529	R	88.3	Confident	87.6	Confident	23 Å²	23	30 Å²	30	9%	0.087	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.2	172.3	-60.9	-58.6	177	-170.6	5.3	113.5	R387 N391 M477 E478 P525 I526 M527 R619	R387-R529 PolarHBondContact NH1-O 3.44Å; R387-R529 PolarHBondContact NH2-O 2.78Å; N391-R529 PolarHBondContact ND2-O 3.19Å; M477-R529 HydrophobicContact CB-CB 4.43Å; M477-R529 HydrophobicContact CE-CB 3.78Å; M477-R529 HydrophobicContact SD-CB 4.41Å; E478-R529 IonicContact OE1-CZ 2.73Å; E478-R529 IonicContact OE1-NH1 3.67Å; E478-R529 PolarHBondContact OE1-NH1 3.02Å; E478-R529 IonicContact OE1-NH2 3.41Å; E478-R529 PolarHBondContact OE1-NH2 3.12Å; E478-R529 IonicContact OE2-CZ 3.82Å; E478-R529 IonicContact OE2-NE 3.21Å; E478-R529 PolarHBondContact OE2-NE 2.61Å; E478-R529 IonicContact OE2-NH1 3.09Å; E478-R529 PolarHBondContact OE2-NH1 2.91Å; E478-R529 IonicContact OE2-NH2 3.01Å; E478-R529 PolarHBondContact OE2-NH2 3.02Å; P525-R529 WeakPolarHBondContact O-CG 3.3Å; P525-R529 PolarHBondContact O-N 3.19Å; I526-R529 WeakPolarHBondContact O-CB 3.11Å; I526-R529 PolarHBondContact O-N 2.87Å; M527-R529 PolarHBondContact O-N 2.83Å; R529-R619 VanDerWaalsContact NH1-NE 3.13Å; R529-R619 VanDerWaalsContact NH1-NH2 3.1Å
530	F	90.2	Very high	87.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.			trans	-81	130.1	168.2	-73.8	-80.3	0	0	0	108.9	N391 C393 F462 M477 I499 A501 I526 M527 F533	N391-F530 HydrophobicContact CB-CD1 3.75Å; N391-F530 HydrophobicContact CB-CE1 4.22Å; N391-F530 HydrophobicContact CB-CG 4.47Å; C393-F530 HydrophobicContact CB-CB 4.4Å; C393-F530 HydrophobicContact CB-CD1 3.66Å; C393-F530 HydrophobicContact CB-CD2 4.4Å; C393-F530 HydrophobicContact CB-CE1 3.95Å; C393-F530 HydrophobicContact CB-CG 3.91Å; C393-F530 HydrophobicContact CB-CZ 4.44Å; F462-F530 AromaticContact CE1-CE2 3.96Å; F462-F530 HydrophobicContact CE1-CE2 3.96Å; F462-F530 HydrophobicContact CE1-CZ 4.2Å; F462-F530 HydrophobicContact CZ-CE2 4.29Å; F462-F530 HydrophobicContact CZ-CZ 4.35Å; M477-F530 HydrophobicContact CE-CD1 4.3Å; M477-F530 HydrophobicContact CE-CD2 4.12Å; M477-F530 HydrophobicContact CE-CE1 4.07Å; M477-F530 HydrophobicContact CE-CE2 3.88Å; M477-F530 HydrophobicContact CE-CG 4.32Å; M477-F530 HydrophobicContact CE-CZ 3.85Å; M477-F530 HydrophobicContact SD-CE2 4.47Å; I499-F530 HydrophobicContact CG2-CE1 4.18Å; I499-F530 HydrophobicContact CG2-CZ 4.3Å; A501-F530 HydrophobicContact CB-CE1 3.85Å; A501-F530 HydrophobicContact CB-CZ 3.73Å; I526-F530 HydrophobicContact CG2-CD2 4.23Å; I526-F530 HydrophobicContact CG2-CE2 3.73Å; I526-F530 WeakPolarHBondContact O-CD2 3.25Å; M527-F530 PolarHBondContact O-N 2.95Å; F530-F533 HydrophobicContact CB-CD2 4.24Å; F530-F533 HydrophobicContact CB-CE1 4.46Å; F530-F533 HydrophobicContact CB-CE2 3.38Å; F530-F533 HydrophobicContact CB-CZ 3.52Å; F530-F533 HydrophobicContact CD2-CZ 4.03Å; F530-F533 HydrophobicContact CG-CE2 4.37Å; F530-F533 HydrophobicContact CG-CZ 4.03Å
531	D	89.7	Confident	87.7	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-86.2	-31.4	-176.6	-53.9	-53.1	0	0	0	110.4	R387 I390 N391 S623 R626	R387-D531 IonicContact NH2-OD1 2.95Å; R387-D531 PolarHBondContact NH2-OD1 3.45Å; R387-D531 IonicContact NH2-OD2 3.41Å; R387-D531 PolarHBondContact NH2-OD2 3.48Å; I390-D531 VanDerWaalsContact CA-OD2 3.28Å; I390-D531 WeakPolarHBondContact CA-OD2 3.24Å; I390-D531 HydrophobicContact CG2-CB 4.06Å; N391-D531 PolarHBondContact N-OD2 2.9Å; N391-D531 PolarHBondContact O-N 3.5Å; D531-S623 WeakPolarHBondContact CB-OG 3.07Å; D531-S623 PolarHBondContact OD1-OG 3.42Å; D531-R626 IonicContact OD1-CZ 2.84Å; D531-R626 VanDerWaalsContact OD1-CZ 3.27Å; D531-R626 IonicContact OD1-NH1 3.58Å; D531-R626 PolarHBondContact OD1-NH1 3.41Å; D531-R626 IonicContact OD1-NH2 3.93Å; D531-R626 PolarHBondContact OD1-NH2 3.48Å; D531-R626 IonicContact OD2-CZ 3.4Å; D531-R626 IonicContact OD2-NH1 2.59Å; D531-R626 PolarHBondContact OD2-NH1 3.21Å; D531-R626 IonicContact OD2-NH2 3.65Å
532	L	90.4	Very high	87.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.1	178.1	-68.3	173.8	0	0	0	111.5	N391 V392 C393 F534 L627 L651 L652	N391-L532 PolarHBondContact O-N 2.74Å; V392-L532 HydrophobicContact CG2-CB 4.38Å; V392-L532 HydrophobicContact CG2-CD1 4.38Å; C393-L532 PolarHBondContact N-O 3.32Å; L532-F534 HydrophobicContact CB-CE2 4.07Å; L532-F534 HydrophobicContact CB-CZ 4.32Å; L532-F534 HydrophobicContact CD1-CE2 4.14Å; L532-F534 HydrophobicContact CD1-CZ 4.01Å; L532-L627 HydrophobicContact CD1-CD1 4.39Å; L532-L627 HydrophobicContact CD1-CD2 3.77Å; L532-L627 HydrophobicContact CD2-CD1 3.98Å; L532-L627 HydrophobicContact CG-CD1 4.24Å; L532-L627 HydrophobicContact CG-CD2 4.39Å; L532-L651 HydrophobicContact CD1-CD2 4.06Å; L532-L651 HydrophobicContact CD2-CG 4.45Å; L532-L652 HydrophobicContact CD2-CD1 4.19Å
533	F	90.4	Very high	88.2	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.5	166.6	-76.3	-92.9	0	0	0	110	C393 V395 L516 M527 F530 W614 S655	C393-F533 HydrophobicContact CB-CD1 3.83Å; C393-F533 HydrophobicContact CB-CE1 3.72Å; C393-F533 HydrophobicContact CB-CZ 4.31Å; C393-F533 WeakPolarHBondContact O-CA 3.46Å; V395-F533 HydrophobicContact CG2-CD1 4.42Å; L516-F533 HydrophobicContact CD2-CD1 4.31Å; L516-F533 HydrophobicContact CD2-CG 4.46Å; M527-F533 HydrophobicContact CB-CZ 4.19Å; M527-F533 HydrophobicContact CG-CZ 4.48Å; M527-F533 WeakPolarHBondContact O-CE2 3.33Å; M527-F533 WeakPolarHBondContact O-CZ 3.44Å; F530-F533 HydrophobicContact CB-CD2 4.24Å; F530-F533 HydrophobicContact CB-CE1 4.46Å; F530-F533 HydrophobicContact CB-CE2 3.38Å; F530-F533 HydrophobicContact CB-CZ 3.52Å; F530-F533 HydrophobicContact CD2-CZ 4.03Å; F530-F533 HydrophobicContact CG-CE2 4.37Å; F530-F533 HydrophobicContact CG-CZ 4.03Å; F533-W614 HydrophobicContact CD2-CH2 4.28Å; F533-W614 AromaticContact CD2-CZ3 3.75Å; F533-W614 HydrophobicContact CD2-CZ3 3.75Å; F533-W614 AromaticContact CE2-CH2 3.59Å; F533-W614 HydrophobicContact CE2-CH2 3.59Å; F533-W614 AromaticContact CE2-CZ3 3.33Å; F533-W614 HydrophobicContact CE2-CZ3 3.33Å; F533-W614 HydrophobicContact CZ-CH2 4.23Å; F533-W614 AromaticContact CZ-CZ3 3.85Å; F533-W614 HydrophobicContact CZ-CZ3 3.85Å; F533-S655 WeakPolarHBondContact CA-OG 3.34Å; F533-S655 PolarHBondContact N-OG 3.39Å; F533-S655 WeakPolarHBondContact O-CA 3.29Å; F533-S655 WeakPolarHBondContact O-CB 3.48Å; F533-S655 PolarHBondContact O-OG 3.38Å
534	F	91.3	Very high	88.4	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.6	170.5	-65.5	-63.1	0	0	0	109.1	E363 V364 V392 C393 I394 V395 L532 L651	E363-F534 HydrophobicContact CB-CE1 4.27Å; E363-F534 WeakPolarHBondContact O-CZ 3.3Å; V364-F534 HydrophobicContact CB-CD2 4.41Å; V364-F534 HydrophobicContact CB-CG 4.35Å; V364-F534 HydrophobicContact CG1-CD2 4.16Å; V364-F534 HydrophobicContact CG1-CG 4.43Å; V364-F534 HydrophobicContact CG2-CB 3.66Å; V364-F534 HydrophobicContact CG2-CD1 4.06Å; V364-F534 HydrophobicContact CG2-CD2 4.27Å; V364-F534 HydrophobicContact CG2-CG 3.74Å; V392-F534 HydrophobicContact CG1-CD2 3.74Å; V392-F534 HydrophobicContact CG1-CE2 3.79Å; C393-F534 PolarHBondContact O-N 3.29Å; I394-F534 WeakPolarHBondContact CA-O 3.46Å; V395-F534 PolarHBondContact N-O 2.89Å; V395-F534 VanDerWaalsContact O-O 3.12Å; L532-F534 HydrophobicContact CB-CE2 4.07Å; L532-F534 HydrophobicContact CB-CZ 4.32Å; L532-F534 HydrophobicContact CD1-CE2 4.14Å; L532-F534 HydrophobicContact CD1-CZ 4.01Å; F534-L651 HydrophobicContact CE1-CD1 4.11Å; F534-L651 HydrophobicContact CZ-CD1 4.15Å; F534-L651 HydrophobicContact CZ-CG 4.43Å
535	I	88.9	Confident	88.7	Confident	21 Å²	21	48.7 Å²	48.7	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.6	176.1	-61.1	144.9	0	0	0	107.3	V395 Y510 L516 V537 I657	V395-I535 HydrophobicContact CB-CG1 4.38Å; V395-I535 CarbonylContact O-C 3.6Å; V395-I535 VanDerWaalsContact O-CA 3.25Å; V395-I535 WeakPolarHBondContact O-CA 3.45Å; Y510-I535 HydrophobicContact CD1-CG2 3.96Å; Y510-I535 HydrophobicContact CD2-CG2 3.74Å; Y510-I535 HydrophobicContact CE1-CG2 3.9Å; Y510-I535 HydrophobicContact CE2-CD1 4.39Å; Y510-I535 HydrophobicContact CE2-CG1 4.24Å; Y510-I535 HydrophobicContact CE2-CG2 3.66Å; Y510-I535 HydrophobicContact CG-CG2 3.89Å; L516-I535 HydrophobicContact CD1-CD1 3.79Å; L516-I535 HydrophobicContact CD1-CG1 4.13Å; I535-V537 HydrophobicContact CG2-CG2 4.02Å; I535-I657 HydrophobicContact CB-CD1 3.6Å; I535-I657 HydrophobicContact CD1-CB 4.06Å; I535-I657 HydrophobicContact CD1-CD1 3.55Å; I535-I657 HydrophobicContact CD1-CG1 3.82Å; I535-I657 HydrophobicContact CG1-CD1 4.17Å; I535-I657 HydrophobicContact CG2-CD1 4.13Å
536	L	89	Confident	89	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	109.4	175.5	-60.6	-179.9	0	0	0	107.9	N361 V364 I394 V395 G396 D397 K402	N361-L536 HydrophobicContact CB-CD2 4.11Å; N361-L536 WeakPolarHBondContact ND2-CD2 3.39Å; N361-L536 WeakPolarHBondContact OD1-CD2 3.49Å; V364-L536 HydrophobicContact CG2-CD2 3.81Å; I394-L536 HydrophobicContact CG2-CD1 3.73Å; I394-L536 HydrophobicContact CG2-CG 4.15Å; V395-L536 PolarHBondContact O-N 3.3Å; G396-L536 WeakPolarHBondContact CA-O 3.26Å; D397-L536 PolarHBondContact N-O 3.27Å; K402-L536 HydrophobicContact CG-CD1 4.06Å
537	V	87.8	Confident	89.1	Confident	48 Å²	48	55.5 Å²	55.5	29%	0.291	29%	0.293	S	S	.	.			trans	-97.7	129.6	173.6	-174.7	0	0	0	0	107.7	Y510 I535 E539	Y510-V537 HydrophobicContact CD1-CG2 4.05Å; Y510-V537 HydrophobicContact CG-CG2 4.48Å; I535-V537 HydrophobicContact CG2-CG2 4.02Å; V537-E539 HydrophobicContact CG1-CG 4.47Å; V537-E539 PolarHBondContact O-N 2.82Å
538	D	88.2	Confident	89.3	Confident	88 Å²	88	58.7 Å²	58.7	47%	0.471	31%	0.31	S	S	.	.			trans	-83.4	101.3	174.7	-166.7	17.1	0	0	0	109.1	D397 T400	D397-D538 HydrophobicContact CB-CB 3.95Å; D397-D538 PolarHBondContact OD2-N 3.44Å; T400-D538 HydrophobicContact CG2-CB 4.02Å
539	E	86.4	Confident	89.6	Confident	114 Å²	114	60.3 Å²	60.3	53%	0.533	32%	0.324	S	S	.	.			trans	-96.7	119.5	170.9	-71.1	-175	175.9	0	0	108.7	R512 V537 N541	R512-E539 IonicContact CZ-OE1 3.57Å; R512-E539 IonicContact NH1-OE1 3.46Å; R512-E539 PolarHBondContact NH1-OE1 3.22Å; R512-E539 IonicContact NH2-OE1 2.8Å; R512-E539 PolarHBondContact NH2-OE1 2.58Å; V537-E539 HydrophobicContact CG1-CG 4.47Å; V537-E539 PolarHBondContact O-N 2.82Å; E539-N541 PolarHBondContact O-N 3.25Å
540	C	86.1	Confident	89.7	Confident	125 Å²	125	67.2 Å²	67.2	85%	0.845	35%	0.35	S	S	*	.			trans	-62	96	176.4	-58.5	0	0	0	0	110.2
541	N	89.7	Confident	89.4	Confident	73 Å²	73	70.1 Å²	70.1	39%	0.39	36%	0.361	S	S	.	.			trans	-126.6	117.8	-179.6	-177.9	-19	0	0	0	109.7	E539 V543 T544 D545	E539-N541 PolarHBondContact O-N 3.25Å; N541-V543 PolarHBondContact O-N 2.65Å; N541-V543 VanDerWaalsContact O-N 3.12Å; N541-V543 PolarHBondContact OD1-N 2.9Å; N541-V543 VanDerWaalsContact OD1-N 3.09Å; N541-T544 WeakPolarHBondContact CB-OG1 3.43Å; N541-T544 PolarHBondContact O-N 2.9Å; N541-T544 VanDerWaalsContact O-N 3.16Å; N541-T544 PolarHBondContact O-OG1 2.69Å; N541-D545 VanDerWaalsContact O-CG 3.3Å; N541-D545 PolarHBondContact O-N 3.27Å
542	E	91.5	Very high	89.3	Confident	173 Å²	173	74 Å²	74	81%	0.808	38%	0.381	S	S	*	.	H	α-helix	trans	-57.8	-32.6	-175	-61.8	-173.9	170.5	0	0	112.8	Y546	E542-Y546 VanDerWaalsContact O-CB 3.27Å; E542-Y546 WeakPolarHBondContact O-CB 3.15Å; E542-Y546 PolarHBondContact O-N 3.21Å
543	V	92.3	Very high	89.3	Confident	111 Å²	111	78.1 Å²	78.1	67%	0.673	41%	0.406	S	S	*	.	H	α-helix	trans	-69.9	-44	-178.7	-177.9	0	0	0	0	111.1	N541 A547	N541-V543 PolarHBondContact O-N 2.65Å; N541-V543 VanDerWaalsContact O-N 3.12Å; N541-V543 PolarHBondContact OD1-N 2.9Å; N541-V543 VanDerWaalsContact OD1-N 3.09Å; V543-A547 PolarHBondContact O-N 3.14Å; V543-A547 VanDerWaalsContact O-N 3.1Å
544	T	88.7	Confident	89.1	Confident	50 Å²	50	79.1 Å²	79.1	31%	0.307	41%	0.412	S	S	.	.	H	α-helix	trans	-69.5	-39.6	178.3	49	0	0	0	0	110.8	N541 Y546 A547 I548	N541-T544 WeakPolarHBondContact CB-OG1 3.43Å; N541-T544 PolarHBondContact O-N 2.9Å; N541-T544 VanDerWaalsContact O-N 3.16Å; N541-T544 PolarHBondContact O-OG1 2.69Å; T544-Y546 VanDerWaalsContact C-N 3.34Å; T544-Y546 PolarHBondContact O-N 2.89Å; T544-A547 WeakPolarHBondContact O-CB 3.42Å; T544-A547 PolarHBondContact O-N 3.47Å; T544-I548 WeakPolarHBondContact O-CB 3.09Å; T544-I548 WeakPolarHBondContact O-CD1 3.47Å; T544-I548 VanDerWaalsContact O-CG1 3.22Å; T544-I548 WeakPolarHBondContact O-CG1 3.46Å; T544-I548 PolarHBondContact O-N 2.83Å
545	D	90.4	Very high	88.8	Confident	76 Å²	76	82.2 Å²	82.2	41%	0.406	43%	0.429	S	S	.	.	H	α-helix	trans	-65	-41	179.1	-68.7	-2.5	0	0	0	111.1	N541 A547 I548 A549	N541-D545 VanDerWaalsContact O-CG 3.3Å; N541-D545 PolarHBondContact O-N 3.27Å; D545-A547 PolarHBondContact O-N 3.32Å; D545-I548 PolarHBondContact O-N 2.82Å; D545-A549 VanDerWaalsContact O-CB 3.23Å; D545-A549 WeakPolarHBondContact O-CB 3.24Å; D545-A549 PolarHBondContact O-N 2.76Å
546	Y	92.3	Very high	88.6	Confident	177 Å²	177	87.7 Å²	87.7	69%	0.694	45%	0.453	S	S	*	.	H	α-helix	trans	-63.2	-41.6	174.1	-164.3	-92.2	0	0	0	112	E542 T544 A549 R550	E542-Y546 VanDerWaalsContact O-CB 3.27Å; E542-Y546 WeakPolarHBondContact O-CB 3.15Å; E542-Y546 PolarHBondContact O-N 3.21Å; T544-Y546 VanDerWaalsContact C-N 3.34Å; T544-Y546 PolarHBondContact O-N 2.89Å; Y546-A549 PolarHBondContact O-N 3.04Å; Y546-R550 WeakPolarHBondContact O-CB 3.45Å; Y546-R550 PolarHBondContact O-N 3.18Å
547	A	89.2	Confident	88.4	Confident	30 Å²	30	91.3 Å²	91.3	25%	0.248	48%	0.479	C	S	.	.	H	α-helix	trans	-64.6	-42.5	176.3	0	0	0	0	0	112.2	V543 T544 D545 R551	V543-A547 PolarHBondContact O-N 3.14Å; V543-A547 VanDerWaalsContact O-N 3.1Å; T544-A547 WeakPolarHBondContact O-CB 3.42Å; T544-A547 PolarHBondContact O-N 3.47Å; D545-A547 PolarHBondContact O-N 3.32Å; A547-R551 PolarHBondContact O-N 2.86Å
548	I	89.8	Confident	88	Confident	74 Å²	74	94 Å²	94	38%	0.379	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-48.5	175.9	-68.3	163.5	0	0	0	110.1	H359 T544 D545 R550 R551 I552	H359-I548 HydrophobicContact CB-CG1 4.49Å; T544-I548 WeakPolarHBondContact O-CB 3.09Å; T544-I548 WeakPolarHBondContact O-CD1 3.47Å; T544-I548 VanDerWaalsContact O-CG1 3.22Å; T544-I548 WeakPolarHBondContact O-CG1 3.46Å; T544-I548 PolarHBondContact O-N 2.83Å; D545-I548 PolarHBondContact O-N 2.82Å; I548-R550 VanDerWaalsContact C-N 3.34Å; I548-R550 PolarHBondContact O-N 3.44Å; I548-R551 PolarHBondContact O-N 3.14Å; I548-R551 VanDerWaalsContact O-N 3.08Å; I548-I552 HydrophobicContact CG2-CD1 3.75Å; I548-I552 HydrophobicContact CG2-CG1 4.38Å; I548-I552 WeakPolarHBondContact O-CG1 3.34Å; I548-I552 PolarHBondContact O-N 3.07Å
549	A	90.6	Very high	87	Confident	50 Å²	50	96.6 Å²	96.6	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-58.2	-46.2	178.8	0	0	0	0	0	111.2	D545 Y546 R551 I552 V553	D545-A549 VanDerWaalsContact O-CB 3.23Å; D545-A549 WeakPolarHBondContact O-CB 3.24Å; D545-A549 PolarHBondContact O-N 2.76Å; Y546-A549 PolarHBondContact O-N 3.04Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.28Å; A549-I552 PolarHBondContact O-N 3.01Å; A549-V553 VanDerWaalsContact O-CG2 3.28Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.21Å
550	R	89.9	Confident	85.9	Confident	168 Å²	168	100.2 Å²	100.2	63%	0.634	51%	0.514	S	S	*	.	H	α-helix	trans	-57.8	-44.2	174.7	-175.4	177.4	179.1	175.3	1.6	111.5	Y546 I548 I552 V553 D554	Y546-R550 WeakPolarHBondContact O-CB 3.45Å; Y546-R550 PolarHBondContact O-N 3.18Å; I548-R550 VanDerWaalsContact C-N 3.34Å; I548-R550 PolarHBondContact O-N 3.44Å; R550-I552 PolarHBondContact O-N 3.15Å; R550-V553 PolarHBondContact O-N 2.65Å; R550-D554 WeakPolarHBondContact O-CB 3.06Å; R550-D554 PolarHBondContact O-N 3.21Å
551	R	85.5	Confident	84.8	Confident	61 Å²	61	101.7 Å²	101.7	23%	0.23	51%	0.508	C	S	.	.	H	α-helix	trans	-65.2	-38.8	179.6	-166.8	61.2	175.4	149.6	5.2	112.4	P356 A547 I548 A549 D554 L555 S562	P356-R551 VanDerWaalsContact O-CZ 3.22Å; P356-R551 PolarHBondContact O-NE 3.32Å; P356-R551 PolarHBondContact O-NH2 3.05Å; A547-R551 PolarHBondContact O-N 2.86Å; I548-R551 PolarHBondContact O-N 3.14Å; I548-R551 VanDerWaalsContact O-N 3.08Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.28Å; R551-D554 PolarHBondContact O-N 2.98Å; R551-L555 WeakPolarHBondContact O-CB 3.48Å; R551-L555 PolarHBondContact O-N 3.23Å; R551-S562 PolarHBondContact NH1-O 3.12Å; R551-S562 PolarHBondContact NH2-O 3.08Å
552	I	86.9	Confident	83.2	Confident	86 Å²	86	98.9 Å²	98.9	44%	0.441	49%	0.494	S	S	.	.	H	α-helix	trans	-66.7	-44.5	176.2	-66.4	169.4	0	0	0	110.7	I548 A549 R550 D554 L555 H556	I548-I552 HydrophobicContact CG2-CD1 3.75Å; I548-I552 HydrophobicContact CG2-CG1 4.38Å; I548-I552 WeakPolarHBondContact O-CG1 3.34Å; I548-I552 PolarHBondContact O-N 3.07Å; A549-I552 PolarHBondContact O-N 3.01Å; R550-I552 PolarHBondContact O-N 3.15Å; I552-D554 VanDerWaalsContact C-N 3.32Å; I552-D554 PolarHBondContact O-N 3.21Å; I552-L555 PolarHBondContact O-N 2.66Å; I552-H556 PolarHBondContact O-N 2.64Å; I552-H556 PolarHBondContact O-ND1 2.98Å
553	V	90	Very high	82	Confident	86 Å²	86	93.4 Å²	93.4	52%	0.521	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177	171.9	0	0	0	0	110.6	A549 R550 L555 H556 S557	A549-V553 VanDerWaalsContact O-CG2 3.28Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.21Å; R550-V553 PolarHBondContact O-N 2.65Å; V553-L555 VanDerWaalsContact C-N 3.34Å; V553-L555 PolarHBondContact O-N 3.22Å; V553-H556 PolarHBondContact O-N 3.38Å; V553-S557 VanDerWaalsContact O-CB 3.23Å; V553-S557 WeakPolarHBondContact O-CB 3.39Å; V553-S557 PolarHBondContact O-N 3.41Å; V553-S557 PolarHBondContact O-OG 3.47Å
554	D	86.8	Confident	81	Confident	30 Å²	30	96 Å²	96	16%	0.16	48%	0.48	C	S	.	.	H	α-helix	trans	-60.1	-43.7	176.1	-75.3	-22.4	0	0	0	111.7	R550 R551 I552 H556 S557 R558	R550-D554 WeakPolarHBondContact O-CB 3.06Å; R550-D554 PolarHBondContact O-N 3.21Å; R551-D554 PolarHBondContact O-N 2.98Å; I552-D554 VanDerWaalsContact C-N 3.32Å; I552-D554 PolarHBondContact O-N 3.21Å; D554-H556 PolarHBondContact O-N 3.49Å; D554-S557 PolarHBondContact O-N 3.2Å; D554-R558 WeakPolarHBondContact O-CB 3.46Å; D554-R558 PolarHBondContact O-N 2.91Å; D554-R558 IonicContact OD1-CZ 3.74Å; D554-R558 IonicContact OD1-NH1 3.56Å; D554-R558 IonicContact OD1-NH2 3.19Å; D554-R558 PolarHBondContact OD1-NH2 3.27Å; D554-R558 IonicContact OD2-NH2 3.88Å; D554-R558 PolarHBondContact OD2-NH2 3.05Å
555	L	84.3	Confident	80.7	Confident	77 Å²	77	98.7 Å²	98.7	40%	0.403	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-40.7	177.9	-176.7	66.5	0	0	0	112.3	T357 R551 I552 V553	T357-L555 HydrophobicContact CG2-CD1 4.35Å; R551-L555 WeakPolarHBondContact O-CB 3.48Å; R551-L555 PolarHBondContact O-N 3.23Å; I552-L555 PolarHBondContact O-N 2.66Å; V553-L555 VanDerWaalsContact C-N 3.34Å; V553-L555 PolarHBondContact O-N 3.22Å
556	H	84.8	Confident	80.5	Confident	135 Å²	135	99.9 Å²	99.9	63%	0.625	49%	0.494	S	S	*	.	H	α-helix	trans	-78	-30.7	179.7	-72.8	77.5	0	0	0	113	I552 V553 D554	I552-H556 PolarHBondContact O-N 2.64Å; I552-H556 PolarHBondContact O-ND1 2.98Å; V553-H556 PolarHBondContact O-N 3.38Å; D554-H556 PolarHBondContact O-N 3.49Å
557	S	85.7	Confident	80.4	Confident	85 Å²	85	92 Å²	92	59%	0.594	46%	0.463	S	S	*	.	H	α-helix	trans	-81.6	-35	-179.3	-54.3	0	0	0	0	112.1	V553 D554	V553-S557 VanDerWaalsContact O-CB 3.23Å; V553-S557 WeakPolarHBondContact O-CB 3.39Å; V553-S557 PolarHBondContact O-N 3.41Å; V553-S557 PolarHBondContact O-OG 3.47Å; D554-S557 PolarHBondContact O-N 3.2Å
558	R	79.9	Confident	80.4	Confident	105 Å²	105	93 Å²	93	40%	0.396	47%	0.469	S	S	.	.	S	Bend	trans	-118.8	73.6	-178.3	-69.6	-173.8	-69.9	-101.9	0.9	109.7	D554 E560 E561 S562	D554-R558 WeakPolarHBondContact O-CB 3.46Å; D554-R558 PolarHBondContact O-N 2.91Å; D554-R558 IonicContact OD1-CZ 3.74Å; D554-R558 IonicContact OD1-NH1 3.56Å; D554-R558 IonicContact OD1-NH2 3.19Å; D554-R558 PolarHBondContact OD1-NH2 3.27Å; D554-R558 IonicContact OD2-NH2 3.88Å; D554-R558 PolarHBondContact OD2-NH2 3.05Å; R558-E560 PolarHBondContact O-N 3.42Å; R558-E561 HydrophobicContact CB-CB 4.32Å; R558-E561 PolarHBondContact O-N 2.72Å; R558-S562 WeakPolarHBondContact O-CB 3.48Å; R558-S562 PolarHBondContact O-OG 3.15Å
559	I	66.5	Low	80.3	Confident	143 Å²	143	91.5 Å²	91.5	73%	0.733	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.3	-171.6	-60.2	147.5	0	0	0	112.4
560	E	63.3	Low	80.1	Confident	190 Å²	190	92.2 Å²	92.2	89%	0.888	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-17.8	179.3	-63.3	-176.2	170.5	0	0	114.7	R558	R558-E560 PolarHBondContact O-N 3.42Å
561	E	62.3	Low	80.1	Confident	156 Å²	156	85.8 Å²	85.8	73%	0.729	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.6	-171.7	-65.1	-179	165.4	0	0	115.5	R558 I563	R558-E561 HydrophobicContact CB-CB 4.32Å; R558-E561 PolarHBondContact O-N 2.72Å; E561-I563 PolarHBondContact O-N 3.02Å
562	S	55.8	Low	80.3	Confident	13 Å²	13	83.3 Å²	83.3	9%	0.091	43%	0.428	C	S	.	.			trans	-86.8	7.5	-166.8	53.4	0	0	0	0	116.8	R551 R558	R551-S562 PolarHBondContact NH1-O 3.12Å; R551-S562 PolarHBondContact NH2-O 3.08Å; R558-S562 WeakPolarHBondContact O-CB 3.48Å; R558-S562 PolarHBondContact O-OG 3.15Å
563	I	66.1	Low	80.3	Confident	58 Å²	58	83.2 Å²	83.2	30%	0.297	42%	0.422	S	S	.	.			trans	-126.1	73.4	-174.4	-53.3	177.3	0	0	0	110.6	P356 T357 E561 R565	P356-I563 HydrophobicContact CB-CG2 3.59Å; P356-I563 HydrophobicContact CG-CD1 4.23Å; P356-I563 HydrophobicContact CG-CG1 4.39Å; P356-I563 HydrophobicContact CG-CG2 3.35Å; T357-I563 HydrophobicContact CG2-CD1 3.98Å; E561-I563 PolarHBondContact O-N 3.02Å; I563-R565 HydrophobicContact CG2-CB 4.45Å; I563-R565 HydrophobicContact CG2-CG 4.47Å; I563-R565 PolarHBondContact O-N 3.31Å
564	D	72	Confident	80.2	Confident	165 Å²	165	81.1 Å²	81.1	88%	0.882	40%	0.404	S	S	*	.			trans	-67.8	115.5	160.3	-72.7	-28.8	0	0	0	108.2
565	R	82.6	Confident	80.3	Confident	108 Å²	108	79.7 Å²	79.7	41%	0.408	40%	0.397	S	S	.	.			trans	-127	139	177.1	53.7	-175.5	155.6	-155.4	-5.8	109.6	I563 Y567 L569	I563-R565 HydrophobicContact CG2-CB 4.45Å; I563-R565 HydrophobicContact CG2-CG 4.47Å; I563-R565 PolarHBondContact O-N 3.31Å; R565-Y567 VanDerWaalsContact C-N 3.33Å; R565-Y567 WeakPolarHBondContact CD-O 3.49Å; R565-Y567 WeakPolarHBondContact CG-O 3.41Å; R565-L569 VanDerWaalsContact NH1-CD1 3.33Å; R565-L569 VanDerWaalsContact NH1-CG 3.28Å
566	V	85.8	Confident	80.6	Confident	101 Å²	101	77.1 Å²	77.1	61%	0.612	38%	0.383	S	S	*	.	S	Bend	trans	-66.1	-39.7	178.9	-175	0	0	0	0	110.9
567	Y	89.9	Confident	80.6	Confident	10 Å²	10	72.8 Å²	72.8	4%	0.039	36%	0.364	C	S	.	.	S	Bend	trans	-118.2	136.3	179.6	-57	-50.7	0	0	0	110.4	M340 D343 L346 N349 L350 R565	M340-Y567 HydrophobicContact CG-CD1 3.97Å; M340-Y567 HydrophobicContact CG-CE1 3.63Å; M340-Y567 HydrophobicContact SD-CD1 3.88Å; M340-Y567 HydrophobicContact SD-CE1 4.17Å; M340-Y567 HydrophobicContact SD-CG 4.11Å; D343-Y567 PolarHBondContact OD2-OH 3.37Å; L346-Y567 HydrophobicContact CD1-CE2 4.15Å; N349-Y567 HydrophobicContact CB-CD2 4.26Å; N349-Y567 HydrophobicContact CB-CE2 3.63Å; L350-Y567 HydrophobicContact CD2-CD2 4.07Å; R565-Y567 VanDerWaalsContact C-N 3.33Å; R565-Y567 WeakPolarHBondContact CD-O 3.49Å; R565-Y567 WeakPolarHBondContact CG-O 3.41Å
568	S	90.1	Very high	80.7	Confident	52 Å²	52	69.4 Å²	69.4	36%	0.364	34%	0.339	S	S	.	.			trans	-71.3	149.2	172.6	-175.8	0	0	0	0	110.3	D570 D571 I572	S568-D570 PolarHBondContact O-N 3.15Å; S568-D571 WeakPolarHBondContact CB-OD2 3.46Å; S568-D571 PolarHBondContact O-N 2.96Å; S568-D571 VanDerWaalsContact O-N 3.11Å; S568-I572 WeakPolarHBondContact O-CG1 3.43Å; S568-I572 PolarHBondContact O-N 2.83Å
569	L	87.4	Confident	81.2	Confident	42 Å²	42	64.4 Å²	64.4	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-33.6	176.8	-66.8	174.5	0	0	0	112	L354 F412 R565 I572 R573	L354-L569 HydrophobicContact CD1-CD2 4.09Å; F412-L569 HydrophobicContact CD2-CD2 4.04Å; F412-L569 HydrophobicContact CE2-CD2 4.3Å; R565-L569 VanDerWaalsContact NH1-CD1 3.33Å; R565-L569 VanDerWaalsContact NH1-CG 3.28Å; L569-I572 HydrophobicContact CD2-CD1 4.48Å; L569-I572 PolarHBondContact O-N 2.93Å; L569-R573 WeakPolarHBondContact O-CG 3.24Å; L569-R573 PolarHBondContact O-N 3.29Å
570	D	86.4	Confident	82.1	Confident	66 Å²	66	61.9 Å²	61.9	35%	0.353	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-39.9	179.2	-151.8	45.3	0	0	0	111.6	S568 I572 R573 R574	S568-D570 PolarHBondContact O-N 3.15Å; D570-I572 VanDerWaalsContact C-N 3.34Å; D570-I572 PolarHBondContact O-N 3.34Å; D570-R573 PolarHBondContact O-N 3.28Å; D570-R574 WeakPolarHBondContact O-CG 3.41Å; D570-R574 PolarHBondContact O-N 2.92Å; D570-R574 IonicContact OD2-CZ 3.62Å; D570-R574 VanDerWaalsContact OD2-CZ 3.29Å; D570-R574 IonicContact OD2-NE 3.43Å; D570-R574 IonicContact OD2-NH2 3.46Å; D570-R574 PolarHBondContact OD2-NH2 3.43Å
571	D	89.6	Confident	83.2	Confident	32 Å²	32	54.5 Å²	54.5	17%	0.171	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-41.2	175.1	-57.6	-28.2	0	0	0	111	M340 S568 R574 Y575	M340-D571 HydrophobicContact CE-CB 4.2Å; M340-D571 HydrophobicContact SD-CB 4.35Å; S568-D571 WeakPolarHBondContact CB-OD2 3.46Å; S568-D571 PolarHBondContact O-N 2.96Å; S568-D571 VanDerWaalsContact O-N 3.11Å; D571-R574 PolarHBondContact O-N 3.46Å; D571-R574 IonicContact OD1-CZ 3.95Å; D571-R574 IonicContact OD1-NH1 2.65Å; D571-R574 PolarHBondContact OD1-NH1 3.38Å; D571-Y575 WeakPolarHBondContact O-CB 3.35Å; D571-Y575 PolarHBondContact O-N 3.45Å
572	I	90.5	Very high	84.5	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-41.9	176.8	-57.7	168.1	0	0	0	110.7	L350 S353 F412 S568 L569 D570 R574 Y575 L576	L350-I572 HydrophobicContact CD2-CD1 4.39Å; L350-I572 HydrophobicContact CD2-CG1 3.95Å; L350-I572 HydrophobicContact CD2-CG2 4.05Å; S353-I572 WeakPolarHBondContact OG-CD1 3.12Å; F412-I572 HydrophobicContact CE2-CB 4.22Å; F412-I572 HydrophobicContact CE2-CG2 4.09Å; F412-I572 HydrophobicContact CZ-CB 4.26Å; F412-I572 HydrophobicContact CZ-CG2 3.7Å; S568-I572 WeakPolarHBondContact O-CG1 3.43Å; S568-I572 PolarHBondContact O-N 2.83Å; L569-I572 HydrophobicContact CD2-CD1 4.48Å; L569-I572 PolarHBondContact O-N 2.93Å; D570-I572 VanDerWaalsContact C-N 3.34Å; D570-I572 PolarHBondContact O-N 3.34Å; I572-R574 VanDerWaalsContact C-N 3.34Å; I572-R574 PolarHBondContact O-N 3.36Å; I572-Y575 PolarHBondContact O-N 3.18Å; I572-L576 VanDerWaalsContact O-CB 3.28Å; I572-L576 WeakPolarHBondContact O-CB 3.28Å; I572-L576 PolarHBondContact O-N 3.1Å
573	R	87.5	Confident	86.1	Confident	84 Å²	84	55.4 Å²	55.4	32%	0.317	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-43.7	175.7	-74.5	179.7	-170.4	125.7	-2.7	111.4	E411 F412 L569 D570 L576 L577	E411-R573 PolarHBondContact O-NH2 3.42Å; F412-R573 HydrophobicContact CD2-CG 4.2Å; F412-R573 HydrophobicContact CE2-CG 3.55Å; F412-R573 HydrophobicContact CZ-CG 3.82Å; F412-R573 PolarHBondContact O-NE 2.82Å; L569-R573 WeakPolarHBondContact O-CG 3.24Å; L569-R573 PolarHBondContact O-N 3.29Å; D570-R573 PolarHBondContact O-N 3.28Å; R573-L576 PolarHBondContact O-N 3.38Å; R573-L577 PolarHBondContact O-N 3.24Å
574	R	86.2	Confident	87.4	Confident	41 Å²	41	52.9 Å²	52.9	16%	0.155	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-45	176.8	-67.4	-175.5	-148.2	124.6	-3.9	111.6	F310 M329 E333 D570 D571 I572 L576 L577 F578	F310-R574 HydrophobicContact CE1-CG 4.14Å; F310-R574 HydrophobicContact CE2-CG 4.47Å; F310-R574 HydrophobicContact CZ-CB 4.12Å; F310-R574 HydrophobicContact CZ-CG 3.79Å; M329-R574 HydrophobicContact CE-CB 4.37Å; E333-R574 IonicContact OE1-CZ 2.98Å; E333-R574 IonicContact OE1-NE 3.78Å; E333-R574 IonicContact OE1-NH2 2.98Å; D570-R574 WeakPolarHBondContact O-CG 3.41Å; D570-R574 PolarHBondContact O-N 2.92Å; D570-R574 IonicContact OD2-CZ 3.62Å; D570-R574 VanDerWaalsContact OD2-CZ 3.29Å; D570-R574 IonicContact OD2-NE 3.43Å; D570-R574 IonicContact OD2-NH2 3.46Å; D570-R574 PolarHBondContact OD2-NH2 3.43Å; D571-R574 PolarHBondContact O-N 3.46Å; D571-R574 IonicContact OD1-CZ 3.95Å; D571-R574 IonicContact OD1-NH1 2.65Å; D571-R574 PolarHBondContact OD1-NH1 3.38Å; I572-R574 VanDerWaalsContact C-N 3.34Å; I572-R574 PolarHBondContact O-N 3.36Å; R574-L576 PolarHBondContact O-N 3.45Å; R574-L577 PolarHBondContact O-N 3.17Å; R574-F578 PolarHBondContact O-N 3.17Å; R574-F578 VanDerWaalsContact O-N 3.09Å
575	Y	90.5	Very high	88.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176	-172.2	-95.7	0	0	0	112.1	V337 M340 L346 F373 D571 I572 L577 F578 A579 M634 C636	V337-Y575 HydrophobicContact CG1-CD2 4.01Å; V337-Y575 HydrophobicContact CG1-CE2 4.47Å; M340-Y575 HydrophobicContact CB-CD2 3.89Å; M340-Y575 HydrophobicContact CB-CE2 3.94Å; M340-Y575 HydrophobicContact CE-CD2 3.83Å; M340-Y575 HydrophobicContact CE-CG 4.1Å; L346-Y575 HydrophobicContact CD2-CE1 3.96Å; L346-Y575 VanDerWaalsContact CD2-OH 3.29Å; L346-Y575 WeakPolarHBondContact CD2-OH 3.33Å; F373-Y575 HydrophobicContact CE1-CD1 4.14Å; F373-Y575 HydrophobicContact CE1-CE1 4.07Å; F373-Y575 HydrophobicContact CZ-CD1 4.04Å; F373-Y575 AromaticContact CZ-CE1 4Å; F373-Y575 HydrophobicContact CZ-CE1 4Å; D571-Y575 WeakPolarHBondContact O-CB 3.35Å; D571-Y575 PolarHBondContact O-N 3.45Å; I572-Y575 PolarHBondContact O-N 3.18Å; Y575-L577 PolarHBondContact O-N 3.16Å; Y575-F578 PolarHBondContact O-N 3.26Å; Y575-A579 HydrophobicContact CD1-CB 4.48Å; Y575-A579 HydrophobicContact CE1-CB 4.27Å; Y575-A579 VanDerWaalsContact O-CB 3.24Å; Y575-A579 WeakPolarHBondContact O-CB 3.37Å; Y575-A579 PolarHBondContact O-N 3.22Å; Y575-M634 WeakPolarHBondContact CE1-O 3.49Å; Y575-M634 PolarHBondContact OH-O 2.95Å; Y575-C636 PolarHBondContact OH-SG 3.15Å
576	L	89.7	Confident	88.9	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-43.9	178.8	-177.3	158.9	0	0	0	111.3	L372 F412 I572 R573 R574 F578 A579 R580	L372-L576 HydrophobicContact CB-CD1 3.92Å; F412-L576 HydrophobicContact CE1-CD1 3.95Å; F412-L576 HydrophobicContact CZ-CD1 4.39Å; I572-L576 VanDerWaalsContact O-CB 3.28Å; I572-L576 WeakPolarHBondContact O-CB 3.28Å; I572-L576 PolarHBondContact O-N 3.1Å; R573-L576 PolarHBondContact O-N 3.38Å; R574-L576 PolarHBondContact O-N 3.45Å; L576-F578 PolarHBondContact O-N 3.38Å; L576-A579 PolarHBondContact O-N 2.8Å; L576-R580 VanDerWaalsContact CD2-CD 3.41Å; L576-R580 HydrophobicContact CD2-CG 4.15Å; L576-R580 WeakPolarHBondContact O-CB 3.16Å; L576-R580 VanDerWaalsContact O-CG 3.27Å; L576-R580 WeakPolarHBondContact O-CG 3.37Å; L576-R580 PolarHBondContact O-N 3.46Å
577	L	84.9	Confident	89.3	Confident	44 Å²	44	46.5 Å²	46.5	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-45.3	178	-174.7	66.4	0	0	0	111.4	F310 L315 I325 R573 R574 Y575	F310-L577 HydrophobicContact CD2-CD2 3.81Å; F310-L577 HydrophobicContact CE1-CD2 4.22Å; F310-L577 HydrophobicContact CE2-CB 4.28Å; F310-L577 HydrophobicContact CE2-CD2 3.17Å; F310-L577 HydrophobicContact CE2-CG 4.33Å; F310-L577 HydrophobicContact CZ-CB 4.19Å; F310-L577 HydrophobicContact CZ-CD2 3.4Å; F310-L577 HydrophobicContact CZ-CG 4.37Å; L315-L577 HydrophobicContact CD1-CD2 4.46Å; I325-L577 HydrophobicContact CD1-CD2 3.9Å; I325-L577 HydrophobicContact CD1-CG 3.83Å; R573-L577 PolarHBondContact O-N 3.24Å; R574-L577 PolarHBondContact O-N 3.17Å; Y575-L577 PolarHBondContact O-N 3.16Å
578	F	87.7	Confident	89.5	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-48.9	177.3	176.8	-108.5	0	0	0	112	A322 W334 V337 R574 Y575 L576 R580 Q581 F582	A322-F578 HydrophobicContact CB-CE2 4.24Å; W334-F578 HydrophobicContact CH2-CE1 4.22Å; W334-F578 HydrophobicContact CH2-CE2 4.05Å; W334-F578 AromaticContact CH2-CZ 3.6Å; W334-F578 HydrophobicContact CH2-CZ 3.6Å; W334-F578 HydrophobicContact CZ3-CD2 4.24Å; W334-F578 HydrophobicContact CZ3-CE1 4.06Å; W334-F578 AromaticContact CZ3-CE2 3.65Å; W334-F578 HydrophobicContact CZ3-CE2 3.65Å; W334-F578 AromaticContact CZ3-CZ 3.56Å; W334-F578 HydrophobicContact CZ3-CZ 3.56Å; V337-F578 HydrophobicContact CG1-CD1 3.7Å; V337-F578 HydrophobicContact CG1-CE1 4.17Å; V337-F578 HydrophobicContact CG1-CG 4.22Å; R574-F578 PolarHBondContact O-N 3.17Å; R574-F578 VanDerWaalsContact O-N 3.09Å; Y575-F578 PolarHBondContact O-N 3.26Å; L576-F578 PolarHBondContact O-N 3.38Å; F578-R580 VanDerWaalsContact C-N 3.31Å; F578-R580 PolarHBondContact O-N 2.81Å; F578-Q581 WeakPolarHBondContact O-CB 3.48Å; F578-Q581 PolarHBondContact O-N 3.11Å; F578-F582 HydrophobicContact CD1-CE2 4.09Å; F578-F582 AromaticContact CE1-CE2 3.59Å; F578-F582 HydrophobicContact CE1-CE2 3.59Å; F578-F582 AromaticContact CE1-CZ 3.96Å; F578-F582 HydrophobicContact CE1-CZ 3.96Å; F578-F582 HydrophobicContact CE2-CE2 4.28Å; F578-F582 HydrophobicContact CE2-CZ 4.48Å; F578-F582 AromaticContact CZ-CE2 3.68Å; F578-F582 HydrophobicContact CZ-CE2 3.68Å; F578-F582 AromaticContact CZ-CZ 3.72Å; F578-F582 HydrophobicContact CZ-CZ 3.72Å
579	A	89.8	Confident	89.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-32.3	-178.2	0	0	0	0	0	113.5	F373 Y575 L576 Q581 F582	F373-A579 HydrophobicContact CD1-CB 3.91Å; F373-A579 HydrophobicContact CE1-CB 3.56Å; Y575-A579 HydrophobicContact CD1-CB 4.48Å; Y575-A579 HydrophobicContact CE1-CB 4.27Å; Y575-A579 VanDerWaalsContact O-CB 3.24Å; Y575-A579 WeakPolarHBondContact O-CB 3.37Å; Y575-A579 PolarHBondContact O-N 3.22Å; L576-A579 PolarHBondContact O-N 2.8Å; A579-Q581 PolarHBondContact O-N 2.99Å; A579-F582 PolarHBondContact O-N 3.45Å
580	R	87	Confident	90.1	Very high	91 Å²	91	54.2 Å²	54.2	34%	0.343	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	178.2	-80.8	-179.4	74.7	-177.3	6.2	113.8	F373 N454 L576 F578 F582	F373-R580 WeakPolarHBondContact O-CG 3.44Å; N454-R580 PolarHBondContact O-NH2 2.84Å; L576-R580 VanDerWaalsContact CD2-CD 3.41Å; L576-R580 HydrophobicContact CD2-CG 4.15Å; L576-R580 WeakPolarHBondContact O-CB 3.16Å; L576-R580 VanDerWaalsContact O-CG 3.27Å; L576-R580 WeakPolarHBondContact O-CG 3.37Å; L576-R580 PolarHBondContact O-N 3.46Å; F578-R580 VanDerWaalsContact C-N 3.31Å; F578-R580 PolarHBondContact O-N 2.81Å; R580-F582 VanDerWaalsContact C-N 3.33Å
581	Q	86.1	Confident	90.4	Very high	35 Å²	35	55.3 Å²	55.3	16%	0.164	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-20	-179.1	-61.5	-174.1	-61.5	0	0	113.5	Q320 T321 A322 I325 F578 A579	Q320-Q581 PolarHBondContact O-NE2 3.41Å; T321-Q581 VanDerWaalsContact C-NE2 3.27Å; T321-Q581 PolarHBondContact O-NE2 3.28Å; T321-Q581 PolarHBondContact O-OE1 2.98Å; A322-Q581 VanDerWaalsContact CA-OE1 3.22Å; I325-Q581 HydrophobicContact CD1-CG 4.19Å; I325-Q581 VanDerWaalsContact CD1-OE1 3.26Å; I325-Q581 VanDerWaalsContact CG1-NE2 3.29Å; F578-Q581 WeakPolarHBondContact O-CB 3.48Å; F578-Q581 PolarHBondContact O-N 3.11Å; A579-Q581 PolarHBondContact O-N 2.99Å
582	F	88.6	Confident	90.7	Very high	44 Å²	44	58 Å²	58	19%	0.193	27%	0.265	C	S	.	.			trans	-69.4	144.5	176.8	-69.3	-88.7	0	0	0	110.9	F578 A579 R580 P584 R633 C636	F578-F582 HydrophobicContact CD1-CE2 4.09Å; F578-F582 AromaticContact CE1-CE2 3.59Å; F578-F582 HydrophobicContact CE1-CE2 3.59Å; F578-F582 AromaticContact CE1-CZ 3.96Å; F578-F582 HydrophobicContact CE1-CZ 3.96Å; F578-F582 HydrophobicContact CE2-CE2 4.28Å; F578-F582 HydrophobicContact CE2-CZ 4.48Å; F578-F582 AromaticContact CZ-CE2 3.68Å; F578-F582 HydrophobicContact CZ-CE2 3.68Å; F578-F582 AromaticContact CZ-CZ 3.72Å; F578-F582 HydrophobicContact CZ-CZ 3.72Å; A579-F582 PolarHBondContact O-N 3.45Å; R580-F582 VanDerWaalsContact C-N 3.33Å; F582-P584 WeakPolarHBondContact O-CD 3.26Å; F582-R633 PolarHBondContact O-NE 3.25Å; F582-R633 PolarHBondContact O-NH2 3.01Å; F582-C636 HydrophobicContact CD2-CB 4.44Å; F582-C636 HydrophobicContact CE2-CB 4.04Å; F582-C636 HydrophobicContact CZ-CB 4.25Å
583	K	90.6	Very high	90.9	Very high	144 Å²	144	59.4 Å²	59.4	63%	0.626	27%	0.27	S	S	*	.			trans	-123.4	74.6	177.8	-64.4	-176.7	-177.1	178.8	0	109.2	V376 K585	V376-K583 HydrophobicContact CG1-CB 4.4Å; V376-K583 HydrophobicContact CG1-CG 4.46Å; K583-K585 PolarHBondContact O-N 3.21Å
584	P	93.4	Very high	91.3	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.032	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-60.8	139.9	-172.4	-19.9	31	0	0	0	111.9	F582 A632 R633 C637 D638 V640	F582-P584 WeakPolarHBondContact O-CD 3.26Å; P584-A632 HydrophobicContact CB-CB 3.8Å; P584-A632 HydrophobicContact CG-CB 3.84Å; P584-R633 HydrophobicContact CG-CG 3.7Å; P584-C637 WeakPolarHBondContact CG-O 3.34Å; P584-D638 CarbonylContact C-O 3.54Å; P584-D638 VanDerWaalsContact CA-O 3.25Å; P584-D638 WeakPolarHBondContact CA-O 3.3Å; P584-V640 HydrophobicContact CB-CG2 4.14Å
585	K	92.6	Very high	91.7	Very high	149 Å²	149	58 Å²	58	65%	0.648	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.8	176.8	-65.1	175.7	-175.3	167.3	0	110.7	K583 S587 D638 E639 V640	K583-K585 PolarHBondContact O-N 3.21Å; K585-S587 PolarHBondContact O-N 2.99Å; K585-D638 PolarHBondContact N-O 3.32Å; K585-E639 CarbonylContact O-C 3.47Å; K585-E639 WeakPolarHBondContact O-CA 3.18Å; K585-V640 PolarHBondContact O-N 3.11Å
586	I	93.3	Very high	91.8	Very high	60 Å²	60	62.7 Å²	62.7	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.5	177.1	-53.7	171.2	0	0	0	108.1	E591 I594 I625 V640	I586-E591 HydrophobicContact CG2-CB 4.17Å; I586-I594 HydrophobicContact CG2-CD1 4.27Å; I586-I625 HydrophobicContact CD1-CG2 3.68Å; I586-V640 HydrophobicContact CG1-CG2 4.25Å
587	S	94.3	Very high	91.9	Very high	30 Å²	30	62.7 Å²	62.7	21%	0.21	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-71.3	153.3	173.1	56.1	0	0	0	0	110.9	K585 E589 S590 E591 V640	K585-S587 PolarHBondContact O-N 2.99Å; S587-E589 VanDerWaalsContact C-N 3.28Å; S587-E589 PolarHBondContact O-N 3.39Å; S587-S590 PolarHBondContact O-N 3.46Å; S587-S590 WeakPolarHBondContact OG-CB 3.16Å; S587-S590 PolarHBondContact OG-N 3.4Å; S587-S590 PolarHBondContact OG-OG 3.29Å; S587-E591 PolarHBondContact O-N 2.98Å; S587-V640 PolarHBondContact OG-O 3.18Å
588	K	93.2	Very high	92.2	Very high	119 Å²	119	62 Å²	62	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-39.9	-179.1	-173.2	68.7	-151	156.1	0	112.4	S590 E591 D592	K588-S590 VanDerWaalsContact C-N 3.33Å; K588-S590 PolarHBondContact O-N 3.25Å; K588-E591 WeakPolarHBondContact CD-OE2 3.46Å; K588-E591 IonicContact NZ-OE1 2.95Å; K588-E591 PolarHBondContact NZ-OE1 3.24Å; K588-E591 IonicContact NZ-OE2 2.92Å; K588-E591 PolarHBondContact NZ-OE2 3.24Å; K588-E591 WeakPolarHBondContact O-CB 3.4Å; K588-E591 PolarHBondContact O-N 2.92Å; K588-D592 VanDerWaalsContact CE-OD1 3.32Å; K588-D592 WeakPolarHBondContact CE-OD1 3.47Å; K588-D592 IonicContact NZ-OD1 3.7Å; K588-D592 PolarHBondContact NZ-OD1 3.45Å; K588-D592 PolarHBondContact O-N 2.8Å; K588-D592 VanDerWaalsContact O-N 3.08Å
589	E	94.6	Very high	92.3	Very high	147 Å²	147	67.4 Å²	67.4	69%	0.687	32%	0.315	S	S	*	.	H	α-helix	trans	-61.5	-40.9	175.3	-61.1	178.9	-178.4	0	0	112.2	S587 F593	S587-E589 VanDerWaalsContact C-N 3.28Å; S587-E589 PolarHBondContact O-N 3.39Å; E589-F593 WeakPolarHBondContact O-CB 3.29Å; E589-F593 PolarHBondContact O-N 2.95Å; E589-F593 VanDerWaalsContact O-N 3.07Å
590	S	94.8	Very high	92.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.4	-33.4	177.9	-61.3	0	0	0	0	112.1	S587 K588 F593 I594 V640 Q641 P642	S587-S590 PolarHBondContact O-N 3.46Å; S587-S590 WeakPolarHBondContact OG-CB 3.16Å; S587-S590 PolarHBondContact OG-N 3.4Å; S587-S590 PolarHBondContact OG-OG 3.29Å; K588-S590 VanDerWaalsContact C-N 3.33Å; K588-S590 PolarHBondContact O-N 3.25Å; S590-F593 PolarHBondContact O-N 2.99Å; S590-I594 WeakPolarHBondContact O-CB 3.46Å; S590-I594 WeakPolarHBondContact O-CG1 3.03Å; S590-I594 PolarHBondContact O-N 2.95Å; S590-V640 PolarHBondContact OG-O 2.96Å; S590-Q641 VanDerWaalsContact OG-C 3.25Å; S590-P642 WeakPolarHBondContact OG-CD 3.23Å
591	E	94.6	Very high	92.1	Very high	90 Å²	90	67.1 Å²	67.1	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-50.9	174.2	-171.8	-168.7	167.6	0	0	110.9	I586 S587 K588 F593 I594 V595	I586-E591 HydrophobicContact CG2-CB 4.17Å; S587-E591 PolarHBondContact O-N 2.98Å; K588-E591 WeakPolarHBondContact CD-OE2 3.46Å; K588-E591 IonicContact NZ-OE1 2.95Å; K588-E591 PolarHBondContact NZ-OE1 3.24Å; K588-E591 IonicContact NZ-OE2 2.92Å; K588-E591 PolarHBondContact NZ-OE2 3.24Å; K588-E591 WeakPolarHBondContact O-CB 3.4Å; K588-E591 PolarHBondContact O-N 2.92Å; E591-F593 VanDerWaalsContact C-N 3.28Å; E591-F593 PolarHBondContact O-N 3.46Å; E591-I594 PolarHBondContact O-N 2.95Å; E591-V595 WeakPolarHBondContact O-CG2 3.44Å; E591-V595 PolarHBondContact O-N 2.68Å; E591-V595 VanDerWaalsContact O-N 3.1Å
592	D	94.8	Very high	92	Very high	89 Å²	89	70.8 Å²	70.8	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-39.4	178.6	-65.1	-15.4	0	0	0	110.6	K588 V595 E596	K588-D592 VanDerWaalsContact CE-OD1 3.32Å; K588-D592 WeakPolarHBondContact CE-OD1 3.47Å; K588-D592 IonicContact NZ-OD1 3.7Å; K588-D592 PolarHBondContact NZ-OD1 3.45Å; K588-D592 PolarHBondContact O-N 2.8Å; K588-D592 VanDerWaalsContact O-N 3.08Å; D592-V595 PolarHBondContact O-N 3.27Å; D592-E596 PolarHBondContact O-N 3.12Å
593	F	95.4	Very high	91.8	Very high	38 Å²	38	73.8 Å²	73.8	17%	0.167	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.6	-165.6	-101.5	0	0	0	112.8	E589 S590 E591 V595 E596 Q597 V645 K646	E589-F593 WeakPolarHBondContact O-CB 3.29Å; E589-F593 PolarHBondContact O-N 2.95Å; E589-F593 VanDerWaalsContact O-N 3.07Å; S590-F593 PolarHBondContact O-N 2.99Å; E591-F593 VanDerWaalsContact C-N 3.28Å; E591-F593 PolarHBondContact O-N 3.46Å; F593-V595 VanDerWaalsContact C-N 3.32Å; F593-V595 PolarHBondContact O-N 2.95Å; F593-E596 PolarHBondContact O-N 3.12Å; F593-Q597 HydrophobicContact CD1-CG 3.87Å; F593-Q597 HydrophobicContact CE1-CG 3.5Å; F593-Q597 HydrophobicContact CZ-CG 3.92Å; F593-Q597 VanDerWaalsContact CZ-NE2 3.3Å; F593-Q597 VanDerWaalsContact O-CG 3.31Å; F593-Q597 WeakPolarHBondContact O-CG 3.43Å; F593-Q597 PolarHBondContact O-N 2.95Å; F593-V645 HydrophobicContact CD1-CB 3.99Å; F593-V645 HydrophobicContact CD1-CG1 3.73Å; F593-V645 HydrophobicContact CE1-CB 4.41Å; F593-V645 HydrophobicContact CE1-CG1 4.17Å; F593-K646 HydrophobicContact CE1-CD 4.36Å; F593-K646 HydrophobicContact CE1-CG 3.44Å; F593-K646 VanDerWaalsContact CE1-CG 3.44Å; F593-K646 HydrophobicContact CZ-CD 4.14Å; F593-K646 HydrophobicContact CZ-CG 3.59Å
594	I	94.9	Very high	91	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-43.8	175.2	-75.1	165.6	0	0	0	110.5	I586 S590 E591 Q597 Y598 L621 M624 I625 V645	I586-I594 HydrophobicContact CG2-CD1 4.27Å; S590-I594 WeakPolarHBondContact O-CB 3.46Å; S590-I594 WeakPolarHBondContact O-CG1 3.03Å; S590-I594 PolarHBondContact O-N 2.95Å; E591-I594 PolarHBondContact O-N 2.95Å; I594-Q597 PolarHBondContact O-N 3.15Å; I594-Y598 WeakPolarHBondContact O-CB 3.39Å; I594-Y598 PolarHBondContact O-N 3.36Å; I594-L621 HydrophobicContact CG2-CD1 3.48Å; I594-L621 VanDerWaalsContact CG2-CD1 3.48Å; I594-M624 HydrophobicContact CG2-SD 4.36Å; I594-I625 HydrophobicContact CD1-CG1 4.3Å; I594-I625 HydrophobicContact CG2-CG1 4.37Å; I594-V645 HydrophobicContact CD1-CG2 4.03Å; I594-V645 HydrophobicContact CG1-CB 4.31Å; I594-V645 HydrophobicContact CG1-CG1 3.5Å; I594-V645 VanDerWaalsContact CG1-CG1 3.5Å; I594-V645 HydrophobicContact CG1-CG2 3.79Å
595	V	94.2	Very high	90.1	Very high	89 Å²	89	73.4 Å²	73.4	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-43	178.7	174.7	0	0	0	0	110.9	E591 D592 F593 Y598 K599	E591-V595 WeakPolarHBondContact O-CG2 3.44Å; E591-V595 PolarHBondContact O-N 2.68Å; E591-V595 VanDerWaalsContact O-N 3.1Å; D592-V595 PolarHBondContact O-N 3.27Å; F593-V595 VanDerWaalsContact C-N 3.32Å; F593-V595 PolarHBondContact O-N 2.95Å; V595-Y598 PolarHBondContact O-N 2.9Å; V595-K599 PolarHBondContact O-N 3.46Å
596	E	93.4	Very high	88.9	Confident	97 Å²	97	69.6 Å²	69.6	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-49.7	175.2	-174.2	179.4	-155.2	0	0	111.6	D592 F593 Y598 K599 H600	D592-E596 PolarHBondContact O-N 3.12Å; F593-E596 PolarHBondContact O-N 3.12Å; E596-Y598 VanDerWaalsContact C-N 3.3Å; E596-Y598 PolarHBondContact O-N 3.05Å; E596-K599 WeakPolarHBondContact O-CB 3.43Å; E596-K599 PolarHBondContact O-N 2.82Å; E596-K599 VanDerWaalsContact O-N 3.16Å; E596-H600 PolarHBondContact O-CD2 2.78Å; E596-H600 PolarHBondContact O-N 3.28Å; E596-H600 IonicContact OE1-NE2 3.21Å
597	Q	91.8	Very high	87.2	Confident	23 Å²	23	70.2 Å²	70.2	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-37.4	178.8	-65.9	-43.1	-67.8	0	0	112.3	F593 I594 H600 L601 M624 F649	F593-Q597 HydrophobicContact CD1-CG 3.87Å; F593-Q597 HydrophobicContact CE1-CG 3.5Å; F593-Q597 HydrophobicContact CZ-CG 3.92Å; F593-Q597 VanDerWaalsContact CZ-NE2 3.3Å; F593-Q597 VanDerWaalsContact O-CG 3.31Å; F593-Q597 WeakPolarHBondContact O-CG 3.43Å; F593-Q597 PolarHBondContact O-N 2.95Å; I594-Q597 PolarHBondContact O-N 3.15Å; Q597-H600 PolarHBondContact O-N 3.14Å; Q597-L601 WeakPolarHBondContact O-CB 3.44Å; Q597-L601 PolarHBondContact O-N 3.42Å; Q597-M624 HydrophobicContact CB-SD 4.34Å; Q597-F649 HydrophobicContact CB-CD2 3.97Å; Q597-F649 HydrophobicContact CB-CE2 4.14Å; Q597-F649 HydrophobicContact CB-CG 4.28Å; Q597-F649 HydrophobicContact CG-CG 4.39Å
598	Y	91	Very high	85.3	Confident	30 Å²	30	72.7 Å²	72.7	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-67.6	-37.6	175.5	179.4	-112.9	0	0	0	112.9	I594 V595 E596 L601 R602 L621	I594-Y598 WeakPolarHBondContact O-CB 3.39Å; I594-Y598 PolarHBondContact O-N 3.36Å; V595-Y598 PolarHBondContact O-N 2.9Å; E596-Y598 VanDerWaalsContact C-N 3.3Å; E596-Y598 PolarHBondContact O-N 3.05Å; Y598-L601 WeakPolarHBondContact O-CB 3.35Å; Y598-L601 PolarHBondContact O-N 2.86Å; Y598-R602 HydrophobicContact CE2-CG 4.38Å; Y598-R602 PolarHBondContact O-N 2.79Å; Y598-R602 PolarHBondContact OH-NE 3.4Å; Y598-R602 PolarHBondContact OH-NH2 3.23Å; Y598-L621 HydrophobicContact CD1-CD2 4.24Å; Y598-L621 HydrophobicContact CD2-CB 3.9Å; Y598-L621 HydrophobicContact CD2-CD1 4.17Å; Y598-L621 HydrophobicContact CD2-CG 4.48Å; Y598-L621 HydrophobicContact CE1-CD2 4.29Å; Y598-L621 HydrophobicContact CE2-CB 3.84Å; Y598-L621 HydrophobicContact CG-CB 4.39Å; Y598-L621 HydrophobicContact CG-CD1 3.97Å; Y598-L621 HydrophobicContact CG-CD2 4.41Å
599	K	90.2	Very high	83.5	Confident	128 Å²	128	73.3 Å²	73.3	56%	0.557	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-46.9	172.9	-175.7	-177.9	177.7	-175.1	0	110.7	V595 E596 L601 R602 Q603	V595-K599 PolarHBondContact O-N 3.46Å; E596-K599 WeakPolarHBondContact O-CB 3.43Å; E596-K599 PolarHBondContact O-N 2.82Å; E596-K599 VanDerWaalsContact O-N 3.16Å; K599-L601 VanDerWaalsContact C-N 3.31Å; K599-L601 PolarHBondContact O-N 3.11Å; K599-R602 PolarHBondContact O-N 3.38Å; K599-Q603 HydrophobicContact CG-CG 4.47Å; K599-Q603 WeakPolarHBondContact O-CB 3.3Å; K599-Q603 WeakPolarHBondContact O-CG 3.39Å; K599-Q603 PolarHBondContact O-N 2.85Å
600	H	87.7	Confident	81.7	Confident	84 Å²	84	68.7 Å²	68.7	39%	0.389	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-41	175.4	-71.4	-57.2	0	0	0	112.4	E596 Q597 R602 Q603 R604	E596-H600 PolarHBondContact O-CD2 2.78Å; E596-H600 PolarHBondContact O-N 3.28Å; E596-H600 IonicContact OE1-NE2 3.21Å; Q597-H600 PolarHBondContact O-N 3.14Å; H600-R602 VanDerWaalsContact C-N 3.35Å; H600-R602 PolarHBondContact O-N 2.94Å; H600-Q603 PolarHBondContact O-N 2.79Å; H600-R604 PolarHBondContact O-N 2.86Å; H600-R604 VanDerWaalsContact O-N 3.08Å
601	L	84.7	Confident	80	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-58.6	-46.1	177.2	-167.5	64.7	0	0	0	111.3	Q597 Y598 K599 D605 I616 M624 F649 L652 N653 I656	Q597-L601 WeakPolarHBondContact O-CB 3.44Å; Q597-L601 PolarHBondContact O-N 3.42Å; Y598-L601 WeakPolarHBondContact O-CB 3.35Å; Y598-L601 PolarHBondContact O-N 2.86Å; K599-L601 VanDerWaalsContact C-N 3.31Å; K599-L601 PolarHBondContact O-N 3.11Å; L601-D605 PolarHBondContact O-N 2.89Å; L601-I616 HydrophobicContact CD1-CD1 4.02Å; L601-I616 HydrophobicContact CD2-CD1 4.39Å; L601-I616 HydrophobicContact CD2-CG2 3.85Å; L601-I616 HydrophobicContact CG-CD1 3.68Å; L601-I616 HydrophobicContact CG-CG2 4.08Å; L601-I616 WeakPolarHBondContact O-CD1 3.35Å; L601-M624 HydrophobicContact CD2-CE 4.34Å; L601-F649 HydrophobicContact CB-CE2 4.18Å; L601-F649 HydrophobicContact CD1-CE2 4.08Å; L601-L652 HydrophobicContact CD2-CD2 4.25Å; L601-N653 VanDerWaalsContact CD1-OD1 3.29Å; L601-N653 WeakPolarHBondContact CD1-OD1 3.38Å; L601-I656 HydrophobicContact CD1-CD1 4.09Å
602	R	84.1	Confident	78.5	Confident	112 Å²	112	73.7 Å²	73.7	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-71.3	-38.8	177.7	-79.5	-165.8	171.2	-139.7	1.3	114	Y598 K599 H600 R604 D605 G606 I616	Y598-R602 HydrophobicContact CE2-CG 4.38Å; Y598-R602 PolarHBondContact O-N 2.79Å; Y598-R602 PolarHBondContact OH-NE 3.4Å; Y598-R602 PolarHBondContact OH-NH2 3.23Å; K599-R602 PolarHBondContact O-N 3.38Å; H600-R602 VanDerWaalsContact C-N 3.35Å; H600-R602 PolarHBondContact O-N 2.94Å; R602-R604 PolarHBondContact O-N 3.2Å; R602-D605 PolarHBondContact O-N 2.96Å; R602-D605 VanDerWaalsContact O-N 3.13Å; R602-G606 PolarHBondContact O-N 3.24Å; R602-I616 HydrophobicContact CG-CG2 4.43Å
603	Q	83.8	Confident	77	Confident	106 Å²	106	70.2 Å²	70.2	50%	0.495	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-37.4	177.4	-77.1	178	-20.9	0	0	111.4	K599 H600 D605 G606 S607	K599-Q603 HydrophobicContact CG-CG 4.47Å; K599-Q603 WeakPolarHBondContact O-CB 3.3Å; K599-Q603 WeakPolarHBondContact O-CG 3.39Å; K599-Q603 PolarHBondContact O-N 2.85Å; H600-Q603 PolarHBondContact O-N 2.79Å; Q603-D605 VanDerWaalsContact C-N 3.31Å; Q603-D605 PolarHBondContact O-N 2.9Å; Q603-G606 PolarHBondContact O-N 2.84Å; Q603-S607 PolarHBondContact O-N 3.43Å
604	R	74.9	Confident	75.6	Confident	92 Å²	92	71 Å²	71	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-34.9	175.3	-164.9	-179.6	74	-162.2	-3.1	113	H600 R602 N653	H600-R604 PolarHBondContact O-N 2.86Å; H600-R604 VanDerWaalsContact O-N 3.08Å; R602-R604 PolarHBondContact O-N 3.2Å; R604-N653 VanDerWaalsContact CZ-OD1 3.23Å; R604-N653 PolarHBondContact NH1-OD1 2.64Å; R604-N653 PolarHBondContact NH2-OD1 2.93Å
605	D	73.3	Confident	74.4	Confident	49 Å²	49	80.6 Å²	80.6	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-76.9	-27	177	-161.6	44.1	0	0	0	112.6	L601 R602 Q603 S612 I616	L601-D605 PolarHBondContact O-N 2.89Å; R602-D605 PolarHBondContact O-N 2.96Å; R602-D605 VanDerWaalsContact O-N 3.13Å; Q603-D605 VanDerWaalsContact C-N 3.31Å; Q603-D605 PolarHBondContact O-N 2.9Å; D605-S612 WeakPolarHBondContact OD1-CB 3.3Å; D605-S612 PolarHBondContact OD1-OG 3.42Å; D605-I616 HydrophobicContact CB-CD1 3.8Å; D605-I616 HydrophobicContact CB-CG1 4.07Å; D605-I616 PolarHBondContact OD2-N 3.02Å; D605-I616 VanDerWaalsContact OD2-N 3.16Å
606	G	67.4	Low	73.7	Confident	70 Å²	70	77.2 Å²	77.2	72%	0.722	40%	0.403	S	S	*	.	H	α-helix	trans	-81	-18.5	-178.5	0	0	0	0	0	115	R602 Q603	R602-G606 PolarHBondContact O-N 3.24Å; Q603-G606 PolarHBondContact O-N 2.84Å
607	S	59.2	Low	73.3	Confident	72 Å²	72	74.9 Å²	74.9	50%	0.503	40%	0.395	S	S	.	.	S	Bend	trans	-88.2	110.3	179	-156	0	0	0	0	109.6	Q603 V609	Q603-S607 PolarHBondContact O-N 3.43Å; S607-V609 PolarHBondContact O-N 2.82Å
608	G	53	Low	73	Confident	82 Å²	82	77.5 Å²	77.5	85%	0.845	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	4.9	-169.7	0	0	0	0	0	117.2
609	V	55.3	Low	72.8	Confident	132 Å²	132	79.6 Å²	79.6	80%	0.8	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.4	179.8	167.8	0	0	0	0	112.6	S607	S607-V609 PolarHBondContact O-N 2.82Å
610	T	56.6	Low	72.7	Confident	50 Å²	50	74.3 Å²	74.3	31%	0.307	40%	0.397	S	S	.	.	S	Bend	trans	-137.4	111.2	174.2	58.6	0	0	0	0	110.4	S612	T610-S612 PolarHBondContact O-N 2.91Å; T610-S612 VanDerWaalsContact O-N 3.12Å
611	K	59.8	Low	72.8	Confident	168 Å²	168	72 Å²	72	73%	0.73	39%	0.388	S	S	*	.			trans	-71.7	108.2	175.9	-161.1	159.6	-172.3	160.2	0	109.1
612	S	63.9	Low	73.1	Confident	27 Å²	27	76.6 Å²	76.6	19%	0.189	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-64.5	152.7	172	77.5	0	0	0	0	109.8	D605 T610 W614	D605-S612 WeakPolarHBondContact OD1-CB 3.3Å; D605-S612 PolarHBondContact OD1-OG 3.42Å; T610-S612 PolarHBondContact O-N 2.91Å; T610-S612 VanDerWaalsContact O-N 3.12Å; S612-W614 PolarHBondContact O-N 3.1Å; S612-W614 VanDerWaalsContact O-N 3.16Å; S612-W614 PolarHBondContact OG-O 2.89Å
613	S	61.4	Low	73.4	Confident	17 Å²	17	71.3 Å²	71.3	12%	0.119	39%	0.39	C	S	.	.	S	Bend	trans	-66.2	-13.9	177.8	54.5	0	0	0	0	113	I657 V659	S613-I657 PolarHBondContact OG-O 3.22Å; S613-V659 VanDerWaalsContact CA-CG2 3.42Å; S613-V659 VanDerWaalsContact CB-CG2 3.5Å
614	W	66.7	Low	73.8	Confident	55 Å²	55	66.3 Å²	66.3	21%	0.208	37%	0.366	C	S	.	.	S	Bend	trans	-158.8	124	-173.5	-176.1	-14.7	0	0	0	113.2	L516 M527 S528 F533 S612 I616	L516-W614 HydrophobicContact CD2-CE3 4.15Å; M527-W614 HydrophobicContact CB-CH2 3.75Å; M527-W614 HydrophobicContact CB-CZ2 4.39Å; M527-W614 HydrophobicContact CB-CZ3 3.84Å; M527-W614 HydrophobicContact CE-CE3 3.93Å; M527-W614 HydrophobicContact CE-CZ3 3.95Å; M527-W614 WeakPolarHBondContact O-CH2 3.28Å; S528-W614 VanDerWaalsContact CA-CZ2 3.46Å; F533-W614 HydrophobicContact CD2-CH2 4.28Å; F533-W614 AromaticContact CD2-CZ3 3.75Å; F533-W614 HydrophobicContact CD2-CZ3 3.75Å; F533-W614 AromaticContact CE2-CH2 3.59Å; F533-W614 HydrophobicContact CE2-CH2 3.59Å; F533-W614 AromaticContact CE2-CZ3 3.33Å; F533-W614 HydrophobicContact CE2-CZ3 3.33Å; F533-W614 HydrophobicContact CZ-CH2 4.23Å; F533-W614 AromaticContact CZ-CZ3 3.85Å; F533-W614 HydrophobicContact CZ-CZ3 3.85Å; S612-W614 PolarHBondContact O-N 3.1Å; S612-W614 VanDerWaalsContact O-N 3.16Å; S612-W614 PolarHBondContact OG-O 2.89Å; W614-I616 PolarHBondContact O-N 2.86Å
615	R	70.7	Confident	74.7	Confident	209 Å²	209	64 Å²	64	79%	0.789	36%	0.361	S	S	*	.			trans	-48.2	126.5	165.1	-64.9	-168.8	-178.5	149.2	1	116.3
616	I	79.9	Confident	75.7	Confident	17 Å²	17	62.4 Å²	62.4	9%	0.087	35%	0.351	C	S	.	.			trans	-80.1	126.1	-177.2	-55	-176.6	0	0	0	111.1	L601 R602 D605 W614 Q620 I656	L601-I616 HydrophobicContact CD1-CD1 4.02Å; L601-I616 HydrophobicContact CD2-CD1 4.39Å; L601-I616 HydrophobicContact CD2-CG2 3.85Å; L601-I616 HydrophobicContact CG-CD1 3.68Å; L601-I616 HydrophobicContact CG-CG2 4.08Å; L601-I616 WeakPolarHBondContact O-CD1 3.35Å; R602-I616 HydrophobicContact CG-CG2 4.43Å; D605-I616 HydrophobicContact CB-CD1 3.8Å; D605-I616 HydrophobicContact CB-CG1 4.07Å; D605-I616 PolarHBondContact OD2-N 3.02Å; D605-I616 VanDerWaalsContact OD2-N 3.16Å; W614-I616 PolarHBondContact O-N 2.86Å; I616-Q620 HydrophobicContact CG2-CB 4.35Å; I616-Q620 HydrophobicContact CG2-CG 4.42Å; I616-I656 HydrophobicContact CD1-CD1 4.27Å
617	T	83.3	Confident	77	Confident	49 Å²	49	59.1 Å²	59.1	30%	0.301	32%	0.316	S	S	.	.			trans	-116.8	172.6	-177.4	70.5	0	0	0	0	112.5	R619 Q620	T617-R619 PolarHBondContact O-N 3.14Å; T617-R619 PolarHBondContact OG1-N 3.1Å; T617-Q620 WeakPolarHBondContact O-CB 3.48Å; T617-Q620 PolarHBondContact O-N 3.14Å; T617-Q620 VanDerWaalsContact O-N 3.15Å
618	V	86.6	Confident	78.7	Confident	77 Å²	77	55.7 Å²	55.7	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-26.2	176.9	-176.4	0	0	0	0	112.4	Q620 L621 E622	V618-Q620 PolarHBondContact O-N 3.31Å; V618-Q620 VanDerWaalsContact O-N 3.16Å; V618-L621 WeakPolarHBondContact O-CA 3.42Å; V618-L621 VanDerWaalsContact O-CB 3.24Å; V618-L621 WeakPolarHBondContact O-CB 3.47Å; V618-L621 PolarHBondContact O-N 3.09Å; V618-E622 PolarHBondContact O-N 2.89Å
619	R	86.5	Confident	80.7	Confident	75 Å²	75	51.9 Å²	51.9	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-27.6	176.6	-63.3	-179.2	-173.7	175.6	-1.3	112.9	S528 R529 T617 L621 E622 S623	S528-R619 VanDerWaalsContact O-CD 3.24Å; S528-R619 WeakPolarHBondContact O-CD 3.36Å; S528-R619 PolarHBondContact OG-NH1 2.93Å; R529-R619 VanDerWaalsContact NH1-NE 3.13Å; R529-R619 VanDerWaalsContact NH1-NH2 3.1Å; T617-R619 PolarHBondContact O-N 3.14Å; T617-R619 PolarHBondContact OG1-N 3.1Å; R619-L621 VanDerWaalsContact C-N 3.32Å; R619-E622 PolarHBondContact O-N 3.03Å; R619-S623 WeakPolarHBondContact O-CB 3.24Å; R619-S623 PolarHBondContact O-N 3.37Å; R619-S623 PolarHBondContact O-OG 3.04Å
620	Q	87.5	Confident	82.6	Confident	16 Å²	16	45.6 Å²	45.6	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-29.2	175.5	-60.5	-58.3	-22.2	0	0	112	I616 T617 V618 S623 M624	I616-Q620 HydrophobicContact CG2-CB 4.35Å; I616-Q620 HydrophobicContact CG2-CG 4.42Å; T617-Q620 WeakPolarHBondContact O-CB 3.48Å; T617-Q620 PolarHBondContact O-N 3.14Å; T617-Q620 VanDerWaalsContact O-N 3.15Å; V618-Q620 PolarHBondContact O-N 3.31Å; V618-Q620 VanDerWaalsContact O-N 3.16Å; Q620-S623 WeakPolarHBondContact O-CB 3.19Å; Q620-S623 PolarHBondContact O-N 3Å; Q620-M624 WeakPolarHBondContact O-CB 3.3Å; Q620-M624 PolarHBondContact O-N 3.09Å
621	L	91.2	Very high	84.4	Confident	37 Å²	37	43.5 Å²	43.5	19%	0.194	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-46.3	171.3	179.6	61	0	0	0	110.8	I594 Y598 V618 R619 S623 M624 I625	I594-L621 HydrophobicContact CG2-CD1 3.48Å; I594-L621 VanDerWaalsContact CG2-CD1 3.48Å; Y598-L621 HydrophobicContact CD1-CD2 4.24Å; Y598-L621 HydrophobicContact CD2-CB 3.9Å; Y598-L621 HydrophobicContact CD2-CD1 4.17Å; Y598-L621 HydrophobicContact CD2-CG 4.48Å; Y598-L621 HydrophobicContact CE1-CD2 4.29Å; Y598-L621 HydrophobicContact CE2-CB 3.84Å; Y598-L621 HydrophobicContact CG-CB 4.39Å; Y598-L621 HydrophobicContact CG-CD1 3.97Å; Y598-L621 HydrophobicContact CG-CD2 4.41Å; V618-L621 WeakPolarHBondContact O-CA 3.42Å; V618-L621 VanDerWaalsContact O-CB 3.24Å; V618-L621 WeakPolarHBondContact O-CB 3.47Å; V618-L621 PolarHBondContact O-N 3.09Å; R619-L621 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 3.48Å; L621-M624 WeakPolarHBondContact O-CB 3.43Å; L621-M624 PolarHBondContact O-N 3.37Å; L621-I625 HydrophobicContact CG-CD1 4.38Å; L621-I625 WeakPolarHBondContact O-CG1 3.38Å; L621-I625 PolarHBondContact O-N 2.81Å
622	E	89.8	Confident	86	Confident	97 Å²	97	35.5 Å²	35.5	45%	0.453	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-37.8	174.8	-65.7	173	-171.6	0	0	111.8	V618 R619 I625 R626	V618-E622 PolarHBondContact O-N 2.89Å; R619-E622 PolarHBondContact O-N 3.03Å; E622-I625 PolarHBondContact O-N 2.94Å; E622-R626 WeakPolarHBondContact O-CG 2.98Å; E622-R626 PolarHBondContact O-N 3.02Å; E622-R626 PolarHBondContact O-NE 3.46Å
623	S	91.3	Very high	87.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-45.5	174.4	-59.1	0	0	0	0	111.8	D531 R619 Q620 L621 I625 R626 L627	D531-S623 WeakPolarHBondContact CB-OG 3.07Å; D531-S623 PolarHBondContact OD1-OG 3.42Å; R619-S623 WeakPolarHBondContact O-CB 3.24Å; R619-S623 PolarHBondContact O-N 3.37Å; R619-S623 PolarHBondContact O-OG 3.04Å; Q620-S623 WeakPolarHBondContact O-CB 3.19Å; Q620-S623 PolarHBondContact O-N 3Å; L621-S623 PolarHBondContact O-N 3.48Å; S623-I625 VanDerWaalsContact C-N 3.31Å; S623-I625 PolarHBondContact O-N 3.42Å; S623-R626 PolarHBondContact O-N 2.88Å; S623-L627 WeakPolarHBondContact O-CB 3.46Å; S623-L627 VanDerWaalsContact O-CG 3.3Å; S623-L627 WeakPolarHBondContact O-CG 3.28Å; S623-L627 PolarHBondContact O-N 2.91Å
624	M	92.6	Very high	88.9	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-40.6	177.7	-173	-176.4	-59.5	0	0	111.9	I594 Q597 L601 Q620 L621 S628 F649 L652	I594-M624 HydrophobicContact CG2-SD 4.36Å; Q597-M624 HydrophobicContact CB-SD 4.34Å; L601-M624 HydrophobicContact CD2-CE 4.34Å; Q620-M624 WeakPolarHBondContact O-CB 3.3Å; Q620-M624 PolarHBondContact O-N 3.09Å; L621-M624 WeakPolarHBondContact O-CB 3.43Å; L621-M624 PolarHBondContact O-N 3.37Å; M624-S628 WeakPolarHBondContact O-CB 3.36Å; M624-S628 PolarHBondContact O-N 3.49Å; M624-S628 PolarHBondContact O-OG 2.84Å; M624-F649 HydrophobicContact CE-CD2 3.75Å; M624-F649 HydrophobicContact CE-CE2 4.49Å; M624-L652 HydrophobicContact CB-CD2 4.3Å; M624-L652 HydrophobicContact CE-CD2 3.89Å
625	I	93.8	Very high	90.1	Very high	45 Å²	45	33.9 Å²	33.9	23%	0.231	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-50.4	175.7	-66.9	164.7	0	0	0	110.1	I586 I594 L621 E622 S623 L627 S628 E629	I586-I625 HydrophobicContact CD1-CG2 3.68Å; I594-I625 HydrophobicContact CD1-CG1 4.3Å; I594-I625 HydrophobicContact CG2-CG1 4.37Å; L621-I625 HydrophobicContact CG-CD1 4.38Å; L621-I625 WeakPolarHBondContact O-CG1 3.38Å; L621-I625 PolarHBondContact O-N 2.81Å; E622-I625 PolarHBondContact O-N 2.94Å; S623-I625 VanDerWaalsContact C-N 3.31Å; S623-I625 PolarHBondContact O-N 3.42Å; I625-L627 PolarHBondContact O-N 2.7Å; I625-S628 PolarHBondContact O-N 2.92Å; I625-S628 VanDerWaalsContact O-N 3.16Å; I625-E629 HydrophobicContact CG2-CG 4.46Å; I625-E629 WeakPolarHBondContact O-CG 3.31Å; I625-E629 PolarHBondContact O-N 3.25Å
626	R	93.9	Very high	91.1	Very high	15 Å²	15	24.9 Å²	24.9	6%	0.057	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-42.1	179.4	-75.7	-176.9	-93.1	135.9	7	113	R387 D389 I390 D531 E622 S623 S628 E629 A630	R387-R626 WeakPolarHBondContact O-CD 3.46Å; D389-R626 PolarHBondContact O-NH1 3.39Å; I390-R626 HydrophobicContact CG1-CB 4.08Å; D531-R626 IonicContact OD1-CZ 2.84Å; D531-R626 VanDerWaalsContact OD1-CZ 3.27Å; D531-R626 IonicContact OD1-NH1 3.58Å; D531-R626 PolarHBondContact OD1-NH1 3.41Å; D531-R626 IonicContact OD1-NH2 3.93Å; D531-R626 PolarHBondContact OD1-NH2 3.48Å; D531-R626 IonicContact OD2-CZ 3.4Å; D531-R626 IonicContact OD2-NH1 2.59Å; D531-R626 PolarHBondContact OD2-NH1 3.21Å; D531-R626 IonicContact OD2-NH2 3.65Å; E622-R626 WeakPolarHBondContact O-CG 2.98Å; E622-R626 PolarHBondContact O-N 3.02Å; E622-R626 PolarHBondContact O-NE 3.46Å; S623-R626 PolarHBondContact O-N 2.88Å; R626-S628 VanDerWaalsContact C-N 3.34Å; R626-E629 PolarHBondContact O-N 3.23Å; R626-A630 WeakPolarHBondContact O-CB 3.4Å; R626-A630 PolarHBondContact O-N 3.43Å
627	L	94.5	Very high	91.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-39.7	175.4	-72.3	167.6	0	0	0	111.9	L370 I390 L532 S623 I625 A630 M631 A648	L370-L627 HydrophobicContact CB-CD2 4.31Å; L370-L627 HydrophobicContact CD1-CD2 3.92Å; I390-L627 HydrophobicContact CD1-CD2 3.85Å; I390-L627 HydrophobicContact CD1-CG 4.42Å; I390-L627 HydrophobicContact CG2-CD2 4.18Å; L532-L627 HydrophobicContact CD1-CD1 4.39Å; L532-L627 HydrophobicContact CD1-CD2 3.77Å; L532-L627 HydrophobicContact CD2-CD1 3.98Å; L532-L627 HydrophobicContact CG-CD1 4.24Å; L532-L627 HydrophobicContact CG-CD2 4.39Å; S623-L627 WeakPolarHBondContact O-CB 3.46Å; S623-L627 VanDerWaalsContact O-CG 3.3Å; S623-L627 WeakPolarHBondContact O-CG 3.28Å; S623-L627 PolarHBondContact O-N 2.91Å; I625-L627 PolarHBondContact O-N 2.7Å; L627-A630 PolarHBondContact O-N 3.21Å; L627-M631 WeakPolarHBondContact O-CB 3.09Å; L627-M631 PolarHBondContact O-N 2.78Å; L627-A648 HydrophobicContact CB-CB 3.89Å
628	S	95.1	Very high	92	Very high	1 Å²	1	28 Å²	28	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-38.9	177.8	-56.4	0	0	0	0	112	M624 I625 R626 A632 A648	M624-S628 WeakPolarHBondContact O-CB 3.36Å; M624-S628 PolarHBondContact O-N 3.49Å; M624-S628 PolarHBondContact O-OG 2.84Å; I625-S628 PolarHBondContact O-N 2.92Å; I625-S628 VanDerWaalsContact O-N 3.16Å; R626-S628 VanDerWaalsContact C-N 3.34Å; S628-A632 PolarHBondContact O-N 3.34Å; S628-A648 WeakPolarHBondContact OG-CB 2.96Å
629	E	94.6	Very high	92.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-44.3	173.8	-72	174.5	177.7	0	0	111.9	V376 K378 I625 R626 M631 A632 R633 V640	V376-E629 WeakPolarHBondContact CB-OE2 3.44Å; V376-E629 HydrophobicContact CG2-CB 4.27Å; V376-E629 HydrophobicContact CG2-CG 4.4Å; V376-E629 PolarHBondContact N-OE2 3.01Å; K378-E629 WeakPolarHBondContact CE-OE1 3.17Å; K378-E629 IonicContact NZ-OE1 2.95Å; K378-E629 PolarHBondContact NZ-OE1 3.03Å; I625-E629 HydrophobicContact CG2-CG 4.46Å; I625-E629 WeakPolarHBondContact O-CG 3.31Å; I625-E629 PolarHBondContact O-N 3.25Å; R626-E629 PolarHBondContact O-N 3.23Å; E629-M631 VanDerWaalsContact C-N 3.3Å; E629-M631 PolarHBondContact O-N 2.7Å; E629-A632 PolarHBondContact O-N 3.24Å; E629-R633 PolarHBondContact O-N 3.44Å; E629-V640 HydrophobicContact CG-CG2 4.25Å
630	A	94.7	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-38.9	176.1	0	0	0	0	0	111.8	L370 I390 R626 L627 R633 M634	L370-A630 HydrophobicContact CD2-CB 4.44Å; I390-A630 HydrophobicContact CD1-CB 3.77Å; R626-A630 WeakPolarHBondContact O-CB 3.4Å; R626-A630 PolarHBondContact O-N 3.43Å; L627-A630 PolarHBondContact O-N 3.21Å; A630-R633 WeakPolarHBondContact O-CB 3.43Å; A630-R633 PolarHBondContact O-N 2.7Å; A630-M634 PolarHBondContact O-N 3.45Å
631	M	94.1	Very high	93.2	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-41.6	174.4	-168.6	69.3	68.8	0	0	112	Y347 L370 L627 E629 R633 M634 H635 H644 E647	Y347-M631 HydrophobicContact CE1-CE 4.45Å; Y347-M631 HydrophobicContact CE2-CE 4.24Å; Y347-M631 HydrophobicContact CE2-SD 4.38Å; L370-M631 HydrophobicContact CD1-CE 3.74Å; L370-M631 HydrophobicContact CD2-CB 4.3Å; L370-M631 HydrophobicContact CD2-CE 3.63Å; L370-M631 HydrophobicContact CD2-SD 3.97Å; L370-M631 HydrophobicContact CG-CE 4.23Å; L627-M631 WeakPolarHBondContact O-CB 3.09Å; L627-M631 PolarHBondContact O-N 2.78Å; E629-M631 VanDerWaalsContact C-N 3.3Å; E629-M631 PolarHBondContact O-N 2.7Å; M631-R633 VanDerWaalsContact C-N 3.35Å; M631-M634 HydrophobicContact CG-CE 4.48Å; M631-M634 WeakPolarHBondContact O-CB 3.48Å; M631-M634 PolarHBondContact O-N 2.98Å; M631-M634 HydrophobicContact SD-CE 3.32Å; M631-M634 WeakPolarHBondContact SD-CE 3.49Å; M631-M634 HydrophobicContact SD-SD 4.46Å; M631-H635 PolarHBondContact O-CD2 2.97Å; M631-H635 PolarHBondContact O-N 3.37Å; M631-H644 HydrophobicContact CB-CB 4.16Å; M631-H644 HydrophobicContact CG-CB 4.05Å; M631-E647 HydrophobicContact CE-CB 4.39Å; M631-E647 HydrophobicContact CE-CG 3.68Å
632	A	94	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-39.6	175.8	0	0	0	0	0	111.8	P584 S628 E629 H635 C636 C637 V640	P584-A632 HydrophobicContact CB-CB 3.8Å; P584-A632 HydrophobicContact CG-CB 3.84Å; S628-A632 PolarHBondContact O-N 3.34Å; E629-A632 PolarHBondContact O-N 3.24Å; A632-H635 PolarHBondContact O-N 3.41Å; A632-C636 PolarHBondContact O-N 3.45Å; A632-C637 PolarHBondContact O-N 3.33Å; A632-V640 HydrophobicContact CB-CG2 4.09Å
633	R	92.8	Very high	93.6	Very high	14 Å²	14	31 Å²	31	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-42.9	173.5	-78.3	179.1	164.5	179.1	-2.4	112.7	G374 G375 F582 P584 E629 A630 M631 H635 C636	G374-R633 VanDerWaalsContact O-CD 3.3Å; G374-R633 WeakPolarHBondContact O-CD 3.4Å; G374-R633 PolarHBondContact O-NH1 3.1Å; G375-R633 PolarHBondContact O-NH1 3.31Å; F582-R633 PolarHBondContact O-NE 3.25Å; F582-R633 PolarHBondContact O-NH2 3.01Å; P584-R633 HydrophobicContact CG-CG 3.7Å; E629-R633 PolarHBondContact O-N 3.44Å; A630-R633 WeakPolarHBondContact O-CB 3.43Å; A630-R633 PolarHBondContact O-N 2.7Å; M631-R633 VanDerWaalsContact C-N 3.35Å; R633-H635 PolarHBondContact O-N 3.01Å; R633-C636 PolarHBondContact O-N 3.23Å
634	M	93.3	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-35.9	177.9	178.1	-173.7	72.1	0	0	112.1	L346 Y347 L350 L369 F373 Y575 A630 M631 C636	L346-M634 HydrophobicContact CD2-CG 4.46Å; Y347-M634 HydrophobicContact CD2-CE 3.58Å; Y347-M634 HydrophobicContact CD2-SD 3.45Å; Y347-M634 WeakPolarHBondContact CD2-SD 3.42Å; Y347-M634 HydrophobicContact CE2-CE 4.31Å; Y347-M634 HydrophobicContact CE2-SD 4.15Å; Y347-M634 HydrophobicContact CG-CE 3.85Å; Y347-M634 HydrophobicContact CG-SD 4.22Å; L350-M634 HydrophobicContact CD1-CG 4.44Å; L369-M634 HydrophobicContact CD2-CG 4.43Å; L369-M634 HydrophobicContact CD2-SD 3.48Å; L369-M634 WeakPolarHBondContact CD2-SD 3.5Å; F373-M634 HydrophobicContact CD1-CB 4.38Å; F373-M634 HydrophobicContact CD2-CB 4.03Å; F373-M634 HydrophobicContact CD2-CG 4.21Å; F373-M634 HydrophobicContact CE1-CB 4.28Å; F373-M634 HydrophobicContact CE1-CG 4.45Å; F373-M634 HydrophobicContact CE2-CB 3.96Å; F373-M634 HydrophobicContact CE2-CG 3.67Å; F373-M634 HydrophobicContact CE2-SD 4.3Å; F373-M634 HydrophobicContact CG-CB 4.27Å; F373-M634 HydrophobicContact CZ-CB 4.08Å; F373-M634 HydrophobicContact CZ-CG 3.8Å; Y575-M634 WeakPolarHBondContact CE1-O 3.49Å; Y575-M634 PolarHBondContact OH-O 2.95Å; A630-M634 PolarHBondContact O-N 3.45Å; M631-M634 HydrophobicContact CG-CE 4.48Å; M631-M634 WeakPolarHBondContact O-CB 3.48Å; M631-M634 PolarHBondContact O-N 2.98Å; M631-M634 HydrophobicContact SD-CE 3.32Å; M631-M634 WeakPolarHBondContact SD-CE 3.49Å; M631-M634 HydrophobicContact SD-SD 4.46Å; M634-C636 VanDerWaalsContact C-N 3.31Å
635	H	92.4	Very high	93.9	Very high	51 Å²	51	31.6 Å²	31.6	24%	0.236	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.8	176.1	-69.5	-63.1	0	0	0	114.1	M631 A632 R633 C637 H644	M631-H635 PolarHBondContact O-CD2 2.97Å; M631-H635 PolarHBondContact O-N 3.37Å; A632-H635 PolarHBondContact O-N 3.41Å; R633-H635 PolarHBondContact O-N 3.01Å; H635-C637 PolarHBondContact O-N 2.79Å; H635-H644 AromaticContact CD2-NE2 3.91Å
636	C	91	Very high	93.9	Very high	21 Å²	21	35.1 Å²	35.1	14%	0.142	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	33.7	-174.1	-62.7	0	0	0	0	113.6	Y575 F582 A632 R633 M634	Y575-C636 PolarHBondContact OH-SG 3.15Å; F582-C636 HydrophobicContact CD2-CB 4.44Å; F582-C636 HydrophobicContact CE2-CB 4.04Å; F582-C636 HydrophobicContact CZ-CB 4.25Å; A632-C636 PolarHBondContact O-N 3.45Å; R633-C636 PolarHBondContact O-N 3.23Å; M634-C636 VanDerWaalsContact C-N 3.31Å
637	C	91.1	Very high	93.8	Very high	36 Å²	36	36.6 Å²	36.6	24%	0.243	18%	0.178	C	C	.	.			trans	-90.5	138.4	176.4	-70.2	0	0	0	0	111	P584 A632 H635 E639	P584-C637 WeakPolarHBondContact CG-O 3.34Å; A632-C637 PolarHBondContact O-N 3.33Å; H635-C637 PolarHBondContact O-N 2.79Å; C637-E639 VanDerWaalsContact C-N 3.3Å
638	D	91.8	Very high	93.7	Very high	95 Å²	95	36.6 Å²	36.6	51%	0.508	18%	0.178	S	C	.	.	S	Bend	trans	-84.6	-5	175.8	-160	38.4	0	0	0	113.3	P584 K585	P584-D638 CarbonylContact C-O 3.54Å; P584-D638 VanDerWaalsContact CA-O 3.25Å; P584-D638 WeakPolarHBondContact CA-O 3.3Å; K585-D638 PolarHBondContact N-O 3.32Å
639	E	94.4	Very high	93.6	Very high	106 Å²	106	38.2 Å²	38.2	50%	0.495	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	177	59.8	175	-162.7	0	0	112.1	K585 C637	K585-E639 CarbonylContact O-C 3.47Å; K585-E639 WeakPolarHBondContact O-CA 3.18Å; C637-E639 VanDerWaalsContact C-N 3.3Å
640	V	95.8	Very high	93.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.5	170.6	-176	0	0	0	0	108.1	P584 K585 I586 S587 S590 E629 A632 H644 V645	P584-V640 HydrophobicContact CB-CG2 4.14Å; K585-V640 PolarHBondContact O-N 3.11Å; I586-V640 HydrophobicContact CG1-CG2 4.25Å; S587-V640 PolarHBondContact OG-O 3.18Å; S590-V640 PolarHBondContact OG-O 2.96Å; E629-V640 HydrophobicContact CG-CG2 4.25Å; A632-V640 HydrophobicContact CB-CG2 4.09Å; V640-H644 HydrophobicContact CG1-CB 4.28Å; V640-V645 HydrophobicContact CG1-CG2 4.03Å
641	Q	94.4	Very high	93.3	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.299	20%	0.198	S	C	.	.			trans	-102.2	158	176.7	-63.2	-178.1	-3.3	0	0	110.8	S590 K643 H644 V645	S590-Q641 VanDerWaalsContact OG-C 3.25Å; Q641-K643 PolarHBondContact O-N 2.88Å; Q641-H644 PolarHBondContact N-ND1 3.34Å; Q641-H644 WeakPolarHBondContact O-CB 3.45Å; Q641-H644 PolarHBondContact O-N 3Å; Q641-V645 PolarHBondContact O-N 2.95Å
642	P	95.1	Very high	93	Very high	39 Å²	39	41.5 Å²	41.5	25%	0.253	20%	0.197	S	C	.	.	H	α-helix	trans	-58.7	-25.9	178.5	-26.4	35.3	0	0	0	113.7	S590 H644 V645 K646	S590-P642 WeakPolarHBondContact OG-CD 3.23Å; P642-H644 VanDerWaalsContact C-N 3.34Å; P642-H644 PolarHBondContact O-N 2.82Å; P642-V645 PolarHBondContact O-N 2.9Å; P642-K646 VanDerWaalsContact O-CG 3.32Å; P642-K646 WeakPolarHBondContact O-CG 3.31Å; P642-K646 PolarHBondContact O-N 3.16Å
643	K	93.9	Very high	92.6	Very high	155 Å²	155	42.8 Å²	42.8	67%	0.674	21%	0.205	S	C	*	.	H	α-helix	trans	-61.2	-41.3	175.2	-63.6	176.9	-177.1	171.5	0	112	Q641 K646 E647	Q641-K643 PolarHBondContact O-N 2.88Å; K643-K646 PolarHBondContact O-N 3.39Å; K643-E647 PolarHBondContact O-N 2.95Å
644	H	94.8	Very high	92.1	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.06	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-41.5	178.6	-53.4	153.4	0	0	0	110.7	M631 H635 V640 Q641 P642 E647 A648	M631-H644 HydrophobicContact CB-CB 4.16Å; M631-H644 HydrophobicContact CG-CB 4.05Å; H635-H644 AromaticContact CD2-NE2 3.91Å; V640-H644 HydrophobicContact CG1-CB 4.28Å; Q641-H644 PolarHBondContact N-ND1 3.34Å; Q641-H644 WeakPolarHBondContact O-CB 3.45Å; Q641-H644 PolarHBondContact O-N 3Å; P642-H644 VanDerWaalsContact C-N 3.34Å; P642-H644 PolarHBondContact O-N 2.82Å; H644-E647 PolarHBondContact O-N 3Å; H644-A648 WeakPolarHBondContact O-CB 3.5Å; H644-A648 PolarHBondContact O-N 3.28Å
645	V	95.5	Very high	91.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-42.5	178.1	-176.9	0	0	0	0	111.4	F593 I594 V640 Q641 P642 E647 A648 F649	F593-V645 HydrophobicContact CD1-CB 3.99Å; F593-V645 HydrophobicContact CD1-CG1 3.73Å; F593-V645 HydrophobicContact CE1-CB 4.41Å; F593-V645 HydrophobicContact CE1-CG1 4.17Å; I594-V645 HydrophobicContact CD1-CG2 4.03Å; I594-V645 HydrophobicContact CG1-CB 4.31Å; I594-V645 HydrophobicContact CG1-CG1 3.5Å; I594-V645 VanDerWaalsContact CG1-CG1 3.5Å; I594-V645 HydrophobicContact CG1-CG2 3.79Å; V640-V645 HydrophobicContact CG1-CG2 4.03Å; Q641-V645 PolarHBondContact O-N 2.95Å; P642-V645 PolarHBondContact O-N 2.9Å; V645-E647 VanDerWaalsContact C-N 3.33Å; V645-E647 PolarHBondContact O-N 2.85Å; V645-A648 PolarHBondContact O-N 3.24Å; V645-F649 VanDerWaalsContact O-CB 3.27Å; V645-F649 WeakPolarHBondContact O-CB 3.38Å; V645-F649 PolarHBondContact O-N 2.88Å
646	K	94.3	Very high	90.6	Very high	120 Å²	120	48.4 Å²	48.4	52%	0.522	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-44.7	176.6	-74.5	175.1	-176.4	-177.8	0	111.9	F593 P642 K643 F649 R650	F593-K646 HydrophobicContact CE1-CD 4.36Å; F593-K646 HydrophobicContact CE1-CG 3.44Å; F593-K646 VanDerWaalsContact CE1-CG 3.44Å; F593-K646 HydrophobicContact CZ-CD 4.14Å; F593-K646 HydrophobicContact CZ-CG 3.59Å; P642-K646 VanDerWaalsContact O-CG 3.32Å; P642-K646 WeakPolarHBondContact O-CG 3.31Å; P642-K646 PolarHBondContact O-N 3.16Å; K643-K646 PolarHBondContact O-N 3.39Å; K646-F649 PolarHBondContact O-N 3.38Å; K646-R650 WeakPolarHBondContact O-CB 3.19Å; K646-R650 PolarHBondContact O-N 3.04Å
647	E	92.4	Very high	89.4	Confident	46 Å²	46	50 Å²	50	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-41.8	178.8	-178.7	58.5	-165.2	0	0	112	Y347 M631 K643 H644 V645 F649 R650 L651	Y347-E647 HydrophobicContact CE1-CG 4.4Å; M631-E647 HydrophobicContact CE-CB 4.39Å; M631-E647 HydrophobicContact CE-CG 3.68Å; K643-E647 PolarHBondContact O-N 2.95Å; H644-E647 PolarHBondContact O-N 3Å; V645-E647 VanDerWaalsContact C-N 3.33Å; V645-E647 PolarHBondContact O-N 2.85Å; E647-F649 VanDerWaalsContact C-N 3.31Å; E647-F649 PolarHBondContact O-N 2.89Å; E647-R650 WeakPolarHBondContact O-CB 3.19Å; E647-R650 PolarHBondContact O-N 3.36Å; E647-R650 IonicContact OE1-CZ 2.98Å; E647-R650 IonicContact OE1-NE 3.05Å; E647-R650 PolarHBondContact OE1-NE 3.03Å; E647-R650 IonicContact OE1-NH2 2.8Å; E647-R650 PolarHBondContact OE1-NH2 3.31Å; E647-R650 IonicContact OE2-CZ 3.68Å; E647-R650 IonicContact OE2-NE 3.36Å; E647-R650 PolarHBondContact OE2-NE 2.88Å; E647-R650 IonicContact OE2-NH2 2.82Å; E647-L651 PolarHBondContact O-N 2.84Å
648	A	93.1	Very high	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-42	173.9	0	0	0	0	0	111.7	L627 S628 H644 V645 L651 L652	L627-A648 HydrophobicContact CB-CB 3.89Å; S628-A648 WeakPolarHBondContact OG-CB 2.96Å; H644-A648 WeakPolarHBondContact O-CB 3.5Å; H644-A648 PolarHBondContact O-N 3.28Å; V645-A648 PolarHBondContact O-N 3.24Å; A648-L651 PolarHBondContact O-N 3.16Å; A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 PolarHBondContact O-N 3.48Å
649	F	92.1	Very high	85.9	Confident	34 Å²	34	52.3 Å²	52.3	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-40.4	174.3	177.3	-110.9	0	0	0	112.2	Q597 L601 M624 V645 K646 E647 L652 N653	Q597-F649 HydrophobicContact CB-CD2 3.97Å; Q597-F649 HydrophobicContact CB-CE2 4.14Å; Q597-F649 HydrophobicContact CB-CG 4.28Å; Q597-F649 HydrophobicContact CG-CG 4.39Å; L601-F649 HydrophobicContact CB-CE2 4.18Å; L601-F649 HydrophobicContact CD1-CE2 4.08Å; M624-F649 HydrophobicContact CE-CD2 3.75Å; M624-F649 HydrophobicContact CE-CE2 4.49Å; V645-F649 VanDerWaalsContact O-CB 3.27Å; V645-F649 WeakPolarHBondContact O-CB 3.38Å; V645-F649 PolarHBondContact O-N 2.88Å; K646-F649 PolarHBondContact O-N 3.38Å; E647-F649 VanDerWaalsContact C-N 3.31Å; E647-F649 PolarHBondContact O-N 2.89Å; F649-L652 PolarHBondContact O-N 3.06Å; F649-N653 VanDerWaalsContact CD1-ND2 3.26Å; F649-N653 WeakPolarHBondContact CD1-ND2 3.19Å; F649-N653 WeakPolarHBondContact CE1-ND2 3.31Å; F649-N653 VanDerWaalsContact CE2-ND2 3.25Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.2Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.29Å; F649-N653 VanDerWaalsContact O-CB 3.31Å; F649-N653 WeakPolarHBondContact O-CB 3.42Å; F649-N653 PolarHBondContact O-N 3.18Å; F649-N653 PolarHBondContact O-ND2 2.87Å
650	R	91.8	Very high	83.9	Confident	74 Å²	74	52.6 Å²	52.6	28%	0.279	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-48.2	175	-171	-169.1	72.3	73.8	10.3	110.9	E363 K646 E647 N653 K654	E363-R650 IonicContact OE1-CZ 2.65Å; E363-R650 IonicContact OE1-NH1 2.9Å; E363-R650 PolarHBondContact OE1-NH1 3.44Å; E363-R650 IonicContact OE1-NH2 3.64Å; E363-R650 IonicContact OE2-CZ 3.45Å; E363-R650 IonicContact OE2-NH1 3.57Å; E363-R650 PolarHBondContact OE2-NH1 2.93Å; E363-R650 IonicContact OE2-NH2 2.8Å; E363-R650 PolarHBondContact OE2-NH2 3.21Å; K646-R650 WeakPolarHBondContact O-CB 3.19Å; K646-R650 PolarHBondContact O-N 3.04Å; E647-R650 WeakPolarHBondContact O-CB 3.19Å; E647-R650 PolarHBondContact O-N 3.36Å; E647-R650 IonicContact OE1-CZ 2.98Å; E647-R650 IonicContact OE1-NE 3.05Å; E647-R650 PolarHBondContact OE1-NE 3.03Å; E647-R650 IonicContact OE1-NH2 2.8Å; E647-R650 PolarHBondContact OE1-NH2 3.31Å; E647-R650 IonicContact OE2-CZ 3.68Å; E647-R650 IonicContact OE2-NE 3.36Å; E647-R650 PolarHBondContact OE2-NE 2.88Å; E647-R650 IonicContact OE2-NH2 2.82Å; R650-N653 PolarHBondContact O-N 2.85Å; R650-K654 WeakPolarHBondContact O-CG 3.45Å; R650-K654 PolarHBondContact O-N 3.29Å
651	L	90.6	Very high	81.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-44.8	179.8	-169.3	67.2	0	0	0	111.5	E363 L370 L532 F534 E647 A648 N653 K654 S655	E363-L651 HydrophobicContact CB-CD1 4.21Å; L370-L651 HydrophobicContact CD1-CD2 3.67Å; L532-L651 HydrophobicContact CD1-CD2 4.06Å; L532-L651 HydrophobicContact CD2-CG 4.45Å; F534-L651 HydrophobicContact CE1-CD1 4.11Å; F534-L651 HydrophobicContact CZ-CD1 4.15Å; F534-L651 HydrophobicContact CZ-CG 4.43Å; E647-L651 PolarHBondContact O-N 2.84Å; A648-L651 PolarHBondContact O-N 3.16Å; L651-N653 VanDerWaalsContact C-N 3.32Å; L651-N653 PolarHBondContact O-N 2.95Å; L651-K654 PolarHBondContact O-N 3.48Å; L651-S655 PolarHBondContact O-N 2.99Å
652	L	88.8	Confident	79.4	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-39.2	177.2	-171.3	64.2	0	0	0	112	L532 L601 M624 A648 F649 S655 I656	L532-L652 HydrophobicContact CD2-CD1 4.19Å; L601-L652 HydrophobicContact CD2-CD2 4.25Å; M624-L652 HydrophobicContact CB-CD2 4.3Å; M624-L652 HydrophobicContact CE-CD2 3.89Å; A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 PolarHBondContact O-N 3.48Å; F649-L652 PolarHBondContact O-N 3.06Å; L652-S655 WeakPolarHBondContact O-CB 3.49Å; L652-S655 PolarHBondContact O-N 2.9Å; L652-I656 PolarHBondContact O-N 3.28Å
653	N	85.3	Confident	77	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.15	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-38.9	175.2	-84.9	-48.3	0	0	0	113.2	L601 R604 F649 R650 L651 S655 I656	L601-N653 VanDerWaalsContact CD1-OD1 3.29Å; L601-N653 WeakPolarHBondContact CD1-OD1 3.38Å; R604-N653 VanDerWaalsContact CZ-OD1 3.23Å; R604-N653 PolarHBondContact NH1-OD1 2.64Å; R604-N653 PolarHBondContact NH2-OD1 2.93Å; F649-N653 VanDerWaalsContact CD1-ND2 3.26Å; F649-N653 WeakPolarHBondContact CD1-ND2 3.19Å; F649-N653 WeakPolarHBondContact CE1-ND2 3.31Å; F649-N653 VanDerWaalsContact CE2-ND2 3.25Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.2Å; F649-N653 WeakPolarHBondContact CZ-ND2 3.29Å; F649-N653 VanDerWaalsContact O-CB 3.31Å; F649-N653 WeakPolarHBondContact O-CB 3.42Å; F649-N653 PolarHBondContact O-N 3.18Å; F649-N653 PolarHBondContact O-ND2 2.87Å; R650-N653 PolarHBondContact O-N 2.85Å; L651-N653 VanDerWaalsContact C-N 3.32Å; L651-N653 PolarHBondContact O-N 2.95Å; N653-S655 PolarHBondContact O-N 3.15Å; N653-I656 PolarHBondContact O-N 3.48Å
654	K	83	Confident	74.9	Confident	138 Å²	138	53.9 Å²	53.9	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-68.6	-26.8	176.5	-72.8	-68.2	-174.7	178.2	0	112.3	R650 L651	R650-K654 WeakPolarHBondContact O-CG 3.45Å; R650-K654 PolarHBondContact O-N 3.29Å; L651-K654 PolarHBondContact O-N 3.48Å
655	S	80.7	Confident	72.7	Confident	11 Å²	11	56.4 Å²	56.4	8%	0.077	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-31.9	172.7	-179.7	0	0	0	0	113	F533 L651 L652 N653 I657	F533-S655 WeakPolarHBondContact CA-OG 3.34Å; F533-S655 PolarHBondContact N-OG 3.39Å; F533-S655 WeakPolarHBondContact O-CA 3.29Å; F533-S655 WeakPolarHBondContact O-CB 3.48Å; F533-S655 PolarHBondContact O-OG 3.38Å; L651-S655 PolarHBondContact O-N 2.99Å; L652-S655 WeakPolarHBondContact O-CB 3.49Å; L652-S655 PolarHBondContact O-N 2.9Å; N653-S655 PolarHBondContact O-N 3.15Å; S655-I657 PolarHBondContact O-N 3.39Å; S655-I657 VanDerWaalsContact O-N 3.17Å
656	I	72.1	Confident	70.6	Confident	34 Å²	34	57.1 Å²	57.1	17%	0.174	28%	0.279	C	S	.	.	S	Bend	trans	-85	91.1	-179.9	-57.1	166.1	0	0	0	109.3	L601 I616 L652 N653	L601-I656 HydrophobicContact CD1-CD1 4.09Å; I616-I656 HydrophobicContact CD1-CD1 4.27Å; L652-I656 PolarHBondContact O-N 3.28Å; N653-I656 PolarHBondContact O-N 3.48Å
657	I	65.6	Low	68.3	Low	55 Å²	55	53.6 Å²	53.6	28%	0.282	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-76.3	135.3	176.2	-58.5	-167	0	0	0	110.6	I535 S613 S655	I535-I657 HydrophobicContact CB-CD1 3.6Å; I535-I657 HydrophobicContact CD1-CB 4.06Å; I535-I657 HydrophobicContact CD1-CD1 3.55Å; I535-I657 HydrophobicContact CD1-CG1 3.82Å; I535-I657 HydrophobicContact CG1-CD1 4.17Å; I535-I657 HydrophobicContact CG2-CD1 4.13Å; S613-I657 PolarHBondContact OG-O 3.22Å; S655-I657 PolarHBondContact O-N 3.39Å; S655-I657 VanDerWaalsContact O-N 3.17Å
658	R	56.1	Low	66.1	Low	152 Å²	152	57.5 Å²	57.5	57%	0.574	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-70.9	138	173.9	-64.6	-176.6	177.6	-172.7	-2.3	109.5	E660	R658-E660 PolarHBondContact O-N 3.19Å
659	V	55.2	Low	63.9	Low	27 Å²	27	61 Å²	61	16%	0.164	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74	120.6	166	-177.1	0	0	0	0	105.8	S513 S613 T661	S513-V659 WeakPolarHBondContact O-CG1 3.12Å; S613-V659 VanDerWaalsContact CA-CG2 3.42Å; S613-V659 VanDerWaalsContact CB-CG2 3.5Å; V659-T661 PolarHBondContact O-N 3.02Å
660	E	51.3	Low	61.4	Low	112 Å²	112	65.3 Å²	65.3	52%	0.523	32%	0.321	S	S	.	.			trans	-71.2	115.5	166.7	-72.6	172.5	-176.7	0	0	105.4	R512 S513 R658 P662	R512-E660 HydrophobicContact CB-CB 4.38Å; R512-E660 WeakPolarHBondContact CD-OE2 3.44Å; R512-E660 IonicContact NH1-OE1 2.75Å; R512-E660 PolarHBondContact O-N 2.97Å; S513-E660 WeakPolarHBondContact CA-O 3.41Å; R658-E660 PolarHBondContact O-N 3.19Å; E660-P662 VanDerWaalsContact O-CD 3.27Å; E660-P662 WeakPolarHBondContact O-CD 3.48Å
661	T	50.6	Low	58.8	Low	99 Å²	99	69.1 Å²	69.1	61%	0.607	34%	0.342	S	S	*	.			trans	-65.6	118.5	173.8	38.5	0	0	0	0	108	V659	V659-T661 PolarHBondContact O-N 3.02Å
662	P	45.4	Very low	56.3	Low	82 Å²	82	74.2 Å²	74.2	53%	0.532	37%	0.368	S	S	.	.			trans	-67.8	155.2	175.2	30.8	-36	0	0	0	110.8	E660	E660-P662 VanDerWaalsContact O-CD 3.27Å; E660-P662 WeakPolarHBondContact O-CD 3.48Å
663	D	45.1	Very low	53.7	Low	91 Å²	91	81.4 Å²	81.4	49%	0.487	40%	0.402	S	S	.	.			trans	-6	135.8	176.1	-55.5	-28.4	0	0	0	118.8	N665 G716	D663-N665 PolarHBondContact O-N 2.89Å; D663-G716 WeakPolarHBondContact OD1-CA 3.5Å
664	V	48.9	Very low	51.3	Low	13 Å²	13	86.6 Å²	86.6	8%	0.079	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	104.2	176	170.2	0	0	0	0	109.1	L666 L715 F717	V664-L666 HydrophobicContact CG1-CD2 3.85Å; V664-L666 HydrophobicContact CG1-CG 4.27Å; V664-L666 PolarHBondContact O-N 3.41Å; V664-L715 PolarHBondContact N-O 2.99Å; V664-L715 VanDerWaalsContact N-O 3.1Å; V664-L715 PolarHBondContact O-N 3.3Å; V664-F717 HydrophobicContact CG2-CD2 4.24Å
665	N	48.3	Very low	49	Very low	67 Å²	67	87.6 Å²	87.6	36%	0.358	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	110.6	165.1	-79.2	-16.9	0	0	0	108.4	D663 D667 R714	D663-N665 PolarHBondContact O-N 2.89Å; N665-D667 PolarHBondContact O-N 3.26Å; N665-R714 WeakPolarHBondContact OD1-CG 3.43Å
666	L	52.3	Low	46.9	Very low	14 Å²	14	92.5 Å²	92.5	7%	0.073	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.9	177.4	-65.1	169.2	0	0	0	112.7	V664 L713 L715 I772 K775 V776	V664-L666 HydrophobicContact CG1-CD2 3.85Å; V664-L666 HydrophobicContact CG1-CG 4.27Å; V664-L666 PolarHBondContact O-N 3.41Å; L666-L713 PolarHBondContact N-O 3.17Å; L666-L715 HydrophobicContact CD1-CB 3.75Å; L666-L715 HydrophobicContact CD1-CD2 4.27Å; L666-L715 HydrophobicContact CG-CB 4.29Å; L666-I772 HydrophobicContact CD1-CG2 4.48Å; L666-K775 HydrophobicContact CB-CB 4.44Å; L666-K775 HydrophobicContact CB-CD 3.91Å; L666-K775 HydrophobicContact CD1-CB 4.4Å; L666-K775 HydrophobicContact CD2-CB 4.28Å; L666-K775 PolarHBondContact O-NZ 3.4Å; L666-V776 HydrophobicContact CD2-CG2 4.48Å
667	D	45.7	Very low	45.1	Very low	47 Å²	47	98 Å²	98	25%	0.251	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	12	-171.5	-69.6	-11.4	0	0	0	114.2	N665 E669 E670 S712 L713 K775	N665-D667 PolarHBondContact O-N 3.26Å; D667-E669 PolarHBondContact O-N 3.24Å; D667-E670 PolarHBondContact O-N 3.2Å; D667-S712 VanDerWaalsContact OD2-C 3.31Å; D667-S712 WeakPolarHBondContact OD2-CA 3.26Å; D667-L713 PolarHBondContact OD2-N 3.15Å; D667-K775 IonicContact OD1-NZ 3.51Å; D667-K775 PolarHBondContact OD1-NZ 3.04Å
668	Q	47	Very low	43.6	Very low	127 Å²	127	104 Å²	104	59%	0.593	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-1.8	176.9	-114.1	176.6	21.5	0	0	114.2
669	E	46	Very low	42.4	Very low	75 Å²	75	99.9 Å²	99.9	35%	0.35	53%	0.525	S	S	.	.	H	α-helix	trans	-91.7	-23	-174.6	-69.6	175.6	174.5	0	0	114.7	D667 Q673 H778 Y783	D667-E669 PolarHBondContact O-N 3.24Å; E669-Q673 PolarHBondContact O-N 3.37Å; E669-H778 IonicContact OE1-CE1 3.82Å; E669-H778 IonicContact OE1-ND1 3.72Å; E669-Y783 PolarHBondContact OE1-OH 3.06Å
670	E	39.2	Very low	41.4	Very low	123 Å²	123	103.4 Å²	103.4	58%	0.575	56%	0.556	S	S	*	*	H	α-helix	trans	-74.8	-26	176.1	-75.8	-169.4	179.9	0	0	112.4	D667 M674 K710	D667-E670 PolarHBondContact O-N 3.2Å; E670-M674 WeakPolarHBondContact O-CG 3.29Å; E670-K710 IonicContact OE1-NZ 3.35Å; E670-K710 PolarHBondContact OE1-NZ 2.87Å; E670-K710 IonicContact OE2-NZ 3.22Å; E670-K710 PolarHBondContact OE2-NZ 2.76Å
671	E	37.6	Very low	40.4	Very low	155 Å²	155	101.8 Å²	101.8	72%	0.724	57%	0.569	S	S	*	*	H	α-helix	trans	-82.9	-37.5	180	-74.8	-178.6	166.1	0	0	113.4	E675	E671-E675 PolarHBondContact O-N 3.35Å
672	I	37.7	Very low	39.3	Very low	107 Å²	107	101 Å²	101	55%	0.549	58%	0.581	S	S	.	*	H	α-helix	trans	-76.8	-32.6	-177.1	-60.4	173.2	0	0	0	111.3	V676	I672-V676 VanDerWaalsContact O-CG2 3.32Å; I672-V676 WeakPolarHBondContact O-CG2 3.23Å; I672-V676 PolarHBondContact O-N 3.14Å
673	Q	34.3	Very low	38.6	Very low	152 Å²	152	104.4 Å²	104.4	71%	0.71	59%	0.593	S	S	*	*	H	α-helix	trans	-75.4	-26.5	179.6	-130.1	160.6	12.9	0	0	112.5	E669	E669-Q673 PolarHBondContact O-N 3.37Å
674	M	34.9	Very low	37.9	Very low	138 Å²	138	107.7 Å²	107.7	68%	0.68	61%	0.611	S	S	*	*	H	α-helix	trans	-73.6	-35	172.4	-74.8	-177.9	58.9	0	0	112.9	E670 V676	E670-M674 WeakPolarHBondContact O-CG 3.29Å; M674-V676 VanDerWaalsContact C-N 3.34Å; M674-V676 PolarHBondContact O-N 3.05Å
675	E	35	Very low	37	Very low	159 Å²	159	110.7 Å²	110.7	74%	0.743	64%	0.644	S	S	*	*	H	α-helix	trans	-73.2	-23.8	178.2	-75.5	-169.9	162.9	0	0	113.6	E671	E671-E675 PolarHBondContact O-N 3.35Å
676	V	35.7	Very low	36	Very low	114 Å²	114	116.9 Å²	116.9	69%	0.691	67%	0.671	S	S	*	*	H	α-helix	trans	-83.9	-26.1	-179.4	179.9	0	0	0	0	112.2	I672 M674	I672-V676 VanDerWaalsContact O-CG2 3.32Å; I672-V676 WeakPolarHBondContact O-CG2 3.23Å; I672-V676 PolarHBondContact O-N 3.14Å; M674-V676 VanDerWaalsContact C-N 3.34Å; M674-V676 PolarHBondContact O-N 3.05Å
677	D	34.3	Very low	34.8	Very low	150 Å²	150	120.8 Å²	120.8	80%	0.802	71%	0.705	S	S	*	*	H	α-helix	trans	-88	-16.9	-177.4	-145.7	23.9	0	0	0	113.7
678	E	34.5	Very low	33.9	Very low	180 Å²	180	125.6 Å²	125.6	84%	0.841	73%	0.73	S	S	*	*	S	Bend	trans	-89.7	-2.3	173.4	-73.8	-165.9	154.2	0	0	114
679	G	31.6	Very low	32.9	Very low	66 Å²	66	124.6 Å²	124.6	68%	0.68	74%	0.737	S	S	*	*	S	Bend	trans	-92.4	13.6	-171	0	0	0	0	0	117.2
680	A	34.6	Very low	32.3	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	76%	0.756	S	S	*	*			trans	-132.3	70.8	-176	0	0	0	0	0	113.5
681	G	29	Very low	31.7	Very low	77 Å²	77	125.1 Å²	125.1	79%	0.794	77%	0.766	S	S	*	*			trans	-177.3	105.7	167.2	0	0	0	0	0	116.4
682	G	29.1	Very low	31.8	Very low	83 Å²	83	123 Å²	123	86%	0.856	77%	0.766	S	S	*	*			trans	102.8	114.2	140	0	0	0	0	0	118.9
683	I	30.5	Very low	31.3	Very low	154 Å²	154	123.8 Å²	123.8	79%	0.79	78%	0.775	S	S	*	*			trans	-72.6	131.4	171.6	-63.5	154.7	0	0	0	111.5
684	N	29.7	Very low	30.9	Very low	160 Å²	160	124.3 Å²	124.3	86%	0.856	78%	0.783	S	S	*	*			trans	156.5	138.3	130.2	-90.1	-40.8	0	0	0	114.8
685	G	29.1	Very low	30.6	Very low	75 Å²	75	121 Å²	121	77%	0.773	78%	0.784	S	S	*	*			trans	106.2	98.8	130.5	0	0	0	0	0	119.2
686	H	27.7	Very low	30.2	Very low	198 Å²	198	121 Å²	121	92%	0.917	79%	0.788	S	S	*	*			trans	-56.8	139.6	156	-98.5	-79.7	0	0	0	112.9
687	A	28.5	Very low	29.7	Very low	96 Å²	96	123 Å²	123	79%	0.793	79%	0.794	S	S	*	*			trans	-169.8	115.7	139.4	0	0	0	0	0	113.5
688	D	26.7	Very low	29.4	Very low	147 Å²	147	119.5 Å²	119.5	79%	0.786	79%	0.794	S	S	*	*			trans	29.2	119	140.7	-90.2	-43.8	0	0	0	125.1
689	S	25.4	Very low	29	Very low	106 Å²	106	121.6 Å²	121.6	74%	0.741	80%	0.796	S	S	*	*				85	154.8	117.5	-73.6	0	0	0	0	122
690	P	33.9	Very low	28.8	Very low	115 Å²	115	124.2 Å²	124.2	75%	0.747	80%	0.804	S	S	*	*			trans	-117.4	160.7	-130.7	41.6	-34.1	0	0	0	117.7
691	A	26	Very low	28.3	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	80%	0.801	S	S	*	*			trans	47.6	167.7	148.3	0	0	0	0	0	120
692	P	38.8	Very low	28.1	Very low	112 Å²	112	130.6 Å²	130.6	73%	0.727	80%	0.801	S	S	*	*			cis	-138.8	160.4	3.4	38.3	-17.2	0	0	0	117.7
693	V	27.9	Very low	28.1	Very low	122 Å²	122	134.6 Å²	134.6	74%	0.739	80%	0.801	S	S	*	*				56.9	127.5	129.6	-175.2	0	0	0	0	123.7
694	N	26.8	Very low	28	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	80%	0.797	S	S	*	*			trans	82.7	121.1	148.5	-79.4	-8	0	0	0	122.7
695	G	26.9	Very low	27.9	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	80%	0.8	S	S	*	*				122.4	85.7	122.1	0	0	0	0	0	119.3
696	I	26.9	Very low	27.8	Very low	158 Å²	158	140.2 Å²	140.2	81%	0.81	80%	0.803	S	S	*	*				50.1	129.5	129.4	-61.3	169.5	0	0	0	121.2
697	N	26.1	Very low	27.9	Very low	156 Å²	156	136.3 Å²	136.3	83%	0.834	80%	0.798	S	S	*	*			trans	102.4	117.2	153.7	-78.4	-9.8	0	0	0	120.3
698	G	27.5	Very low	27.9	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	79%	0.794	S	S	*	*			trans	166.9	95	157.8	0	0	0	0	0	114.1
699	Y	26.2	Very low	28.3	Very low	223 Å²	223	135 Å²	135	88%	0.875	80%	0.796	S	S	*	*			trans	-61.3	145.4	177.7	-83.3	-105	0	0	0	115
700	S	27.2	Very low	28.8	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	79%	0.794	S	S	*	*			trans	-161	138.2	135.5	55.1	0	0	0	0	111.5
701	E	24.9	Very low	29.1	Very low	165 Å²	165	136.1 Å²	136.1	77%	0.771	79%	0.792	S	S	*	*			trans	-77.4	165.8	-164.8	-63.6	166.7	137.6	0	0	116.1
702	D	25.3	Very low	30.1	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	78%	0.777	S	S	*	*			trans	73.3	126.4	154.1	-57.1	-27.2	0	0	0	118
703	I	29.3	Very low	31	Very low	166 Å²	166	130.3 Å²	130.3	85%	0.851	75%	0.747	S	S	*	*			cis	-152	141.5	35.9	-69.3	175.9	0	0	0	110.9
704	N	27	Very low	32.3	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	74%	0.742	S	S	*	*			trans	-55.9	139.1	172.2	-103.1	-19.2	0	0	0	116.3
705	Q	27.5	Very low	34.4	Very low	196 Å²	196	125 Å²	125	92%	0.916	70%	0.702	S	S	*	*				-157.4	97.7	123.2	-107.2	174.9	20.3	0	0	109.2	S707	Q705-S707 PolarHBondContact O-N 3.45Å
706	E	27.8	Very low	36.1	Very low	180 Å²	180	122.6 Å²	122.6	84%	0.841	68%	0.677	S	S	*	*			trans	-67	117.9	167.7	-71.9	176.7	150.2	0	0	109.3
707	S	30.3	Very low	37.9	Very low	116 Å²	116	120.4 Å²	120.4	81%	0.811	66%	0.661	S	S	*	*			trans	-77.3	114.9	160.3	44.6	0	0	0	0	108.5	Q705	Q705-S707 PolarHBondContact O-N 3.45Å
708	A	28.6	Very low	39.9	Very low	87 Å²	87	117.6 Å²	117.6	72%	0.719	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56.9	143.8	170.2	0	0	0	0	0	110.4	K710	A708-K710 PolarHBondContact O-N 3.17Å
709	P	34.3	Very low	41.9	Very low	127 Å²	127	116.7 Å²	116.7	83%	0.825	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.7	177.4	26.9	-31.7	0	0	0	109.6	A711	P709-A711 PolarHBondContact O-N 2.88Å
710	K	36.3	Very low	44.2	Very low	162 Å²	162	106.5 Å²	106.5	70%	0.704	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-58.2	124.1	171.2	-78.8	177.3	177	171.7	0	108.9	E670 A708 S712	E670-K710 IonicContact OE1-NZ 3.35Å; E670-K710 PolarHBondContact OE1-NZ 2.87Å; E670-K710 IonicContact OE2-NZ 3.22Å; E670-K710 PolarHBondContact OE2-NZ 2.76Å; A708-K710 PolarHBondContact O-N 3.17Å; K710-S712 PolarHBondContact O-N 2.87Å
711	A	40	Very low	46.4	Very low	84 Å²	84	102.5 Å²	102.5	69%	0.694	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-67.5	117.3	175	0	0	0	0	0	110.2	P709 L713	P709-A711 PolarHBondContact O-N 2.88Å; A711-L713 PolarHBondContact O-N 3.19Å
712	S	46.6	Very low	49	Very low	68 Å²	68	99.7 Å²	99.7	48%	0.476	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-64.8	127.3	176.6	60.5	0	0	0	0	111.5	D667 K710 R714	D667-S712 VanDerWaalsContact OD2-C 3.31Å; D667-S712 WeakPolarHBondContact OD2-CA 3.26Å; K710-S712 PolarHBondContact O-N 2.87Å; S712-R714 PolarHBondContact O-N 3.07Å
713	L	58.5	Low	51.6	Low	16 Å²	16	92.7 Å²	92.7	8%	0.084	51%	0.505	C	S	.	.			trans	-77.3	110.1	174.9	-84	165.1	0	0	0	110.7	L666 D667 A711 N768 R771 I772 K775	L666-L713 PolarHBondContact N-O 3.17Å; D667-L713 PolarHBondContact OD2-N 3.15Å; A711-L713 PolarHBondContact O-N 3.19Å; L713-N768 WeakPolarHBondContact CD2-OD1 3.46Å; L713-R771 HydrophobicContact CD1-CG 3.9Å; L713-R771 VanDerWaalsContact CG-NH2 3.25Å; L713-I772 HydrophobicContact CD2-CD1 4.32Å; L713-I772 HydrophobicContact CD2-CG1 3.94Å; L713-K775 HydrophobicContact CD1-CD 4.3Å
714	R	55.6	Low	54	Low	171 Å²	171	85 Å²	85	65%	0.645	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	131	172.5	-55.5	-169.1	-178.9	175	-2.1	109.2	N665 S712	N665-R714 WeakPolarHBondContact OD1-CG 3.43Å; S712-R714 PolarHBondContact O-N 3.07Å
715	L	68.9	Low	56.6	Low	3 Å²	3	81.2 Å²	81.2	2%	0.016	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.9	175.6	-171.4	73.4	0	0	0	109.1	V664 L666 E719 Y720 I723 I772 V776	V664-L715 PolarHBondContact N-O 2.99Å; V664-L715 VanDerWaalsContact N-O 3.1Å; V664-L715 PolarHBondContact O-N 3.3Å; L666-L715 HydrophobicContact CD1-CB 3.75Å; L666-L715 HydrophobicContact CD1-CD2 4.27Å; L666-L715 HydrophobicContact CG-CB 4.29Å; L715-E719 HydrophobicContact CD1-CB 4.17Å; L715-E719 HydrophobicContact CD1-CG 3.99Å; L715-E719 HydrophobicContact CG-CB 4.41Å; L715-Y720 HydrophobicContact CD2-CD2 4.05Å; L715-I723 HydrophobicContact CD2-CD1 4.32Å; L715-I772 HydrophobicContact CD1-CG2 3.83Å; L715-I772 HydrophobicContact CD2-CG2 4.09Å; L715-V776 HydrophobicContact CD2-CG2 3.65Å
716	G	63.5	Low	59.2	Low	18 Å²	18	74.3 Å²	74.3	19%	0.186	42%	0.415	C	S	.	.			trans	-63.3	141	177	0	0	0	0	0	111.4	D663 S718 E719 Y720	D663-G716 WeakPolarHBondContact OD1-CA 3.5Å; G716-S718 VanDerWaalsContact C-N 3.26Å; G716-S718 PolarHBondContact O-N 2.69Å; G716-E719 PolarHBondContact O-N 2.97Å; G716-Y720 PolarHBondContact O-N 2.81Å
717	F	64	Low	61.9	Low	111 Å²	111	65.8 Å²	65.8	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-34.4	-177.8	-178.7	-103.1	0	0	0	112.8	V664 Y720 C721	V664-F717 HydrophobicContact CG2-CD2 4.24Å; F717-Y720 HydrophobicContact CD2-CD1 4.44Å; F717-Y720 WeakPolarHBondContact O-CB 3.38Å; F717-Y720 PolarHBondContact O-N 2.88Å; F717-C721 VanDerWaalsContact CE1-SG 3.52Å; F717-C721 WeakPolarHBondContact CZ-SG 3.46Å; F717-C721 WeakPolarHBondContact O-CB 3.36Å; F717-C721 PolarHBondContact O-N 2.93Å; F717-C721 PolarHBondContact O-SG 3.32Å
718	S	67.9	Low	64.3	Low	98 Å²	98	60.3 Å²	60.3	69%	0.685	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-39	173.7	54.7	0	0	0	0	112.5	G716 R722	G716-S718 VanDerWaalsContact C-N 3.26Å; G716-S718 PolarHBondContact O-N 2.69Å; S718-R722 WeakPolarHBondContact O-CB 3.45Å; S718-R722 PolarHBondContact O-N 2.78Å
719	E	69.4	Low	66.9	Low	58 Å²	58	60.9 Å²	60.9	27%	0.271	33%	0.327	S	S	.	.	H	α-helix	trans	-70.4	-39.9	175.5	-161.7	176.6	-179.1	0	0	110.4	L715 G716 R722 I723 K769	L715-E719 HydrophobicContact CD1-CB 4.17Å; L715-E719 HydrophobicContact CD1-CG 3.99Å; L715-E719 HydrophobicContact CG-CB 4.41Å; G716-E719 PolarHBondContact O-N 2.97Å; E719-R722 PolarHBondContact O-N 2.83Å; E719-I723 HydrophobicContact CG-CD1 4.12Å; E719-I723 WeakPolarHBondContact O-CB 3.36Å; E719-I723 WeakPolarHBondContact O-CD1 3.5Å; E719-I723 WeakPolarHBondContact O-CG1 3.25Å; E719-I723 PolarHBondContact O-N 3.24Å; E719-K769 IonicContact OE1-NZ 2.97Å; E719-K769 PolarHBondContact OE1-NZ 3.13Å
720	Y	76.1	Confident	69.2	Low	9 Å²	9	56.4 Å²	56.4	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-50.7	172	180	-104.3	0	0	0	112.2	L715 G716 F717 R722 I723 S724 V776 D784	L715-Y720 HydrophobicContact CD2-CD2 4.05Å; G716-Y720 PolarHBondContact O-N 2.81Å; F717-Y720 HydrophobicContact CD2-CD1 4.44Å; F717-Y720 WeakPolarHBondContact O-CB 3.38Å; F717-Y720 PolarHBondContact O-N 2.88Å; Y720-R722 VanDerWaalsContact C-N 3.34Å; Y720-R722 PolarHBondContact O-N 3.2Å; Y720-I723 PolarHBondContact O-N 2.79Å; Y720-S724 WeakPolarHBondContact O-CB 3.25Å; Y720-S724 PolarHBondContact O-N 2.83Å; Y720-S724 PolarHBondContact O-OG 3.27Å; Y720-V776 HydrophobicContact CD2-CG1 4.09Å; Y720-V776 HydrophobicContact CD2-CG2 3.98Å; Y720-V776 HydrophobicContact CE2-CB 4.4Å; Y720-V776 HydrophobicContact CE2-CG1 3.82Å; Y720-V776 HydrophobicContact CE2-CG2 4.2Å; Y720-D784 PolarHBondContact OH-OD2 3.1Å
721	C	72.5	Confident	71.3	Confident	38 Å²	38	48.9 Å²	48.9	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-38.8	177.4	-76.5	0	0	0	0	112.4	F717 S724 N725	F717-C721 VanDerWaalsContact CE1-SG 3.52Å; F717-C721 WeakPolarHBondContact CZ-SG 3.46Å; F717-C721 WeakPolarHBondContact O-CB 3.36Å; F717-C721 PolarHBondContact O-N 2.93Å; F717-C721 PolarHBondContact O-SG 3.32Å; C721-S724 VanDerWaalsContact CA-OG 3.29Å; C721-S724 WeakPolarHBondContact CA-OG 3.47Å; C721-S724 PolarHBondContact O-N 2.9Å; C721-S724 PolarHBondContact O-OG 3.16Å; C721-N725 VanDerWaalsContact O-CB 3.25Å; C721-N725 WeakPolarHBondContact O-CB 3.24Å; C721-N725 PolarHBondContact O-N 2.74Å; C721-N725 PolarHBondContact O-ND2 2.83Å; C721-N725 PolarHBondContact O-OD1 3.15Å
722	R	79	Confident	73.1	Confident	106 Å²	106	48.3 Å²	48.3	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-47.4	174.9	-175	-179.9	71.8	141.8	1.1	110.8	S718 E719 Y720 N725 L726	S718-R722 WeakPolarHBondContact O-CB 3.45Å; S718-R722 PolarHBondContact O-N 2.78Å; E719-R722 PolarHBondContact O-N 2.83Å; Y720-R722 VanDerWaalsContact C-N 3.34Å; Y720-R722 PolarHBondContact O-N 3.2Å; R722-N725 PolarHBondContact O-N 3.23Å; R722-L726 HydrophobicContact CG-CD1 4.27Å; R722-L726 WeakPolarHBondContact O-CG 3.25Å; R722-L726 PolarHBondContact O-N 2.95Å
723	I	81.5	Confident	74.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-45.1	180	-65.7	170.6	0	0	0	110.7	L715 E719 Y720 N725 L726 I727 Y752 I773 V776	L715-I723 HydrophobicContact CD2-CD1 4.32Å; E719-I723 HydrophobicContact CG-CD1 4.12Å; E719-I723 WeakPolarHBondContact O-CB 3.36Å; E719-I723 WeakPolarHBondContact O-CD1 3.5Å; E719-I723 WeakPolarHBondContact O-CG1 3.25Å; E719-I723 PolarHBondContact O-N 3.24Å; Y720-I723 PolarHBondContact O-N 2.79Å; I723-N725 VanDerWaalsContact C-N 3.33Å; I723-N725 PolarHBondContact O-N 3.17Å; I723-L726 PolarHBondContact O-N 2.85Å; I723-I727 HydrophobicContact CG2-CD1 3.85Å; I723-I727 HydrophobicContact CG2-CG1 4.49Å; I723-I727 VanDerWaalsContact O-CG1 3.28Å; I723-I727 WeakPolarHBondContact O-CG1 3.35Å; I723-I727 PolarHBondContact O-N 2.91Å; I723-Y752 HydrophobicContact CB-CE2 4.45Å; I723-Y752 VanDerWaalsContact CD1-OH 3.24Å; I723-Y752 WeakPolarHBondContact CD1-OH 3.4Å; I723-Y752 HydrophobicContact CG1-CE2 4.1Å; I723-Y752 VanDerWaalsContact CG1-OH 3.23Å; I723-Y752 WeakPolarHBondContact CG1-OH 3.47Å; I723-Y752 HydrophobicContact CG2-CE2 3.88Å; I723-I773 HydrophobicContact CG2-CD1 3.55Å; I723-V776 HydrophobicContact CG2-CG1 3.9Å
724	S	78.6	Confident	75.6	Confident	5 Å²	5	50.9 Å²	50.9	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-41.9	178.1	65.2	0	0	0	0	111.8	Y720 C721 I727 V728	Y720-S724 WeakPolarHBondContact O-CB 3.25Å; Y720-S724 PolarHBondContact O-N 2.83Å; Y720-S724 PolarHBondContact O-OG 3.27Å; C721-S724 VanDerWaalsContact CA-OG 3.29Å; C721-S724 WeakPolarHBondContact CA-OG 3.47Å; C721-S724 PolarHBondContact O-N 2.9Å; C721-S724 PolarHBondContact O-OG 3.16Å; S724-I727 PolarHBondContact O-N 2.78Å; S724-V728 WeakPolarHBondContact O-CB 3.34Å; S724-V728 VanDerWaalsContact O-CG2 3.27Å; S724-V728 WeakPolarHBondContact O-CG2 3.46Å; S724-V728 PolarHBondContact O-N 2.82Å
725	N	81.2	Confident	76.4	Confident	53 Å²	53	46.9 Å²	46.9	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-41.3	179.2	-71.2	-4.1	0	0	0	111.7	C721 R722 I723 V728 L729	C721-N725 VanDerWaalsContact O-CB 3.25Å; C721-N725 WeakPolarHBondContact O-CB 3.24Å; C721-N725 PolarHBondContact O-N 2.74Å; C721-N725 PolarHBondContact O-ND2 2.83Å; C721-N725 PolarHBondContact O-OD1 3.15Å; R722-N725 PolarHBondContact O-N 3.23Å; I723-N725 VanDerWaalsContact C-N 3.33Å; I723-N725 PolarHBondContact O-N 3.17Å; N725-V728 PolarHBondContact O-N 3.49Å; N725-L729 VanDerWaalsContact O-CB 3.3Å; N725-L729 WeakPolarHBondContact O-CB 3.43Å; N725-L729 VanDerWaalsContact O-CG 3.27Å; N725-L729 WeakPolarHBondContact O-CG 3.35Å; N725-L729 PolarHBondContact O-N 3.14Å
726	L	82.8	Confident	76.5	Confident	51 Å²	51	54.6 Å²	54.6	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-46.1	174.5	-79.3	166.4	0	0	0	111.8	R722 I723 L729 H730	R722-L726 HydrophobicContact CG-CD1 4.27Å; R722-L726 WeakPolarHBondContact O-CG 3.25Å; R722-L726 PolarHBondContact O-N 2.95Å; I723-L726 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 2.97Å; L726-H730 WeakPolarHBondContact O-CB 3.47Å; L726-H730 PolarHBondContact O-N 3Å
727	I	83.6	Confident	76.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-48.3	177.7	-68.7	167	0	0	0	111.2	I723 S724 H730 L731 L748 I773 V776 I777 L780 L787	I723-I727 HydrophobicContact CG2-CD1 3.85Å; I723-I727 HydrophobicContact CG2-CG1 4.49Å; I723-I727 VanDerWaalsContact O-CG1 3.28Å; I723-I727 WeakPolarHBondContact O-CG1 3.35Å; I723-I727 PolarHBondContact O-N 2.91Å; S724-I727 PolarHBondContact O-N 2.78Å; I727-H730 PolarHBondContact O-N 3.48Å; I727-L731 HydrophobicContact CG2-CD1 3.79Å; I727-L731 HydrophobicContact CG2-CG 4.43Å; I727-L731 WeakPolarHBondContact O-CB 3.5Å; I727-L731 WeakPolarHBondContact O-CG 3.46Å; I727-L731 PolarHBondContact O-N 2.82Å; I727-L748 HydrophobicContact CG2-CD1 4.36Å; I727-L748 HydrophobicContact CG2-CD2 3.89Å; I727-I773 HydrophobicContact CD1-CD1 3.65Å; I727-I773 HydrophobicContact CG1-CD1 4.39Å; I727-V776 HydrophobicContact CD1-CG1 4.41Å; I727-I777 HydrophobicContact CD1-CG1 4.24Å; I727-L780 HydrophobicContact CD1-CD1 4.07Å; I727-L787 HydrophobicContact CG2-CD1 4.28Å
728	V	82.3	Confident	76.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-41.8	-178.2	170.2	0	0	0	0	111.3	S724 N725 R732 V786 V813 Y817 L819	S724-V728 WeakPolarHBondContact O-CB 3.34Å; S724-V728 VanDerWaalsContact O-CG2 3.27Å; S724-V728 WeakPolarHBondContact O-CG2 3.46Å; S724-V728 PolarHBondContact O-N 2.82Å; N725-V728 PolarHBondContact O-N 3.49Å; V728-R732 WeakPolarHBondContact O-CB 3.25Å; V728-R732 WeakPolarHBondContact O-CG 3.2Å; V728-R732 PolarHBondContact O-N 2.86Å; V728-V786 HydrophobicContact CG2-CG1 3.72Å; V728-V813 HydrophobicContact CG1-CG1 4.09Å; V728-V813 HydrophobicContact CG1-CG2 4.43Å; V728-Y817 HydrophobicContact CG1-CD1 4.11Å; V728-Y817 HydrophobicContact CG1-CE1 4.11Å; V728-Y817 HydrophobicContact CG2-CD1 4.45Å; V728-Y817 HydrophobicContact CG2-CE1 4.09Å; V728-L819 HydrophobicContact CB-CD2 4.4Å; V728-L819 HydrophobicContact CG1-CD1 4.44Å; V728-L819 HydrophobicContact CG1-CD2 4Å; V728-L819 HydrophobicContact CG1-CG 4.29Å
729	L	83	Confident	75.7	Confident	99 Å²	99	63.9 Å²	63.9	52%	0.518	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-42.3	176	-78.2	168	0	0	0	111.7	N725 L726 K733 L819	N725-L729 VanDerWaalsContact O-CB 3.3Å; N725-L729 WeakPolarHBondContact O-CB 3.43Å; N725-L729 VanDerWaalsContact O-CG 3.27Å; N725-L729 WeakPolarHBondContact O-CG 3.35Å; N725-L729 PolarHBondContact O-N 3.14Å; L726-L729 PolarHBondContact O-N 2.97Å; L729-K733 VanDerWaalsContact O-CB 3.29Å; L729-K733 WeakPolarHBondContact O-CB 3.43Å; L729-K733 PolarHBondContact O-N 3.49Å; L729-L819 HydrophobicContact CD2-CD1 3.76Å; L729-L819 HydrophobicContact CG-CD1 4.21Å
730	H	81.9	Confident	74.8	Confident	33 Å²	33	70.5 Å²	70.5	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-46.5	177.7	-178.8	-100.1	0	0	0	112.1	L726 I727 R732 K733 V734 W751	L726-H730 WeakPolarHBondContact O-CB 3.47Å; L726-H730 PolarHBondContact O-N 3Å; I727-H730 PolarHBondContact O-N 3.48Å; H730-R732 PolarHBondContact O-N 2.88Å; H730-K733 PolarHBondContact O-N 2.98Å; H730-V734 WeakPolarHBondContact O-CG2 3.29Å; H730-V734 PolarHBondContact O-N 3Å; H730-W751 HydrophobicContact CB-CE3 4.29Å; H730-W751 HydrophobicContact CB-CH2 3.4Å; H730-W751 HydrophobicContact CB-CZ2 3.65Å; H730-W751 HydrophobicContact CB-CZ3 3.74Å; H730-W751 AromaticContact CD2-CD1 3.98Å; H730-W751 AromaticContact CD2-CD2 3.73Å; H730-W751 AromaticContact CD2-CE2 3.1Å; H730-W751 AromaticContact CD2-CH2 3.94Å; H730-W751 AromaticContact CD2-CZ2 3.24Å; H730-W751 WeakPolarHBondContact CD2-CZ2 3.4Å; H730-W751 AromaticContact CD2-NE1 3.28Å; H730-W751 PolarHBondContact CD2-NE1 3.09Å; H730-W751 VanDerWaalsContact CD2-NE1 3.28Å; H730-W751 AromaticContact CE1-CD1 3.78Å; H730-W751 AromaticContact CE1-CD2 3.69Å; H730-W751 AromaticContact CE1-CE2 3.85Å; H730-W751 AromaticContact CE1-CG 3.71Å; H730-W751 AromaticContact CE1-NE1 3.86Å; H730-W751 AromaticContact CG-CD2 3.73Å; H730-W751 AromaticContact CG-CE2 3.47Å; H730-W751 VanDerWaalsContact CG-CE2 3.47Å; H730-W751 AromaticContact CG-CE3 3.9Å; H730-W751 AromaticContact CG-CH2 3.63Å; H730-W751 AromaticContact CG-CZ2 3.44Å; H730-W751 VanDerWaalsContact CG-CZ2 3.44Å; H730-W751 AromaticContact CG-CZ3 3.85Å; H730-W751 AromaticContact ND1-CD2 3.72Å; H730-W751 AromaticContact ND1-CE2 3.93Å; H730-W751 AromaticContact ND1-CE3 3.87Å; H730-W751 AromaticContact NE2-CD1 3.38Å; H730-W751 AromaticContact NE2-CD2 3.71Å; H730-W751 AromaticContact NE2-CE2 3.38Å; H730-W751 AromaticContact NE2-CG 3.75Å; H730-W751 AromaticContact NE2-NE1 3.13Å; H730-W751 PolarHBondContact NE2-NE1 2.65Å; H730-W751 VanDerWaalsContact NE2-NE1 3.13Å
731	L	80.1	Confident	73.9	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-41.8	178	-73.3	170.1	0	0	0	112	I727 K733 V734 E735 L743 L748 L787 V813	I727-L731 HydrophobicContact CG2-CD1 3.79Å; I727-L731 HydrophobicContact CG2-CG 4.43Å; I727-L731 WeakPolarHBondContact O-CB 3.5Å; I727-L731 WeakPolarHBondContact O-CG 3.46Å; I727-L731 PolarHBondContact O-N 2.82Å; L731-K733 PolarHBondContact O-N 2.97Å; L731-V734 PolarHBondContact O-N 2.93Å; L731-E735 WeakPolarHBondContact O-CB 3.34Å; L731-E735 WeakPolarHBondContact O-CG 3.19Å; L731-E735 PolarHBondContact O-N 2.62Å; L731-L743 HydrophobicContact CD2-CB 4.06Å; L731-L743 HydrophobicContact CD2-CD1 3.96Å; L731-L748 HydrophobicContact CD1-CD2 4.24Å; L731-L748 HydrophobicContact CD2-CD1 4.17Å; L731-L748 HydrophobicContact CG-CD1 4.22Å; L731-L787 HydrophobicContact CD1-CD2 3.43Å; L731-L787 VanDerWaalsContact CD1-CD2 3.43Å; L731-V813 HydrophobicContact CB-CG2 3.51Å; L731-V813 HydrophobicContact CD1-CG2 3.87Å; L731-V813 HydrophobicContact CG-CG2 4.36Å
732	R	78.6	Confident	73.4	Confident	71 Å²	71	72.3 Å²	72.3	27%	0.268	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-40.9	173.7	-79.4	-173.8	172.4	179.5	-1.1	113.1	V728 H730 V734 E735 E736 Y817	V728-R732 WeakPolarHBondContact O-CB 3.25Å; V728-R732 WeakPolarHBondContact O-CG 3.2Å; V728-R732 PolarHBondContact O-N 2.86Å; H730-R732 PolarHBondContact O-N 2.88Å; R732-V734 VanDerWaalsContact C-N 3.33Å; R732-E735 PolarHBondContact O-N 2.81Å; R732-E736 WeakPolarHBondContact O-CG 3.49Å; R732-E736 PolarHBondContact O-N 2.66Å; R732-Y817 PolarHBondContact NH2-O 2.82Å
733	K	79.9	Confident	73.2	Confident	114 Å²	114	68.5 Å²	68.5	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-39.4	178.5	-174.2	178.1	174.6	-175.1	0	111.5	L729 H730 L731 E736 E737	L729-K733 VanDerWaalsContact O-CB 3.29Å; L729-K733 WeakPolarHBondContact O-CB 3.43Å; L729-K733 PolarHBondContact O-N 3.49Å; H730-K733 PolarHBondContact O-N 2.98Å; L731-K733 PolarHBondContact O-N 2.97Å; K733-E736 PolarHBondContact O-N 3.21Å; K733-E737 WeakPolarHBondContact CE-OE1 3.34Å; K733-E737 HydrophobicContact CG-CG 4.46Å; K733-E737 IonicContact NZ-OE1 3.82Å; K733-E737 WeakPolarHBondContact O-CB 3.35Å; K733-E737 WeakPolarHBondContact O-CG 3.4Å; K733-E737 PolarHBondContact O-N 3.44Å
734	V	77.1	Confident	73.2	Confident	25 Å²	25	71.7 Å²	71.7	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-37.6	176.4	174.6	0	0	0	0	111.3	H730 L731 R732 E736 E737 E738 L743	H730-V734 WeakPolarHBondContact O-CG2 3.29Å; H730-V734 PolarHBondContact O-N 3Å; L731-V734 PolarHBondContact O-N 2.93Å; R732-V734 VanDerWaalsContact C-N 3.33Å; V734-E736 VanDerWaalsContact C-N 3.26Å; V734-E736 PolarHBondContact O-N 2.89Å; V734-E737 PolarHBondContact O-N 2.59Å; V734-E738 PolarHBondContact O-N 3.44Å; V734-L743 HydrophobicContact CB-CD1 3.86Å; V734-L743 HydrophobicContact CG1-CD1 3.64Å; V734-L743 HydrophobicContact CG1-CG 4.36Å; V734-L743 HydrophobicContact CG2-CD1 3.82Å
735	E	72.8	Confident	73.2	Confident	86 Å²	86	74.1 Å²	74.1	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-32.9	170.1	-75.9	172	-168.8	0	0	112.6	L731 R732 V812 V813	L731-E735 WeakPolarHBondContact O-CB 3.34Å; L731-E735 WeakPolarHBondContact O-CG 3.19Å; L731-E735 PolarHBondContact O-N 2.62Å; R732-E735 PolarHBondContact O-N 2.81Å; E735-V812 WeakPolarHBondContact OE1-CG1 3.23Å; E735-V813 PolarHBondContact OE1-N 3.12Å
736	E	71.6	Confident	73.2	Confident	166 Å²	166	73.9 Å²	73.9	78%	0.776	37%	0.366	S	S	*	.	H	α-helix	trans	-81.8	-30.1	177.3	-75.1	180	180	0	0	114	R732 K733 V734	R732-E736 WeakPolarHBondContact O-CG 3.49Å; R732-E736 PolarHBondContact O-N 2.66Å; K733-E736 PolarHBondContact O-N 3.21Å; V734-E736 VanDerWaalsContact C-N 3.26Å; V734-E736 PolarHBondContact O-N 2.89Å
737	E	69.5	Low	73.2	Confident	136 Å²	136	75.8 Å²	75.8	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-88.9	-31.4	-175.7	-74.8	-179.5	174	0	0	113.4	K733 V734	K733-E737 WeakPolarHBondContact CE-OE1 3.34Å; K733-E737 HydrophobicContact CG-CG 4.46Å; K733-E737 IonicContact NZ-OE1 3.82Å; K733-E737 WeakPolarHBondContact O-CB 3.35Å; K733-E737 WeakPolarHBondContact O-CG 3.4Å; K733-E737 PolarHBondContact O-N 3.44Å; V734-E737 PolarHBondContact O-N 2.59Å
738	E	56.7	Low	73.1	Confident	122 Å²	122	75.9 Å²	75.9	57%	0.57	37%	0.374	S	S	*	.			trans	-128.1	103.8	179.6	-68	-167.7	-179	0	0	111.1	V734 E740 S741	V734-E738 PolarHBondContact O-N 3.44Å; E738-E740 PolarHBondContact O-N 3.47Å; E738-S741 WeakPolarHBondContact CB-OG 3.37Å; E738-S741 WeakPolarHBondContact OE2-CB 3.32Å; E738-S741 PolarHBondContact OE2-OG 2.89Å
739	D	50.8	Low	73.2	Confident	164 Å²	164	76.1 Å²	76.1	88%	0.877	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-5.1	-174.4	-93.7	-31.9	0	0	0	116.1
740	E	51.8	Low	73.2	Confident	196 Å²	196	76.1 Å²	76.1	92%	0.916	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	4.8	-176.9	-74.5	-167.2	158.6	0	0	117.1	E738	E738-E740 PolarHBondContact O-N 3.47Å
741	S	57.7	Low	73.5	Confident	46 Å²	46	77.4 Å²	77.4	32%	0.322	38%	0.38	S	S	.	.			trans	-101.4	102.9	-177.5	71.6	0	0	0	0	113	E738	E738-S741 WeakPolarHBondContact CB-OG 3.37Å; E738-S741 WeakPolarHBondContact OE2-CB 3.32Å; E738-S741 PolarHBondContact OE2-OG 2.89Å
742	A	62.1	Low	73.6	Confident	40 Å²	40	77.3 Å²	77.3	33%	0.331	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.1	134.1	164	0	0	0	0	0	109.8	Y810 V812	A742-Y810 HydrophobicContact CB-CD1 3.61Å; A742-Y810 HydrophobicContact CB-CE1 4.45Å; A742-Y810 HydrophobicContact CB-CG 4Å; A742-Y810 WeakPolarHBondContact O-CD1 3.16Å; A742-Y810 WeakPolarHBondContact O-CE1 3.45Å; A742-V812 HydrophobicContact CB-CG2 4.49Å
743	L	73.6	Confident	73.9	Confident	25 Å²	25	75.1 Å²	75.1	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.8	177.8	-96.7	149.6	0	0	0	111.1	L731 V734 E747 L811	L731-L743 HydrophobicContact CD2-CB 4.06Å; L731-L743 HydrophobicContact CD2-CD1 3.96Å; V734-L743 HydrophobicContact CB-CD1 3.86Å; V734-L743 HydrophobicContact CG1-CD1 3.64Å; V734-L743 HydrophobicContact CG1-CG 4.36Å; V734-L743 HydrophobicContact CG2-CD1 3.82Å; L743-E747 HydrophobicContact CD2-CB 3.76Å; L743-L811 PolarHBondContact O-N 2.85Å
744	K	81	Confident	74.2	Confident	68 Å²	68	77 Å²	77	30%	0.296	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	152.2	172.8	-67	-177.9	179.4	-179.1	0	111.4	S746 E747 L748 D808 Y810	K744-S746 VanDerWaalsContact C-N 3.27Å; K744-S746 PolarHBondContact O-N 2.99Å; K744-E747 HydrophobicContact CB-CB 4.37Å; K744-E747 HydrophobicContact CB-CG 4.15Å; K744-E747 PolarHBondContact N-OE2 2.82Å; K744-E747 PolarHBondContact O-N 2.93Å; K744-E747 VanDerWaalsContact O-N 3.13Å; K744-L748 PolarHBondContact O-N 3.34Å; K744-D808 WeakPolarHBondContact CD-OD2 3.43Å; K744-Y810 HydrophobicContact CD-CE1 4.42Å; K744-Y810 VanDerWaalsContact CE-OH 3.3Å; K744-Y810 WeakPolarHBondContact CE-OH 3.14Å; K744-Y810 HydrophobicContact CG-CD1 3.92Å; K744-Y810 HydrophobicContact CG-CE1 3.61Å
745	R	78.8	Confident	74.4	Confident	55 Å²	55	80.3 Å²	80.3	21%	0.208	39%	0.394	C	S	.	.	H	α-helix	trans	-54	-43.7	175.7	179.7	175.6	179.4	151.7	-1.8	112	L748 V749 E774 I777 E789 D808 P809 L811	R745-L748 PolarHBondContact O-N 2.9Å; R745-V749 WeakPolarHBondContact O-CG2 3.4Å; R745-V749 PolarHBondContact O-N 2.77Å; R745-V749 VanDerWaalsContact O-N 3.13Å; R745-E774 PolarHBondContact NH2-O 3.35Å; R745-E774 VanDerWaalsContact NH2-O 3.12Å; R745-I777 HydrophobicContact CG-CG2 4.31Å; R745-E789 IonicContact NH1-OE1 3.25Å; R745-D808 PolarHBondContact N-OD1 3.27Å; R745-P809 PolarHBondContact N-O 2.88Å; R745-P809 VanDerWaalsContact N-O 3.13Å; R745-L811 HydrophobicContact CB-CD1 3.97Å; R745-L811 HydrophobicContact CB-CG 4.46Å; R745-L811 HydrophobicContact CG-CD1 4.22Å
746	S	81.4	Confident	74.9	Confident	48 Å²	48	76.8 Å²	76.8	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-38.2	178.4	64.5	0	0	0	0	113.3	K744 N750 D808	K744-S746 VanDerWaalsContact C-N 3.27Å; K744-S746 PolarHBondContact O-N 2.99Å; S746-N750 WeakPolarHBondContact O-CB 3.37Å; S746-N750 VanDerWaalsContact O-CG 3.23Å; S746-N750 PolarHBondContact O-N 3.45Å; S746-N750 PolarHBondContact O-ND2 3.49Å; S746-N750 VanDerWaalsContact O-ND2 3.09Å; S746-D808 WeakPolarHBondContact CB-OD2 3.25Å; S746-D808 PolarHBondContact N-OD1 2.65Å; S746-D808 PolarHBondContact OG-OD1 3.43Å; S746-D808 PolarHBondContact OG-OD2 3.28Å
747	E	82.2	Confident	75.3	Confident	92 Å²	92	75.3 Å²	75.3	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-69.7	-39.5	178.4	-68.9	171.1	175.2	0	0	111.7	L743 K744 N750 W751	L743-E747 HydrophobicContact CD2-CB 3.76Å; K744-E747 HydrophobicContact CB-CB 4.37Å; K744-E747 HydrophobicContact CB-CG 4.15Å; K744-E747 PolarHBondContact N-OE2 2.82Å; K744-E747 PolarHBondContact O-N 2.93Å; K744-E747 VanDerWaalsContact O-N 3.13Å; E747-N750 PolarHBondContact O-N 3.48Å; E747-W751 WeakPolarHBondContact O-CB 3.45Å; E747-W751 PolarHBondContact O-N 3.37Å
748	L	82.4	Confident	75.8	Confident	2 Å²	2	74 Å²	74	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-41.8	176.1	-175.2	65.6	0	0	0	112.2	I727 L731 K744 R745 W751 Y752 I777 L811	I727-L748 HydrophobicContact CG2-CD1 4.36Å; I727-L748 HydrophobicContact CG2-CD2 3.89Å; L731-L748 HydrophobicContact CD1-CD2 4.24Å; L731-L748 HydrophobicContact CD2-CD1 4.17Å; L731-L748 HydrophobicContact CG-CD1 4.22Å; K744-L748 PolarHBondContact O-N 3.34Å; R745-L748 PolarHBondContact O-N 2.9Å; L748-W751 HydrophobicContact CD1-CE3 4.2Å; L748-W751 PolarHBondContact O-N 2.89Å; L748-Y752 PolarHBondContact O-N 2.7Å; L748-I777 HydrophobicContact CD2-CD1 4.02Å; L748-I777 HydrophobicContact CD2-CG1 4.45Å; L748-I777 HydrophobicContact CG-CD1 4.37Å; L748-L811 HydrophobicContact CD2-CD1 3.72Å
749	V	83.8	Confident	76.6	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.036	37%	0.374	C	S	.	.	H	α-helix	trans	-62.1	-45.4	174.1	170	0	0	0	0	110.7	R745 W751 Y752 L753 K770 I773 E774 I777	R745-V749 WeakPolarHBondContact O-CG2 3.4Å; R745-V749 PolarHBondContact O-N 2.77Å; R745-V749 VanDerWaalsContact O-N 3.13Å; V749-W751 PolarHBondContact O-N 3.09Å; V749-Y752 PolarHBondContact O-N 3.03Å; V749-L753 HydrophobicContact CG1-CD1 4.07Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 3.19Å; V749-K770 HydrophobicContact CG1-CG 4.26Å; V749-I773 HydrophobicContact CG1-CG2 3.85Å; V749-I773 HydrophobicContact CG2-CG2 4.31Å; V749-E774 HydrophobicContact CG2-CG 4.19Å; V749-I777 HydrophobicContact CG2-CD1 3.55Å
750	N	84.1	Confident	77.9	Confident	98 Å²	98	67.1 Å²	67.1	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-38.2	178.7	-72.4	-30.5	0	0	0	112.5	S746 E747 K754	S746-N750 WeakPolarHBondContact O-CB 3.37Å; S746-N750 VanDerWaalsContact O-CG 3.23Å; S746-N750 PolarHBondContact O-N 3.45Å; S746-N750 PolarHBondContact O-ND2 3.49Å; S746-N750 VanDerWaalsContact O-ND2 3.09Å; E747-N750 PolarHBondContact O-N 3.48Å; N750-K754 WeakPolarHBondContact O-CB 3.46Å; N750-K754 PolarHBondContact O-N 3.42Å; N750-K754 VanDerWaalsContact O-N 3.1Å
751	W	87.1	Confident	79.1	Confident	61 Å²	61	65.2 Å²	65.2	23%	0.231	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-49.3	174.5	169.6	82	0	0	0	111.5	H730 E747 L748 V749 L753 K754 E755	H730-W751 HydrophobicContact CB-CE3 4.29Å; H730-W751 HydrophobicContact CB-CH2 3.4Å; H730-W751 HydrophobicContact CB-CZ2 3.65Å; H730-W751 HydrophobicContact CB-CZ3 3.74Å; H730-W751 AromaticContact CD2-CD1 3.98Å; H730-W751 AromaticContact CD2-CD2 3.73Å; H730-W751 AromaticContact CD2-CE2 3.1Å; H730-W751 AromaticContact CD2-CH2 3.94Å; H730-W751 AromaticContact CD2-CZ2 3.24Å; H730-W751 WeakPolarHBondContact CD2-CZ2 3.4Å; H730-W751 AromaticContact CD2-NE1 3.28Å; H730-W751 PolarHBondContact CD2-NE1 3.09Å; H730-W751 VanDerWaalsContact CD2-NE1 3.28Å; H730-W751 AromaticContact CE1-CD1 3.78Å; H730-W751 AromaticContact CE1-CD2 3.69Å; H730-W751 AromaticContact CE1-CE2 3.85Å; H730-W751 AromaticContact CE1-CG 3.71Å; H730-W751 AromaticContact CE1-NE1 3.86Å; H730-W751 AromaticContact CG-CD2 3.73Å; H730-W751 AromaticContact CG-CE2 3.47Å; H730-W751 VanDerWaalsContact CG-CE2 3.47Å; H730-W751 AromaticContact CG-CE3 3.9Å; H730-W751 AromaticContact CG-CH2 3.63Å; H730-W751 AromaticContact CG-CZ2 3.44Å; H730-W751 VanDerWaalsContact CG-CZ2 3.44Å; H730-W751 AromaticContact CG-CZ3 3.85Å; H730-W751 AromaticContact ND1-CD2 3.72Å; H730-W751 AromaticContact ND1-CE2 3.93Å; H730-W751 AromaticContact ND1-CE3 3.87Å; H730-W751 AromaticContact NE2-CD1 3.38Å; H730-W751 AromaticContact NE2-CD2 3.71Å; H730-W751 AromaticContact NE2-CE2 3.38Å; H730-W751 AromaticContact NE2-CG 3.75Å; H730-W751 AromaticContact NE2-NE1 3.13Å; H730-W751 PolarHBondContact NE2-NE1 2.65Å; H730-W751 VanDerWaalsContact NE2-NE1 3.13Å; E747-W751 WeakPolarHBondContact O-CB 3.45Å; E747-W751 PolarHBondContact O-N 3.37Å; L748-W751 HydrophobicContact CD1-CE3 4.2Å; L748-W751 PolarHBondContact O-N 2.89Å; V749-W751 PolarHBondContact O-N 3.09Å; W751-L753 VanDerWaalsContact C-N 3.32Å; W751-L753 PolarHBondContact O-N 3.15Å; W751-K754 WeakPolarHBondContact O-CB 3.36Å; W751-K754 PolarHBondContact O-N 2.76Å; W751-E755 WeakPolarHBondContact CH2-OE2 3.35Å; W751-E755 WeakPolarHBondContact CZ2-OE2 3.36Å; W751-E755 PolarHBondContact O-N 2.97Å
752	Y	83.8	Confident	80.5	Confident	3 Å²	3	65.3 Å²	65.3	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-41.5	179.6	176	-96.3	0	0	0	112	I723 L748 V749 K754 E755 I756 I773	I723-Y752 HydrophobicContact CB-CE2 4.45Å; I723-Y752 VanDerWaalsContact CD1-OH 3.24Å; I723-Y752 WeakPolarHBondContact CD1-OH 3.4Å; I723-Y752 HydrophobicContact CG1-CE2 4.1Å; I723-Y752 VanDerWaalsContact CG1-OH 3.23Å; I723-Y752 WeakPolarHBondContact CG1-OH 3.47Å; I723-Y752 HydrophobicContact CG2-CE2 3.88Å; L748-Y752 PolarHBondContact O-N 2.7Å; V749-Y752 PolarHBondContact O-N 3.03Å; Y752-K754 VanDerWaalsContact C-N 3.26Å; Y752-K754 PolarHBondContact O-N 3.45Å; Y752-E755 PolarHBondContact O-N 3.2Å; Y752-I756 HydrophobicContact CD1-CD1 4.31Å; Y752-I756 HydrophobicContact CD2-CD1 4.09Å; Y752-I756 HydrophobicContact CE1-CD1 3.64Å; Y752-I756 HydrophobicContact CE2-CD1 3.38Å; Y752-I756 HydrophobicContact CE2-CG1 4.44Å; Y752-I756 PolarHBondContact O-N 2.92Å; Y752-I756 WeakPolarHBondContact OH-CD1 3.26Å; Y752-I773 HydrophobicContact CD1-CB 3.81Å; Y752-I773 HydrophobicContact CD1-CD1 3.64Å; Y752-I773 HydrophobicContact CD1-CG1 3.56Å; Y752-I773 HydrophobicContact CD1-CG2 4.2Å; Y752-I773 HydrophobicContact CD2-CD1 3.96Å; Y752-I773 HydrophobicContact CE1-CB 3.93Å; Y752-I773 HydrophobicContact CE1-CD1 3.81Å; Y752-I773 HydrophobicContact CE1-CG1 4.02Å; Y752-I773 HydrophobicContact CE2-CD1 4.11Å; Y752-I773 HydrophobicContact CG-CD1 3.71Å; Y752-I773 HydrophobicContact CG-CG1 3.9Å
753	L	84.5	Confident	81.4	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-31.8	175.5	-70.5	173.1	0	0	0	112.6	V749 W751 E757 K769 K770	V749-L753 HydrophobicContact CG1-CD1 4.07Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 3.19Å; W751-L753 VanDerWaalsContact C-N 3.32Å; W751-L753 PolarHBondContact O-N 3.15Å; L753-E757 PolarHBondContact O-N 3.19Å; L753-K769 HydrophobicContact CD2-CB 4.44Å; L753-K770 HydrophobicContact CD1-CB 4.17Å; L753-K770 HydrophobicContact CD1-CD 4.37Å; L753-K770 HydrophobicContact CD1-CG 4.19Å; L753-K770 HydrophobicContact CD2-CB 4.34Å
754	K	84.8	Confident	81.6	Confident	153 Å²	153	77.9 Å²	77.9	67%	0.665	39%	0.388	S	S	*	.	H	α-helix	trans	-75.2	-36.8	176.8	-171.6	179	-179.4	-178.5	0	112.5	N750 W751 Y752 I756 E757	N750-K754 WeakPolarHBondContact O-CB 3.46Å; N750-K754 PolarHBondContact O-N 3.42Å; N750-K754 VanDerWaalsContact O-N 3.1Å; W751-K754 WeakPolarHBondContact O-CB 3.36Å; W751-K754 PolarHBondContact O-N 2.76Å; Y752-K754 VanDerWaalsContact C-N 3.26Å; Y752-K754 PolarHBondContact O-N 3.45Å; K754-I756 PolarHBondContact O-N 3.06Å; K754-E757 VanDerWaalsContact O-CB 3.28Å; K754-E757 WeakPolarHBondContact O-CB 3.36Å; K754-E757 PolarHBondContact O-N 3.35Å
755	E	82.7	Confident	81.4	Confident	95 Å²	95	78.9 Å²	78.9	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-32.6	177.1	-167.6	174.8	-150.5	0	0	111.8	W751 Y752	W751-E755 WeakPolarHBondContact CH2-OE2 3.35Å; W751-E755 WeakPolarHBondContact CZ2-OE2 3.36Å; W751-E755 PolarHBondContact O-N 2.97Å; Y752-E755 PolarHBondContact O-N 3.2Å
756	I	82.3	Confident	81.5	Confident	12 Å²	12	79.9 Å²	79.9	6%	0.062	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	8.3	-178.7	-60.2	-175.9	0	0	0	111.8	Y752 K754 S758 E759 I760	Y752-I756 HydrophobicContact CD1-CD1 4.31Å; Y752-I756 HydrophobicContact CD2-CD1 4.09Å; Y752-I756 HydrophobicContact CE1-CD1 3.64Å; Y752-I756 HydrophobicContact CE2-CD1 3.38Å; Y752-I756 HydrophobicContact CE2-CG1 4.44Å; Y752-I756 PolarHBondContact O-N 2.92Å; Y752-I756 WeakPolarHBondContact OH-CD1 3.26Å; K754-I756 PolarHBondContact O-N 3.06Å; I756-S758 PolarHBondContact O-N 3.02Å; I756-E759 HydrophobicContact CG2-CB 3.76Å; I756-E759 HydrophobicContact CG2-CG 4.12Å; I756-E759 PolarHBondContact O-N 2.95Å; I756-I760 HydrophobicContact CG2-CG1 4.37Å
757	E	79.8	Confident	81.5	Confident	135 Å²	135	82.7 Å²	82.7	63%	0.631	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-53.4	-32.7	-178.9	-174.4	176.7	-170.8	0	0	112.7	L753 K754 E759 I760	L753-E757 PolarHBondContact O-N 3.19Å; K754-E757 VanDerWaalsContact O-CB 3.28Å; K754-E757 WeakPolarHBondContact O-CB 3.36Å; K754-E757 PolarHBondContact O-N 3.35Å; E757-E759 VanDerWaalsContact C-N 3.29Å; E757-E759 PolarHBondContact O-N 2.85Å; E757-I760 PolarHBondContact O-N 3.48Å
758	S	80.2	Confident	81.3	Confident	109 Å²	109	81.4 Å²	81.4	76%	0.762	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-72.9	-14.1	176.9	58.5	0	0	0	0	115.3	I756	I756-S758 PolarHBondContact O-N 3.02Å
759	E	73.6	Confident	81.3	Confident	108 Å²	108	83.8 Å²	83.8	51%	0.505	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-102.2	0.9	178.6	-52.3	-174.3	168.8	0	0	112.5	I756 E757	I756-E759 HydrophobicContact CG2-CB 3.76Å; I756-E759 HydrophobicContact CG2-CG 4.12Å; I756-E759 PolarHBondContact O-N 2.95Å; E757-E759 VanDerWaalsContact C-N 3.29Å; E757-E759 PolarHBondContact O-N 2.85Å
760	I	79.4	Confident	81.3	Confident	33 Å²	33	87.6 Å²	87.6	17%	0.169	44%	0.436	C	S	.	.			trans	-106	104.4	-176.6	-59.2	169.6	0	0	0	109.1	I756 E757 S762 L766	I756-I760 HydrophobicContact CG2-CG1 4.37Å; E757-I760 PolarHBondContact O-N 3.48Å; I760-S762 WeakPolarHBondContact CG2-O 3.1Å; I760-L766 HydrophobicContact CG2-CB 3.87Å; I760-L766 HydrophobicContact CG2-CD1 4.43Å; I760-L766 HydrophobicContact CG2-CG 4.49Å
761	D	76.7	Confident	81.1	Confident	156 Å²	156	88.2 Å²	88.2	83%	0.834	43%	0.431	S	S	*	.			trans	-96	-16.6	-179.2	-71.1	-35.8	0	0	0	112.6	E765	D761-E765 PolarHBondContact N-OE2 3.18Å
762	S	87.1	Confident	80.9	Confident	48 Å²	48	86 Å²	86	34%	0.336	42%	0.424	S	S	.	.	S	Bend	trans	-136.9	153.7	-175.9	70.3	0	0	0	0	115.2	I760 E764 E765 L766	I760-S762 WeakPolarHBondContact CG2-O 3.1Å; S762-E764 VanDerWaalsContact C-N 3.29Å; S762-E764 PolarHBondContact O-N 3.41Å; S762-E765 PolarHBondContact N-OE2 2.82Å; S762-E765 PolarHBondContact O-N 3.47Å; S762-E765 WeakPolarHBondContact OG-CB 3.29Å; S762-E765 VanDerWaalsContact OG-CD 3.23Å; S762-E765 WeakPolarHBondContact OG-CG 3.41Å; S762-E765 PolarHBondContact OG-N 3.37Å; S762-E765 PolarHBondContact OG-OE2 3.47Å; S762-L766 PolarHBondContact O-N 3.44Å
763	E	79.5	Confident	80.9	Confident	163 Å²	163	86 Å²	86	76%	0.762	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-32.9	176.4	-170.1	175.1	-175.2	0	0	112.2	L766 I767	E763-L766 PolarHBondContact O-N 3.24Å; E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 3.14Å
764	E	78.8	Confident	80.8	Confident	165 Å²	165	88.4 Å²	88.4	77%	0.771	43%	0.434	S	S	*	.	H	α-helix	trans	-67.6	-39.1	175.7	-67.1	-175	174.9	0	0	112.1	S762 I767 N768	S762-E764 VanDerWaalsContact C-N 3.29Å; S762-E764 PolarHBondContact O-N 3.41Å; E764-I767 PolarHBondContact O-N 2.9Å; E764-N768 WeakPolarHBondContact O-CB 3.34Å; E764-N768 PolarHBondContact O-N 3.34Å
765	E	77.6	Confident	80.6	Confident	90 Å²	90	84.1 Å²	84.1	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-36.7	175.7	-77.6	167.6	160.1	0	0	112.3	D761 S762 N768 K769	D761-E765 PolarHBondContact N-OE2 3.18Å; S762-E765 PolarHBondContact N-OE2 2.82Å; S762-E765 PolarHBondContact O-N 3.47Å; S762-E765 WeakPolarHBondContact OG-CB 3.29Å; S762-E765 VanDerWaalsContact OG-CD 3.23Å; S762-E765 WeakPolarHBondContact OG-CG 3.41Å; S762-E765 PolarHBondContact OG-N 3.37Å; S762-E765 PolarHBondContact OG-OE2 3.47Å; E765-N768 PolarHBondContact O-N 3.18Å; E765-K769 WeakPolarHBondContact O-CB 3.43Å; E765-K769 WeakPolarHBondContact O-CG 3.33Å; E765-K769 PolarHBondContact O-N 3.28Å
766	L	79.4	Confident	80.5	Confident	76 Å²	76	79.6 Å²	79.6	40%	0.398	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-47.2	175.4	-168.2	151.8	0	0	0	111	I760 S762 E763 N768 K769 K770	I760-L766 HydrophobicContact CG2-CB 3.87Å; I760-L766 HydrophobicContact CG2-CD1 4.43Å; I760-L766 HydrophobicContact CG2-CG 4.49Å; S762-L766 PolarHBondContact O-N 3.44Å; E763-L766 PolarHBondContact O-N 3.24Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 3.41Å; L766-K769 PolarHBondContact O-N 3.24Å; L766-K770 VanDerWaalsContact O-CB 3.31Å; L766-K770 WeakPolarHBondContact O-CB 3.25Å; L766-K770 PolarHBondContact O-N 3.08Å
767	I	81.4	Confident	80.6	Confident	107 Å²	107	79 Å²	79	55%	0.549	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-41.1	177.8	-65.3	166.7	0	0	0	110.4	E763 E764 R771	E763-I767 WeakPolarHBondContact O-CG1 3.38Å; E763-I767 PolarHBondContact O-N 3.14Å; E764-I767 PolarHBondContact O-N 2.9Å; I767-R771 WeakPolarHBondContact O-CB 3.34Å; I767-R771 PolarHBondContact O-N 3.09Å
768	N	79.4	Confident	80.5	Confident	65 Å²	65	75.3 Å²	75.3	35%	0.348	37%	0.374	S	S	.	.	H	α-helix	trans	-68.8	-44.1	-179.6	-161.3	25	0	0	0	112.3	L713 E764 E765 L766 R771 I772	L713-N768 WeakPolarHBondContact CD2-OD1 3.46Å; E764-N768 WeakPolarHBondContact O-CB 3.34Å; E764-N768 PolarHBondContact O-N 3.34Å; E765-N768 PolarHBondContact O-N 3.18Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 3.41Å; N768-R771 PolarHBondContact O-N 3.48Å; N768-R771 PolarHBondContact OD1-NH2 2.95Å; N768-I772 VanDerWaalsContact O-CG1 3.32Å; N768-I772 WeakPolarHBondContact O-CG1 3.33Å; N768-I772 PolarHBondContact O-N 2.84Å
769	K	80.7	Confident	80.2	Confident	52 Å²	52	73.7 Å²	73.7	23%	0.226	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-37.1	176.8	-72	-73.3	-176.4	175.1	0	111.7	E719 L753 E765 L766 I772 I773	E719-K769 IonicContact OE1-NZ 2.97Å; E719-K769 PolarHBondContact OE1-NZ 3.13Å; L753-K769 HydrophobicContact CD2-CB 4.44Å; E765-K769 WeakPolarHBondContact O-CB 3.43Å; E765-K769 WeakPolarHBondContact O-CG 3.33Å; E765-K769 PolarHBondContact O-N 3.28Å; L766-K769 PolarHBondContact O-N 3.24Å; K769-I772 HydrophobicContact CD-CD1 4.47Å; K769-I772 PolarHBondContact O-N 3.25Å; K769-I773 WeakPolarHBondContact O-CG2 3.4Å; K769-I773 PolarHBondContact O-N 3.03Å
770	K	83.7	Confident	80.5	Confident	86 Å²	86	68.6 Å²	68.6	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-44.8	171	-176	175.2	177	179.7	0	112	V749 L753 L766 I772 I773 E774	V749-K770 HydrophobicContact CG1-CG 4.26Å; L753-K770 HydrophobicContact CD1-CB 4.17Å; L753-K770 HydrophobicContact CD1-CD 4.37Å; L753-K770 HydrophobicContact CD1-CG 4.19Å; L753-K770 HydrophobicContact CD2-CB 4.34Å; L766-K770 VanDerWaalsContact O-CB 3.31Å; L766-K770 WeakPolarHBondContact O-CB 3.25Å; L766-K770 PolarHBondContact O-N 3.08Å; K770-I772 VanDerWaalsContact C-N 3.34Å; K770-I772 PolarHBondContact O-N 3.47Å; K770-I773 WeakPolarHBondContact O-CG2 3.44Å; K770-I773 PolarHBondContact O-N 2.92Å; K770-E774 WeakPolarHBondContact CE-OE1 3.36Å; K770-E774 WeakPolarHBondContact O-CG 3.48Å; K770-E774 PolarHBondContact O-N 2.77Å; K770-E774 VanDerWaalsContact O-N 3.12Å
771	R	81.7	Confident	80.3	Confident	110 Å²	110	67.5 Å²	67.5	42%	0.415	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-37.4	177.1	-170	172.5	60.8	149.5	6.7	112.3	L713 I767 N768 K775	L713-R771 HydrophobicContact CD1-CG 3.9Å; L713-R771 VanDerWaalsContact CG-NH2 3.25Å; I767-R771 WeakPolarHBondContact O-CB 3.34Å; I767-R771 PolarHBondContact O-N 3.09Å; N768-R771 PolarHBondContact O-N 3.48Å; N768-R771 PolarHBondContact OD1-NH2 2.95Å; R771-K775 WeakPolarHBondContact O-CG 3.5Å; R771-K775 PolarHBondContact O-N 2.82Å
772	I	81.9	Confident	80	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.082	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-50.5	176.5	-71	165.3	0	0	0	110.6	L666 L713 L715 N768 K769 K770 E774 K775 V776	L666-I772 HydrophobicContact CD1-CG2 4.48Å; L713-I772 HydrophobicContact CD2-CD1 4.32Å; L713-I772 HydrophobicContact CD2-CG1 3.94Å; L715-I772 HydrophobicContact CD1-CG2 3.83Å; L715-I772 HydrophobicContact CD2-CG2 4.09Å; N768-I772 VanDerWaalsContact O-CG1 3.32Å; N768-I772 WeakPolarHBondContact O-CG1 3.33Å; N768-I772 PolarHBondContact O-N 2.84Å; K769-I772 HydrophobicContact CD-CD1 4.47Å; K769-I772 PolarHBondContact O-N 3.25Å; K770-I772 VanDerWaalsContact C-N 3.34Å; K770-I772 PolarHBondContact O-N 3.47Å; I772-E774 PolarHBondContact O-N 3.11Å; I772-K775 PolarHBondContact O-N 3.02Å; I772-V776 HydrophobicContact CG2-CG2 4.25Å; I772-V776 VanDerWaalsContact O-CG2 3.31Å; I772-V776 WeakPolarHBondContact O-CG2 3.43Å; I772-V776 PolarHBondContact O-N 2.62Å
773	I	84.5	Confident	79	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-39	-177	-171	67.1	0	0	0	112.2	I723 I727 V749 Y752 K769 K770 K775 V776 I777	I723-I773 HydrophobicContact CG2-CD1 3.55Å; I727-I773 HydrophobicContact CD1-CD1 3.65Å; I727-I773 HydrophobicContact CG1-CD1 4.39Å; V749-I773 HydrophobicContact CG1-CG2 3.85Å; V749-I773 HydrophobicContact CG2-CG2 4.31Å; Y752-I773 HydrophobicContact CD1-CB 3.81Å; Y752-I773 HydrophobicContact CD1-CD1 3.64Å; Y752-I773 HydrophobicContact CD1-CG1 3.56Å; Y752-I773 HydrophobicContact CD1-CG2 4.2Å; Y752-I773 HydrophobicContact CD2-CD1 3.96Å; Y752-I773 HydrophobicContact CE1-CB 3.93Å; Y752-I773 HydrophobicContact CE1-CD1 3.81Å; Y752-I773 HydrophobicContact CE1-CG1 4.02Å; Y752-I773 HydrophobicContact CE2-CD1 4.11Å; Y752-I773 HydrophobicContact CG-CD1 3.71Å; Y752-I773 HydrophobicContact CG-CG1 3.9Å; K769-I773 WeakPolarHBondContact O-CG2 3.4Å; K769-I773 PolarHBondContact O-N 3.03Å; K770-I773 WeakPolarHBondContact O-CG2 3.44Å; K770-I773 PolarHBondContact O-N 2.92Å; I773-K775 VanDerWaalsContact C-N 3.3Å; I773-K775 PolarHBondContact O-N 2.83Å; I773-V776 PolarHBondContact O-N 3.45Å; I773-I777 HydrophobicContact CG1-CD1 4.06Å; I773-I777 HydrophobicContact CG1-CG1 4.46Å; I773-I777 WeakPolarHBondContact O-CG1 3.43Å; I773-I777 PolarHBondContact O-N 3.47Å
774	E	82.4	Confident	78.4	Confident	76 Å²	76	64.4 Å²	64.4	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-39	176.2	-77.2	173.2	180	0	0	112.2	R745 V749 K770 I772 H778	R745-E774 PolarHBondContact NH2-O 3.35Å; R745-E774 VanDerWaalsContact NH2-O 3.12Å; V749-E774 HydrophobicContact CG2-CG 4.19Å; K770-E774 WeakPolarHBondContact CE-OE1 3.36Å; K770-E774 WeakPolarHBondContact O-CG 3.48Å; K770-E774 PolarHBondContact O-N 2.77Å; K770-E774 VanDerWaalsContact O-N 3.12Å; I772-E774 PolarHBondContact O-N 3.11Å; E774-H778 WeakPolarHBondContact O-CB 3.27Å; E774-H778 PolarHBondContact O-N 2.73Å; E774-H778 VanDerWaalsContact O-N 3.14Å
775	K	80.2	Confident	78	Confident	64 Å²	64	62.2 Å²	62.2	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-72.6	-36.6	175	-72.5	-166.1	172.3	-147.6	0	113	L666 D667 L713 R771 I772 I773 H778 R779	L666-K775 HydrophobicContact CB-CB 4.44Å; L666-K775 HydrophobicContact CB-CD 3.91Å; L666-K775 HydrophobicContact CD1-CB 4.4Å; L666-K775 HydrophobicContact CD2-CB 4.28Å; L666-K775 PolarHBondContact O-NZ 3.4Å; D667-K775 IonicContact OD1-NZ 3.51Å; D667-K775 PolarHBondContact OD1-NZ 3.04Å; L713-K775 HydrophobicContact CD1-CD 4.3Å; R771-K775 WeakPolarHBondContact O-CG 3.5Å; R771-K775 PolarHBondContact O-N 2.82Å; I772-K775 PolarHBondContact O-N 3.02Å; I773-K775 VanDerWaalsContact C-N 3.3Å; I773-K775 PolarHBondContact O-N 2.83Å; K775-H778 PolarHBondContact O-N 3.31Å; K775-R779 PolarHBondContact O-N 2.77Å
776	V	81.3	Confident	77.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-45.6	175.1	169.1	0	0	0	0	110.7	L666 L715 Y720 I723 I727 I772 I773 H778 R779 L780	L666-V776 HydrophobicContact CD2-CG2 4.48Å; L715-V776 HydrophobicContact CD2-CG2 3.65Å; Y720-V776 HydrophobicContact CD2-CG1 4.09Å; Y720-V776 HydrophobicContact CD2-CG2 3.98Å; Y720-V776 HydrophobicContact CE2-CB 4.4Å; Y720-V776 HydrophobicContact CE2-CG1 3.82Å; Y720-V776 HydrophobicContact CE2-CG2 4.2Å; I723-V776 HydrophobicContact CG2-CG1 3.9Å; I727-V776 HydrophobicContact CD1-CG1 4.41Å; I772-V776 HydrophobicContact CG2-CG2 4.25Å; I772-V776 VanDerWaalsContact O-CG2 3.31Å; I772-V776 WeakPolarHBondContact O-CG2 3.43Å; I772-V776 PolarHBondContact O-N 2.62Å; I773-V776 PolarHBondContact O-N 3.45Å; V776-H778 PolarHBondContact O-N 3.18Å; V776-R779 PolarHBondContact O-N 3.17Å; V776-L780 HydrophobicContact CG1-CD1 3.89Å; V776-L780 HydrophobicContact CG1-CG 4.39Å; V776-L780 WeakPolarHBondContact O-CG 3.48Å; V776-L780 PolarHBondContact O-N 3.42Å
777	I	82.5	Confident	77.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-45.5	176.3	-68.8	168.7	0	0	0	110.8	I727 R745 L748 V749 I773 R779 L780 T781 L811	I727-I777 HydrophobicContact CD1-CG1 4.24Å; R745-I777 HydrophobicContact CG-CG2 4.31Å; L748-I777 HydrophobicContact CD2-CD1 4.02Å; L748-I777 HydrophobicContact CD2-CG1 4.45Å; L748-I777 HydrophobicContact CG-CD1 4.37Å; V749-I777 HydrophobicContact CG2-CD1 3.55Å; I773-I777 HydrophobicContact CG1-CD1 4.06Å; I773-I777 HydrophobicContact CG1-CG1 4.46Å; I773-I777 WeakPolarHBondContact O-CG1 3.43Å; I773-I777 PolarHBondContact O-N 3.47Å; I777-R779 VanDerWaalsContact C-N 3.28Å; I777-R779 PolarHBondContact O-N 3.17Å; I777-L780 PolarHBondContact O-N 3.46Å; I777-T781 WeakPolarHBondContact O-CG2 3.44Å; I777-T781 PolarHBondContact O-N 3.42Å; I777-T781 PolarHBondContact O-OG1 2.88Å; I777-L811 HydrophobicContact CG2-CD1 3.71Å
778	H	77.9	Confident	77.6	Confident	57 Å²	57	53.3 Å²	53.3	26%	0.264	24%	0.24	S	C	.	.	H	α-helix	trans	-57.8	-39.4	176	-177.6	-96.9	0	0	0	112.7	E669 E774 K775 V776 T781 H782	E669-H778 IonicContact OE1-CE1 3.82Å; E669-H778 IonicContact OE1-ND1 3.72Å; E774-H778 WeakPolarHBondContact O-CB 3.27Å; E774-H778 PolarHBondContact O-N 2.73Å; E774-H778 VanDerWaalsContact O-N 3.14Å; K775-H778 PolarHBondContact O-N 3.31Å; V776-H778 PolarHBondContact O-N 3.18Å; H778-T781 PolarHBondContact O-OG1 3.44Å; H778-H782 AromaticContact CD2-CD2 3.39Å; H778-H782 PolarHBondContact CD2-CD2 2.97Å; H778-H782 AromaticContact CD2-NE2 3.76Å; H778-H782 AromaticContact CE1-CD2 3.89Å; H778-H782 AromaticContact CG-CD2 3.92Å; H778-H782 AromaticContact NE2-CD2 3.39Å; H778-H782 PolarHBondContact NE2-CD2 3.16Å; H778-H782 AromaticContact NE2-NE2 3.81Å; H778-H782 PolarHBondContact O-CD2 3.1Å; H778-H782 PolarHBondContact O-N 2.76Å; H778-H782 VanDerWaalsContact O-N 3.07Å
779	R	74.1	Confident	77.5	Confident	74 Å²	74	53.3 Å²	53.3	28%	0.279	24%	0.238	S	C	.	.	H	α-helix	trans	-69.7	-40.9	176.8	-173.6	177.5	174.3	124.9	-3.9	112.6	K775 V776 I777 T781 Y783 D784	K775-R779 PolarHBondContact O-N 2.77Å; V776-R779 PolarHBondContact O-N 3.17Å; I777-R779 VanDerWaalsContact C-N 3.28Å; I777-R779 PolarHBondContact O-N 3.17Å; R779-T781 VanDerWaalsContact C-N 3.27Å; R779-T781 PolarHBondContact O-N 3.48Å; R779-Y783 HydrophobicContact CG-CD2 4.35Å; R779-Y783 PolarHBondContact O-N 2.92Å; R779-D784 PolarHBondContact O-N 2.73Å; R779-D784 VanDerWaalsContact O-N 3.13Å
780	L	79.4	Confident	77	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-29.4	177.8	-72.5	170.5	0	0	0	112.7	I727 V776 I777 H785 V786 L787	I727-L780 HydrophobicContact CD1-CD1 4.07Å; V776-L780 HydrophobicContact CG1-CD1 3.89Å; V776-L780 HydrophobicContact CG1-CG 4.39Å; V776-L780 WeakPolarHBondContact O-CG 3.48Å; V776-L780 PolarHBondContact O-N 3.42Å; I777-L780 PolarHBondContact O-N 3.46Å; L780-H785 PolarHBondContact O-N 3.48Å; L780-V786 HydrophobicContact CD2-CB 4.04Å; L780-V786 HydrophobicContact CD2-CG1 4.43Å; L780-V786 HydrophobicContact CD2-CG2 4.1Å; L780-V786 PolarHBondContact O-N 3.02Å; L780-L787 HydrophobicContact CB-CD1 3.85Å; L780-L787 HydrophobicContact CB-CG 4.06Å; L780-L787 HydrophobicContact CD1-CD1 4.19Å; L780-L787 PolarHBondContact O-N 3.27Å; L780-L787 VanDerWaalsContact O-N 3.14Å
781	T	76.1	Confident	76.2	Confident	10 Å²	10	55 Å²	55	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-81.7	-52.4	176.2	55.3	0	0	0	0	112.6	I777 H778 R779 H785 L787 E789 L811	I777-T781 WeakPolarHBondContact O-CG2 3.44Å; I777-T781 PolarHBondContact O-N 3.42Å; I777-T781 PolarHBondContact O-OG1 2.88Å; H778-T781 PolarHBondContact O-OG1 3.44Å; R779-T781 VanDerWaalsContact C-N 3.27Å; R779-T781 PolarHBondContact O-N 3.48Å; T781-H785 PolarHBondContact O-ND1 3.06Å; T781-L787 WeakPolarHBondContact CA-O 3.41Å; T781-L787 HydrophobicContact CG2-CB 3.69Å; T781-L787 HydrophobicContact CG2-CD1 4.48Å; T781-E789 HydrophobicContact CG2-CG 3.87Å; T781-L811 HydrophobicContact CG2-CD2 3.57Å
782	H	70.9	Confident	74.8	Confident	91 Å²	91	56.8 Å²	56.8	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-89.1	-28.1	-168.7	-66.9	-69	0	0	0	115.7	H778 H785	H778-H782 AromaticContact CD2-CD2 3.39Å; H778-H782 PolarHBondContact CD2-CD2 2.97Å; H778-H782 AromaticContact CD2-NE2 3.76Å; H778-H782 AromaticContact CE1-CD2 3.89Å; H778-H782 AromaticContact CG-CD2 3.92Å; H778-H782 AromaticContact NE2-CD2 3.39Å; H778-H782 PolarHBondContact NE2-CD2 3.16Å; H778-H782 AromaticContact NE2-NE2 3.81Å; H778-H782 PolarHBondContact O-CD2 3.1Å; H778-H782 PolarHBondContact O-N 2.76Å; H778-H782 VanDerWaalsContact O-N 3.07Å; H782-H785 PolarHBondContact O-CE1 3.37Å
783	Y	66.7	Low	73.2	Confident	140 Å²	140	59.7 Å²	59.7	55%	0.549	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-52.6	-173.8	-68	-85.8	0	0	0	113	E669 R779 H785	E669-Y783 PolarHBondContact OE1-OH 3.06Å; R779-Y783 HydrophobicContact CG-CD2 4.35Å; R779-Y783 PolarHBondContact O-N 2.92Å; Y783-H785 VanDerWaalsContact C-N 3.28Å; Y783-H785 PolarHBondContact O-N 3.45Å
784	D	66.2	Low	71	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-83.2	-10.9	-175.4	-64.4	-16.6	0	0	0	111.8	Y720 R779 V786	Y720-D784 PolarHBondContact OH-OD2 3.1Å; R779-D784 PolarHBondContact O-N 2.73Å; R779-D784 VanDerWaalsContact O-N 3.13Å; D784-V786 HydrophobicContact CB-CG2 3.86Å; D784-V786 PolarHBondContact O-N 3.12Å
785	H	69.9	Low	69.3	Low	118 Å²	118	68.1 Å²	68.1	55%	0.546	36%	0.358	S	S	.	.			trans	49.3	31.3	179.6	-58.2	-49.8	0	0	0	114.1	L780 T781 H782 Y783 N814	L780-H785 PolarHBondContact O-N 3.48Å; T781-H785 PolarHBondContact O-ND1 3.06Å; H782-H785 PolarHBondContact O-CE1 3.37Å; Y783-H785 VanDerWaalsContact C-N 3.28Å; Y783-H785 PolarHBondContact O-N 3.45Å; H785-N814 WeakPolarHBondContact O-CB 3.46Å; H785-N814 PolarHBondContact O-ND2 3.34Å
786	V	74.8	Confident	67.2	Low	9 Å²	9	74.7 Å²	74.7	6%	0.055	39%	0.387	C	S	.	.			trans	-79.8	-34.6	177.7	179.6	0	0	0	0	110	V728 L780 D784 N814 Y817	V728-V786 HydrophobicContact CG2-CG1 3.72Å; L780-V786 HydrophobicContact CD2-CB 4.04Å; L780-V786 HydrophobicContact CD2-CG1 4.43Å; L780-V786 HydrophobicContact CD2-CG2 4.1Å; L780-V786 PolarHBondContact O-N 3.02Å; D784-V786 HydrophobicContact CB-CG2 3.86Å; D784-V786 PolarHBondContact O-N 3.12Å; V786-N814 WeakPolarHBondContact O-CB 3.43Å; V786-N814 PolarHBondContact O-N 3.25Å; V786-Y817 HydrophobicContact CG1-CD1 3.9Å; V786-Y817 HydrophobicContact CG1-CD2 4.11Å; V786-Y817 HydrophobicContact CG1-CE1 3.94Å; V786-Y817 HydrophobicContact CG1-CE2 4.15Å; V786-Y817 HydrophobicContact CG1-CG 3.99Å; V786-Y817 HydrophobicContact CG2-CD2 3.93Å; V786-Y817 HydrophobicContact CG2-CE2 3.73Å
787	L	76.9	Confident	65	Low	3 Å²	3	77.7 Å²	77.7	2%	0.016	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.3	177.3	-60.8	178.5	0	0	0	110.5	I727 L731 L780 T781 V812 V813	I727-L787 HydrophobicContact CG2-CD1 4.28Å; L731-L787 HydrophobicContact CD1-CD2 3.43Å; L731-L787 VanDerWaalsContact CD1-CD2 3.43Å; L780-L787 HydrophobicContact CB-CD1 3.85Å; L780-L787 HydrophobicContact CB-CG 4.06Å; L780-L787 HydrophobicContact CD1-CD1 4.19Å; L780-L787 PolarHBondContact O-N 3.27Å; L780-L787 VanDerWaalsContact O-N 3.14Å; T781-L787 WeakPolarHBondContact CA-O 3.41Å; T781-L787 HydrophobicContact CG2-CB 3.69Å; T781-L787 HydrophobicContact CG2-CD1 4.48Å; L787-V812 CarbonylContact C-O 3.59Å; L787-V812 WeakPolarHBondContact CA-O 3.47Å; L787-V813 HydrophobicContact CD2-CG2 4.08Å
788	I	77.6	Confident	63.1	Low	74 Å²	74	83.4 Å²	83.4	38%	0.379	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.3	176.2	-58.3	174.6	0	0	0	108.1	V812 N814	I788-V812 PolarHBondContact N-O 2.92Å; I788-V812 PolarHBondContact O-N 2.92Å; I788-N814 HydrophobicContact CD1-CB 4.39Å
789	E	77.9	Confident	60.7	Low	66 Å²	66	87.3 Å²	87.3	31%	0.308	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.3	171.4	-69.3	-179.8	175.3	0	0	109.7	R745 T781 P809 Y810 L811	R745-E789 IonicContact NH1-OE1 3.25Å; T781-E789 HydrophobicContact CG2-CG 3.87Å; E789-P809 HydrophobicContact CB-CB 4.17Å; E789-P809 HydrophobicContact CG-CB 4.27Å; E789-P809 HydrophobicContact CG-CG 4.1Å; E789-Y810 CarbonylContact C-O 3.59Å; E789-Y810 WeakPolarHBondContact CA-O 3.01Å; E789-L811 HydrophobicContact CG-CD2 3.69Å
790	L	71.4	Confident	59.1	Low	85 Å²	85	93.5 Å²	93.5	45%	0.445	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118	173.1	-65.9	174.3	0	0	0	109.2	Y810 V812	L790-Y810 PolarHBondContact N-O 3.46Å; L790-Y810 PolarHBondContact O-N 3.25Å; L790-V812 HydrophobicContact CD1-CB 4.34Å; L790-V812 HydrophobicContact CD1-CG2 3.49Å; L790-V812 VanDerWaalsContact CD1-CG2 3.49Å; L790-V812 HydrophobicContact CG-CG2 4.31Å
791	T	65.6	Low	57	Low	87 Å²	87	96.6 Å²	96.6	53%	0.534	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-88.2	151.5	170.3	53.6	0	0	0	0	110.4	A793 E806	T791-A793 PolarHBondContact O-N 3.42Å; T791-E806 WeakPolarHBondContact CA-OE2 3.09Å; T791-E806 WeakPolarHBondContact CB-OE2 2.88Å
792	Q	52.8	Low	54.8	Low	148 Å²	148	101.9 Å²	101.9	69%	0.692	59%	0.588	S	S	*	*	S	Bend	trans	-64.4	-5.7	-177.6	-85.1	-170.6	-20.9	0	0	114.5	G794 E806 Y810	Q792-G794 PolarHBondContact O-N 2.99Å; Q792-E806 PolarHBondContact N-OE2 3.24Å; Q792-Y810 HydrophobicContact CG-CE2 4.22Å
793	A	48	Very low	53.1	Low	78 Å²	78	105 Å²	105	65%	0.645	60%	0.602	S	S	*	*	S	Bend	trans	-90.6	95.8	177.8	0	0	0	0	0	111.2	T791	T791-A793 PolarHBondContact O-N 3.42Å
794	G	38.8	Very low	51.7	Low	65 Å²	65	103.4 Å²	103.4	67%	0.67	61%	0.612	S	S	*	*			trans	-52	139.3	174.9	0	0	0	0	0	114.1	Q792 K796	Q792-G794 PolarHBondContact O-N 2.99Å; G794-K796 PolarHBondContact O-N 2.99Å; G794-K796 VanDerWaalsContact O-N 3.08Å
795	L	46.6	Very low	50.6	Low	189 Å²	189	109.2 Å²	109.2	99%	0.99	63%	0.63	S	S	*	*			trans	15	78.4	158.9	-82.9	136	0	0	0	115.8
796	K	35.2	Very low	49.7	Very low	202 Å²	202	107.7 Å²	107.7	88%	0.878	62%	0.623	S	S	*	*			trans	-114.1	117.5	155.1	-89.7	-174.6	176.8	177.2	0	109.3	G794	G794-K796 PolarHBondContact O-N 2.99Å; G794-K796 VanDerWaalsContact O-N 3.08Å
797	G	35.8	Very low	48.9	Very low	63 Å²	63	116.7 Å²	116.7	65%	0.649	66%	0.664	S	S	*	*			trans	-59.4	136	176	0	0	0	0	0	112.1	T799	G797-T799 PolarHBondContact O-N 3.3Å
798	S	41.7	Very low	48.7	Very low	120 Å²	120	119 Å²	119	84%	0.839	68%	0.676	S	S	*	*			trans	25.2	92.1	152.2	59.4	0	0	0	0	116.2
799	T	28	Very low	48.6	Very low	139 Å²	139	116 Å²	116	85%	0.853	66%	0.662	S	S	*	*			trans	-154.5	123.1	145.4	-2.7	0	0	0	0	109.3	G797	G797-T799 PolarHBondContact O-N 3.3Å
800	E	41.1	Very low	48.7	Very low	203 Å²	203	115.7 Å²	115.7	95%	0.949	66%	0.659	S	S	*	*			trans	-59.5	137.6	180	-64.6	170.4	155.3	0	0	111.8
801	G	35.2	Very low	49	Very low	68 Å²	68	111.8 Å²	111.8	70%	0.701	64%	0.638	S	S	*	*			trans	131.1	114.6	161.4	0	0	0	0	0	114.6
802	S	30.5	Very low	49.6	Very low	121 Å²	121	109.6 Å²	109.6	85%	0.846	63%	0.625	S	S	*	*			trans	87.5	83.5	174.2	68.4	0	0	0	0	117.1	S804	S802-S804 PolarHBondContact O-N 3.42Å
803	E	34.5	Very low	50.8	Low	156 Å²	156	102.9 Å²	102.9	73%	0.729	59%	0.593	S	S	*	*			trans	-70	100.9	159.4	-72.3	-179.9	177.1	0	0	109.1	Y805	E803-Y805 PolarHBondContact OE2-OH 3.39Å; E803-Y805 VanDerWaalsContact OE2-OH 3.11Å
804	S	36.4	Very low	52.2	Low	106 Å²	106	101 Å²	101	74%	0.741	57%	0.573	S	S	*	*			trans	-81.7	107.6	154.4	54	0	0	0	0	107.2	S802 E806	S802-S804 PolarHBondContact O-N 3.42Å; S804-E806 PolarHBondContact O-N 3.19Å
805	Y	43.4	Very low	53.5	Low	194 Å²	194	103.3 Å²	103.3	76%	0.761	58%	0.576	S	S	*	*			trans	-59.4	106	170.9	-65.3	-79.5	0	0	0	108.8	E803 E807	E803-Y805 PolarHBondContact OE2-OH 3.39Å; E803-Y805 VanDerWaalsContact OE2-OH 3.11Å; Y805-E807 PolarHBondContact O-N 3.05Å
806	E	52.5	Low	54.3	Low	86 Å²	86	101.2 Å²	101.2	40%	0.402	57%	0.565	S	S	.	*			trans	-68.1	120.7	162.5	-81.3	-174.7	152.6	0	0	107.1	T791 Q792 S804 D808	T791-E806 WeakPolarHBondContact CA-OE2 3.09Å; T791-E806 WeakPolarHBondContact CB-OE2 2.88Å; Q792-E806 PolarHBondContact N-OE2 3.24Å; S804-E806 PolarHBondContact O-N 3.19Å; E806-D808 PolarHBondContact O-N 3.46Å; E806-D808 VanDerWaalsContact O-N 3.09Å
807	E	57.5	Low	55.9	Low	198 Å²	198	94.7 Å²	94.7	93%	0.925	54%	0.536	S	S	*	.	S	Bend	trans	-66	-9.4	-173.4	-73.2	-177.2	156.3	0	0	114.2	Y805	Y805-E807 PolarHBondContact O-N 3.05Å
808	D	71.3	Confident	57	Low	50 Å²	50	98.6 Å²	98.6	27%	0.267	54%	0.541	S	S	.	.	S	Bend	trans	-153.4	81	-177.9	-161.9	17.1	0	0	0	112.6	K744 R745 S746 E806	K744-D808 WeakPolarHBondContact CD-OD2 3.43Å; R745-D808 PolarHBondContact N-OD1 3.27Å; S746-D808 WeakPolarHBondContact CB-OD2 3.25Å; S746-D808 PolarHBondContact N-OD1 2.65Å; S746-D808 PolarHBondContact OG-OD1 3.43Å; S746-D808 PolarHBondContact OG-OD2 3.28Å; E806-D808 PolarHBondContact O-N 3.46Å; E806-D808 VanDerWaalsContact O-N 3.09Å
809	P	75.8	Confident	57.7	Low	13 Å²	13	95.3 Å²	95.3	8%	0.084	51%	0.514	C	S	.	.			trans	-75.1	157.3	-178.4	30.3	-34.3	0	0	0	112.8	R745 E789	R745-P809 PolarHBondContact N-O 2.88Å; R745-P809 VanDerWaalsContact N-O 3.13Å; E789-P809 HydrophobicContact CB-CB 4.17Å; E789-P809 HydrophobicContact CG-CB 4.27Å; E789-P809 HydrophobicContact CG-CG 4.1Å
810	Y	80	Confident	58.7	Low	59 Å²	59	97.2 Å²	97.2	23%	0.231	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.8	172.9	-69	-79.9	0	0	0	110.6	A742 K744 E789 L790 Q792	A742-Y810 HydrophobicContact CB-CD1 3.61Å; A742-Y810 HydrophobicContact CB-CE1 4.45Å; A742-Y810 HydrophobicContact CB-CG 4Å; A742-Y810 WeakPolarHBondContact O-CD1 3.16Å; A742-Y810 WeakPolarHBondContact O-CE1 3.45Å; K744-Y810 HydrophobicContact CD-CE1 4.42Å; K744-Y810 VanDerWaalsContact CE-OH 3.3Å; K744-Y810 WeakPolarHBondContact CE-OH 3.14Å; K744-Y810 HydrophobicContact CG-CD1 3.92Å; K744-Y810 HydrophobicContact CG-CE1 3.61Å; E789-Y810 CarbonylContact C-O 3.59Å; E789-Y810 WeakPolarHBondContact CA-O 3.01Å; L790-Y810 PolarHBondContact N-O 3.46Å; L790-Y810 PolarHBondContact O-N 3.25Å; Q792-Y810 HydrophobicContact CG-CE2 4.22Å
811	L	79.4	Confident	58.4	Low	3 Å²	3	99 Å²	99	2%	0.016	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.6	-177.7	-65.2	171.4	0	0	0	111.1	L743 R745 L748 I777 T781 E789	L743-L811 PolarHBondContact O-N 2.85Å; R745-L811 HydrophobicContact CB-CD1 3.97Å; R745-L811 HydrophobicContact CB-CG 4.46Å; R745-L811 HydrophobicContact CG-CD1 4.22Å; L748-L811 HydrophobicContact CD2-CD1 3.72Å; I777-L811 HydrophobicContact CG2-CD1 3.71Å; T781-L811 HydrophobicContact CG2-CD2 3.57Å; E789-L811 HydrophobicContact CG-CD2 3.69Å
812	V	77.3	Confident	59.5	Low	41 Å²	41	100.6 Å²	100.6	25%	0.248	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.6	177.4	178.3	0	0	0	0	109.8	E735 A742 L787 I788 L790	E735-V812 WeakPolarHBondContact OE1-CG1 3.23Å; A742-V812 HydrophobicContact CB-CG2 4.49Å; L787-V812 CarbonylContact C-O 3.59Å; L787-V812 WeakPolarHBondContact CA-O 3.47Å; I788-V812 PolarHBondContact N-O 2.92Å; I788-V812 PolarHBondContact O-N 2.92Å; L790-V812 HydrophobicContact CD1-CB 4.34Å; L790-V812 HydrophobicContact CD1-CG2 3.49Å; L790-V812 VanDerWaalsContact CD1-CG2 3.49Å; L790-V812 HydrophobicContact CG-CG2 4.31Å
813	V	78.5	Confident	61	Low	6 Å²	6	99.5 Å²	99.5	4%	0.036	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.5	178.7	-178.9	0	0	0	0	110.3	V728 L731 E735 L787 P815	V728-V813 HydrophobicContact CG1-CG1 4.09Å; V728-V813 HydrophobicContact CG1-CG2 4.43Å; L731-V813 HydrophobicContact CB-CG2 3.51Å; L731-V813 HydrophobicContact CD1-CG2 3.87Å; L731-V813 HydrophobicContact CG-CG2 4.36Å; E735-V813 PolarHBondContact OE1-N 3.12Å; L787-V813 HydrophobicContact CD2-CG2 4.08Å; V813-P815 WeakPolarHBondContact O-CD 3.09Å
814	N	76.2	Confident	62.5	Low	40 Å²	40	96.4 Å²	96.4	21%	0.214	49%	0.491	C	S	.	.			trans	-61.7	124.8	175.4	-171	-27.4	0	0	0	110.8	H785 V786 I788 N816 Y817	H785-N814 WeakPolarHBondContact O-CB 3.46Å; H785-N814 PolarHBondContact O-ND2 3.34Å; V786-N814 WeakPolarHBondContact O-CB 3.43Å; V786-N814 PolarHBondContact O-N 3.25Å; I788-N814 HydrophobicContact CD1-CB 4.39Å; N814-N816 PolarHBondContact O-N 3.26Å; N814-N816 PolarHBondContact OD1-N 3.26Å; N814-Y817 WeakPolarHBondContact O-CB 3Å; N814-Y817 PolarHBondContact O-N 3.47Å
815	P	67	Low	64.1	Low	112 Å²	112	95.8 Å²	95.8	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.4	-177.6	-25.1	32.7	0	0	0	114.9	V813	V813-P815 WeakPolarHBondContact O-CD 3.09Å
816	N	63.9	Low	65.3	Low	145 Å²	145	89.7 Å²	89.7	78%	0.775	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4	-178.5	-69.5	-33.5	0	0	0	113.9	N814	N814-N816 PolarHBondContact O-N 3.26Å; N814-N816 PolarHBondContact OD1-N 3.26Å
817	Y	68.1	Low	66.2	Low	65 Å²	65	89.9 Å²	89.9	26%	0.255	46%	0.462	S	S	.	.			trans	-78.9	123.8	179.5	-172.7	-106.7	0	0	0	110.1	V728 R732 V786 N814 L819	V728-Y817 HydrophobicContact CG1-CD1 4.11Å; V728-Y817 HydrophobicContact CG1-CE1 4.11Å; V728-Y817 HydrophobicContact CG2-CD1 4.45Å; V728-Y817 HydrophobicContact CG2-CE1 4.09Å; R732-Y817 PolarHBondContact NH2-O 2.82Å; V786-Y817 HydrophobicContact CG1-CD1 3.9Å; V786-Y817 HydrophobicContact CG1-CD2 4.11Å; V786-Y817 HydrophobicContact CG1-CE1 3.94Å; V786-Y817 HydrophobicContact CG1-CE2 4.15Å; V786-Y817 HydrophobicContact CG1-CG 3.99Å; V786-Y817 HydrophobicContact CG2-CD2 3.93Å; V786-Y817 HydrophobicContact CG2-CE2 3.73Å; N814-Y817 WeakPolarHBondContact O-CB 3Å; N814-Y817 PolarHBondContact O-N 3.47Å; Y817-L819 HydrophobicContact CE1-CD2 4.29Å
818	L	59.7	Low	66.8	Low	146 Å²	146	82.2 Å²	82.2	76%	0.764	43%	0.429	S	S	*	.			trans	-108.5	131.4	173.4	-69.1	170.4	0	0	0	108.1	E820	L818-E820 PolarHBondContact O-N 3.35Å
819	L	55.3	Low	66.5	Low	50 Å²	50	84.7 Å²	84.7	26%	0.262	44%	0.442	S	S	.	.			trans	-66.9	127.3	172.9	-73.4	158.4	0	0	0	108	V728 L729 Y817	V728-L819 HydrophobicContact CB-CD2 4.4Å; V728-L819 HydrophobicContact CG1-CD1 4.44Å; V728-L819 HydrophobicContact CG1-CD2 4Å; V728-L819 HydrophobicContact CG1-CG 4.29Å; L729-L819 HydrophobicContact CD2-CD1 3.76Å; L729-L819 HydrophobicContact CG-CD1 4.21Å; Y817-L819 HydrophobicContact CE1-CD2 4.29Å
820	E	48.5	Very low	65.7	Low	179 Å²	179	90.7 Å²	90.7	84%	0.836	47%	0.472	S	S	*	.			trans	-77.5	128.1	165	-69.5	-173.3	156.7	0	0	108	L818	L818-E820 PolarHBondContact O-N 3.35Å
821	D	34.6	Very low	64.4	Low	242 Å²	242	93.5 Å²	93.5	100%	1.294	49%	0.494	S	S	*	.			trans	-63.5	0	179.2	-78.1	-31.8	0	0	0	113.6

Retrieved 821 of 821 residues in 4383.1 ms (Link to these results)

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